\n \n
\n \n \n
\n \n \n \n \n \n \n \n \n \n { tcolumn }\n \n \n { tbody }\n \n
\n \n { this.renderMessageModal() }\n { this.renderNewUserModal() }\n { this.renderEditUserModal() }\n
\n );\n }\n}\n","import React from 'react';\nimport { Button, ButtonGroup, Popover, OverlayTrigger } from 'react-bootstrap';\nimport AdminFetcher from '../components/fetchers/AdminFetcher';\n\nexport default class DeleteGroupDeviceButton extends React.Component {\n constructor(props) {\n super(props);\n this.state = {\n groups: props.currentState.groups,\n devices: props.currentState.devices\n };\n\n this.onChangeGroupData = this.onChangeGroupData.bind(this);\n this.onChangeDeviceData = this.onChangeDeviceData.bind(this);\n }\n\n componentDidMount() {\n }\n\n onChangeGroupData = (groups) => {\n this.props.onChangeGroupData(groups);\n }\n\n onChangeDeviceData = (devices) => {\n this.props.onChangeDeviceData(devices);\n }\n\n confirmDelete(rootType, actionType, groupRec, userRec, isRoot = false) {\n const { groups, devices } = this.state;\n const rmUsers = userRec == null ? [] : [userRec.id];\n\n const params = {\n action: isRoot ? 'RootDel' : 'NodeDel',\n rootType,\n actionType,\n id: groupRec.id,\n destroy_obj: isRoot,\n rm_users: rmUsers\n };\n\n AdminFetcher.updateGroup(params)\n .then((result) => {\n switch (rootType) {\n case 'Group':\n this.onChangeGroupData();\n break;\n case 'Device':\n this.onChangeDeviceData();\n break;\n default:\n break;\n }\n });\n }\n\n render() {\n const {rootType, actionType, groupRec, userRec, isRoot} = this.props;\n let msg = 'remove yourself from the group';\n if (rootType === 'Group' && isRoot) {\n msg = `remove group: ${groupRec.name}`;\n } else if (rootType === 'Device' && isRoot) {\n msg = `remove device: ${groupRec.name}`;\n } else if (rootType === 'Group' && !isRoot && actionType === 'Person') {\n msg = `remove user: ${userRec.name} from group: ${groupRec.name} ?`;\n } else if (rootType === 'Group' && !isRoot && actionType === 'Device') {\n msg = `remove device: ${userRec.name} from group: ${groupRec.name} ?`;\n } else if (rootType === 'Device' && !isRoot) {\n msg = `remove user: ${userRec.name} from group: ${groupRec.name} ?`;\n } else {\n msg = `remove ???: ${groupRec.name}`;\n }\n\n const popover = (\n \n
\n \n \n
\n | {i + 1} | \n{u.name} | \n{u.initials} | \n{u.email} | \n{groupElement.admins && groupElement.admins.filter(a => (a.id === u.id)).length > 0 ? adminIcon : ''} | \n{this.renderGroupUserButtons(groupElement, u)} | \n
| {i + 1} | \n{u.name} | \n{u.initials} | \n{ } | \n{ } | \n\n | \n
\n
| {i + 1} | \n{u.name} | \n{u.initials} | \n{u.type} | \n{ } | \n
| # | \nActions | \nName | \nKürzel | \nAdmin by | \n
|---|
| # | \nActions | \nName | \nKürzel | \n
|---|
\n { this.renderGroups() }\n { this.renderDevices() }\n { this.renderModal() }\n { this.renderCreateModal() }\n { this.renderDeviceMetadataModal() }\n
\n );\n }\n}\n","import React from 'react';\nimport ReactDOM from 'react-dom';\nimport { FormGroup, ControlLabel, FormControl, Button, Panel } from 'react-bootstrap';\nimport Select from 'react-select';\n\nimport MessagesFetcher from '../components/fetchers/MessagesFetcher';\n\nexport default class MessagePublish extends React.Component {\n constructor(props) {\n super(props);\n this.state = {\n channels: [],\n selectedChannel: null,\n };\n this.toggleChannelList = this.toggleChannelList.bind(this);\n this.handleChannelChange = this.handleChannelChange.bind(this);\n this.messageSend = this.messageSend.bind(this);\n }\n\n componentDidMount() {\n this.toggleChannelList();\n }\n\n handleChannelChange(selectedChannel) {\n if (selectedChannel) {\n this.setState({ selectedChannel });\n }\n }\n\n toggleChannelList() {\n MessagesFetcher.fetchChannels(9)\n .then((result) => {\n const channels = result.channels.map(c =>\n ({ value: c.id, name: c.subject, label: c.subject }));\n channels.sort((a, b) => (a.value - b.value));\n this.setState({ channels });\n });\n }\n\n messageSend() {\n const { selectedChannel } = this.state;\n\n if (!selectedChannel) {\n alert('Please select channel!');\n } else {\n const params = {\n channel_id: selectedChannel.value,\n content: this.myMessage.value,\n };\n\n MessagesFetcher.createMessage(params)\n .then((result) => {\n this.myMessage.value = '';\n alert('Message sent!');\n });\n }\n }\n\n render() {\n const { selectedChannel, channels } = this.state;\n\n return (\n \n \n \n \n \n
\n );\n }\n}\ndocument.addEventListener('DOMContentLoaded', () => {\n const domElement = document.getElementById('MsgPub');\n if (domElement) { ReactDOM.render(\n Channel \n
\n \n \n
\n \n
\n );\n\nListLocalCollector.propTypes = {\n localCollector: PropTypes.arrayOf(PropTypes.object).isRequired\n};\n\nconst DropdownSelection = props =>\n (\n Local Collector Dir Configurtaion
\n {\n props.localCollector.map((c, i) => (\n\n \n \n \n \n \n \n \n \n \n
\n ))\n }\n \n \n \n \n Data Collector\n \n \n \n \n { tcolumn }\n \n \n { tbody }\n \n
\n \n { this.renderConfiModal() }\n
\n );\n }\n}\n","import React from 'react';\nimport { Row, Col, DropdownButton, MenuItem } from 'react-bootstrap';\nimport TreeSelect from 'antd/lib/tree-select';\nimport Tree from 'antd/lib/tree';\nimport { ButtonToolbar, Button } from 'react-bootstrap';\nimport Dropzone from 'react-dropzone';\n\nimport UsersFetcher from '../components/fetchers/UsersFetcher';\nimport AdminFetcher from '../components/fetchers/AdminFetcher';\nimport CollapsePanel from 'antd/lib/collapse/CollapsePanel';\nimport { difference } from 'lodash';\n\nconst checkItem = (enableIds, disableIds, enable, idkey, checkStrictly) => {\n if (enable === true) {\n if (!enableIds.includes(idkey)) {\n enableIds.push(idkey);\n }\n if (disableIds.includes(idkey)) {\n disableIds = disableIds.filter(r => r !== idkey);\n }\n } else {\n if (enableIds.includes(idkey)) {\n enableIds = enableIds.filter(r => r !== idkey);\n }\n if (!disableIds.includes(idkey)) {\n disableIds.push(idkey);\n }\n }\n return { enableIds, disableIds };\n};\n\n\nexport default class OlsTerms extends React.Component {\n constructor(props) {\n super(props);\n this.state = {\n file: null,\n selectName: '',\n expandedKeys: [],\n autoExpandParent: true,\n checkStrictly: true,\n checkedKeys: [],\n orgCheckedKeys: [],\n enableIds: [],\n disableIds: [],\n list: []\n };\n this.initialOls = this.initialOls.bind(this);\n this.onExpand = this.onExpand.bind(this);\n this.onCheck = this.onCheck.bind(this);\n this.handleSaveBtn = this.handleSaveBtn.bind(this);\n this.handleSelectName = this.handleSelectName.bind(this);\n this.handleAssociateBtn = this.handleAssociateBtn.bind(this);\n }\n\n componentDidMount() {\n // this.initialOls(this.state.selectName);\n }\n\n handleFileDrop(attach) {\n this.setState({ file: attach[0] });\n }\n\n handleAttachmentRemove() {\n this.setState({ file: null });\n }\n\n handleClick() {\n const { file } = this.state;\n AdminFetcher.importOlsTerms(file);\n }\n\n dropzoneOrfilePreview() {\n const { file } = this.state;\n return file ? (\n \n {file.name}\n \n
\n ) : (\n \n Drop File, or Click to Select.\n
\n \n );\n }\n\n addToChecked(cks, parent) {\n if (parent.is_enabled === true) { cks.push(parent.value); }\n (parent.children || []).map((node) => {\n node.key = node.value;\n this.addToChecked(cks, node);\n });\n return cks;\n }\n\n initialOls(selectName) {\n let checkedKeys = [];\n if (selectName == null && selectName === '') { return; }\n UsersFetcher.fetchOls(selectName, false)\n .then((result) => {\n (result.ols_terms || []).map((a) => {\n a.key = a.value;\n checkedKeys = this.addToChecked(checkedKeys, a);\n });\n this.setState({\n expandedKeys: checkedKeys,\n orgCheckedKeys: checkedKeys,\n list: result.ols_terms,\n checkedKeys,\n });\n });\n }\n\n onExpand(expandedKeys) {\n this.setState({\n expandedKeys,\n autoExpandParent: false,\n });\n }\n\n onCheck(checkedKeys, e) {\n const { checkStrictly, orgCheckedKeys } = this.state;\n const checkedObj = (checkStrictly === true) ? checkedKeys.checked : checkedKeys;\n const disableIds = difference(orgCheckedKeys, checkedObj);\n const enableIds = difference(checkedObj, orgCheckedKeys);\n\n this.setState({ checkedKeys, enableIds, disableIds });\n }\n\n handleSelectName(olsName) {\n this.setState({\n selectName: olsName,\n enableIds: [],\n disableIds: []\n });\n this.initialOls(olsName);\n }\n\n\n handleSaveBtn() {\n const { enableIds, disableIds } = this.state;\n AdminFetcher.olsTermDisableEnable({ owl_name: this.state.selectName, enableIds, disableIds })\n .then((result) => {\n if (result === true) {\n alert('update successfully!');\n this.setState({ enableIds: [], disableIds: [] });\n this.initialOls(this.state.selectName);\n } else {\n alert('update error, please check system log!');\n }\n });\n }\n\n handleAssociateBtn() {\n this.setState({ checkStrictly: !this.state.checkStrictly });\n }\n\n render() {\n return (\n {this.state.selectName}
\n
\n \n enable list
\n {this.state.enableIds.join('\\n')}\ndisable list
\n {this.state.disableIds.join('\\n')}\n\n
\n
RFB Credentials
\n\n \n \n \n NoVNC Settings\n \n \n \n \n { tcolumn }\n \n \n { tbody }\n \n
\n \n { this.renderConfiModal() }\n
\n );\n }\n}\n","import React from 'react';\nimport { Panel, Table, FormGroup, Checkbox, FormControl, Button, Modal, Col, Form, Tooltip, OverlayTrigger, InputGroup } from 'react-bootstrap';\nimport uuid from 'uuid';\nimport Select from 'react-select';\nimport JSONInput from 'react-json-editor-ajrm';\nimport AdminFetcher from '../components/fetchers/AdminFetcher';\nimport NotificationActions from '../components/actions/NotificationActions';\n\nconst editTooltip = | # | \nActions | \nID | \nFunction name | \nDescription | \nSet globally | \nEnabled for | \nDisabled for | \n
|---|
\n \n
\n \n \n
\n \n {this.renderList()}\n {this.renderEditModal()}\n {this.renderJsonModal()}\n
\n );\n }\n}","import PropTypes from 'prop-types';\nimport React from 'react';\nimport { Button } from 'react-bootstrap';\n\nconst ActionHeaderBtn = ({ addRow }) => (\n \n
\n \n
\n \n
\n \n
\n \n \n Preview\n \n \n
\n \n \n
\n \n \n
\n \n
\n \n \n \n
\n \n
\n );\n }\n}\n\nGroupFields.propTypes = {\n layerKey: PropTypes.string.isRequired,\n field: PropTypes.object.isRequired,\n updSub: PropTypes.func.isRequired,\n unitsFields: PropTypes.arrayOf(PropTypes.object).isRequired,\n};\n","/* eslint-disable react/forbid-prop-types */\nimport React from 'react';\nimport PropTypes from 'prop-types';\nimport GridSelect from './GridSelect';\n\nconst LayerSelect = (props) => {\n const { allLayers, selLayer, node } = props;\n const all = allLayers.map(e => ({ key: e.key, val: e.key, lab: e.key }));\n const dVal = node.data.layer;\n return \n Input Group: \n define the fields which are grouped together and display as one field;
\n note: 'System-Defined' represents the Unit field which\n has one input field and one unit converter.\n
\n \n note: 'System-Defined' represents the Unit field which\n has one input field and one unit converter.\n
\n
\n \n
\n );\n }\n}\n\nTextFormula.propTypes = {\n layerKey: PropTypes.string.isRequired,\n field: PropTypes.object.isRequired,\n updSub: PropTypes.func.isRequired,\n allLayers: PropTypes.arrayOf(PropTypes.object)\n};\n\nTextFormula.defaultProps = { allLayers: [] };\n","/* eslint-disable react/forbid-prop-types */\nimport React from 'react';\nimport PropTypes from 'prop-types';\nimport GridSelect from './GridSelect';\n\nconst TypeSelect = (props) => {\n const { all, selType, node } = props;\n const dVal = node.data.type;\n return \n Text-Formula: \n select the text fields which are combined together with separator\n
\n \n
\n \n
\n );\n }\n}\n\nTableDef.propTypes = {\n genericType: PropTypes.string.isRequired,\n layerKey: PropTypes.string.isRequired,\n field: PropTypes.object.isRequired,\n updSub: PropTypes.func.isRequired,\n unitsFields: PropTypes.arrayOf(PropTypes.object).isRequired,\n};\n","/* eslint-disable react/forbid-prop-types */\nimport React, { Component } from 'react';\nimport PropTypes from 'prop-types';\nimport { Button, Popover, Col, Checkbox, Panel, Form, ButtonGroup, OverlayTrigger, FormGroup, FormControl, ControlLabel, InputGroup } from 'react-bootstrap';\nimport Select from 'react-select';\nimport uuid from 'uuid';\nimport { ButtonTooltip, genUnitSup } from '../../admin/generic/Utils';\nimport GroupFields from './GroupFields';\nimport TextFormula from '../generic/TextFormula';\nimport TableDef from '../generic/TableDef';\n\nconst BaseFieldTypes = [\n { value: 'integer', name: 'integer', label: 'Integer' },\n { value: 'text', name: 'text', label: 'Text' },\n { value: 'textarea', name: 'textarea', label: 'Text area' },\n { value: 'select', name: 'select', label: 'Select' },\n { value: 'checkbox', name: 'checkbox', label: 'Checkbox' },\n { value: 'system-defined', name: 'system-defined', label: 'System-Defined' },\n { value: 'formula-field', name: 'formula-field', label: 'Formula-Field' },\n];\n\nconst ElementFieldTypes = [\n { value: 'drag_molecule', name: 'drag_molecule', label: 'Drag Molecule' },\n { value: 'drag_sample', name: 'drag_sample', label: 'Drag Sample' },\n { value: 'input-group', name: 'input-group', label: 'Input Group' },\n { value: 'text-formula', name: 'text-formula', label: 'Text-Formula' },\n { value: 'table', name: 'table', label: 'Table' },\n { value: 'upload', name: 'upload', label: 'Upload' },\n];\n\nconst SegmentFieldTypes = [\n { value: 'input-group', name: 'input-group', label: 'Input Group' },\n { value: 'text-formula', name: 'text-formula', label: 'Text-Formula' },\n { value: 'drag_molecule', name: 'drag_molecule', label: 'Drag Molecule' },\n { value: 'table', name: 'table', label: 'Table' },\n { value: 'upload', name: 'upload', label: 'Upload' },\n];\n\nclass ElementField extends Component {\n constructor(props) {\n super(props);\n this.handleChange = this.handleChange.bind(this);\n this.handleDrop = this.handleDrop.bind(this);\n this.handelDelete = this.handelDelete.bind(this);\n this.handleMove = this.handleMove.bind(this);\n this.handleAddDummy = this.handleAddDummy.bind(this);\n this.handleCond = this.handleCond.bind(this);\n this.updSubField = this.updSubField.bind(this);\n }\n\n updSubField(layerKey, field, cb) {\n this.props.onFieldSubFieldChange(layerKey, field, cb);\n }\n\n handleChange(e, orig, fe, lk, fc, tp) {\n if ((tp === 'select' || tp === 'system-defined') && e === null) { return; }\n this.props.onChange(e, orig, fe, lk, fc, tp);\n }\n\n handleMove(element) {\n const { l, f, isUp } = element;\n this.props.onMove(l, f, isUp);\n }\n\n handleAddDummy(element) {\n this.props.onDummyAdd(element);\n }\n\n handleCond(field, lk) {\n this.props.onShowFieldCond(field, lk);\n //this.setState({ showFieldRestriction: true, element: element });\n }\n\n handelDelete(delStr, delKey, delRoot) {\n this.props.onDelete(delStr, delKey, delRoot);\n }\n\n handleDrop(e) {\n this.props.onDrop(e);\n }\n\n availableUnits(val) {\n const { unitsSystem } = this.props;\n const us = (unitsSystem.fields || []).find(e => e.field === val);\n if (us === undefined) return null;\n const tbl = us.units.map(e => (\n Table: \n define a table with the column type as drag_molecule, drag_sample(only available\n for generic element), text or system-defined;
\n note: drag_sample stands for Sample and contains at least its image and\n short label information; system-defined represents the unit field, which\n has an input field and a unit converter.\n
\n \n note: drag_sample stands for Sample and contains at least its image and\n short label information; system-defined represents the unit field, which\n has an input field and a unit converter.\n
\n
\n {genUnitSup(e.label)}
));\n const popover = (\n {tbl}
\n
\n \n \n
\n \n \n this.handleChange(event, f.label, f.field, this.props.layerKey, 'formula', 'text')}\n />\n \n
\n \n \n \n this.handleChange(event, f.option_layers, f.field, layerKey, 'option_layers', f.type)}\n />\n \n {f.type === 'select' ? null : this.availableUnits(f.option_layers)}\n
\n \n \n \n \n \n {this.props.position} \n {['dummy'].includes(f.type) ? '(dummy field)' : f.field}\n \n \n {btnCond}\n \n \n \n \n \n \n \n \n
\n );\n }\n\n render() { return No content
;\n }\n});\n\nexport { Content, TipActive, TipInActive, TipDelete };\n","import React, { Component } from 'react';\nimport PropTypes from 'prop-types';\nimport { Form, FormGroup, Modal, Button } from 'react-bootstrap';\nimport { Content } from './AttrForm';\n\nexport default class AttrNewModal extends Component {\n constructor(props) {\n super(props);\n this.formRef = React.createRef();\n }\n\n handleCreate() {\n const { fnCreate, content } = this.props;\n switch (content) {\n case 'Segment': {\n const element = {\n label: this.formRef.current.k_label.value.trim(),\n desc: this.formRef.current.k_desc.value.trim(),\n element_klass: this.formRef.current.k_klass.value\n };\n fnCreate(element);\n break;\n }\n case 'Element': {\n const element = {\n name: this.formRef.current.k_name.value.trim(),\n label: this.formRef.current.k_label.value.trim(),\n klass_prefix: this.formRef.current.k_prefix.value.trim(),\n icon_name: this.formRef.current.k_iconname.value.trim(),\n desc: this.formRef.current.k_desc.value.trim()\n };\n fnCreate(element);\n break;\n }\n default:\n console.log(`Warning: ${content} is not supported.`);\n }\n }\n\n render() {\n const { content, showModal, fnClose } = this.props;\n return (\n \n
\n \n
\n \n
\n \n Field Restriction: \n when a restriction has been set, the {lafi} is hidden, it shows only when the [Layer,Field,Value] got matched;\n if there are more than one setting, the {lafi} shows when one of them got matched.\n
\n \n available field type: \n checkbox (true/false), select, text\n
\n \n
\n \n
\n \n \n
\n \n \n \n \n \n \n
\n \n \n \n \n \n \n
\n \n \n \n \n \n \n \n
\n \n Drop File, or Click to Select.\n
\n \n \n
\n \n \n
\n \n \n \n {f.key} \n this.onOptionInputChange(event, key, f.key)}\n />\n \n {this.renderDeleteButton('Option', f.key, key)}\n \n \n \n
\n ));\n\n const snode = (\n \n \n \n \n {this.renderDeleteButton('Select', key, null)}\n \n this.onInputNewOption(e)}\n placeholder=\"Input new option\"\n bsSize=\"sm\"\n />\n \n Add new option}>\n \n \n \n \n \n
\n \n \n \n \n Select Lists\n Add new select list}>\n \n \n \n \n \n \n \n
\n );\n }\n\n renderProperties() {\n const { element, selectOptions, unitsSystem } = this.state;\n const layers = [];\n const sortedLayers = sortBy(element.properties_template.layers, l => l.position);\n (sortedLayers || []).forEach((layer) => {\n const layerKey = `${layer.key}`;\n const fields = ((layer && layer.fields) || []).map((f, idx) => (\n \n { selects }\n
\n \n \n \n \n {btnCond}\n \n this.onInputNewField(e)}\n placeholder=\"Input new field name\"\n bsSize=\"sm\"\n />\n \n \n \n \n
\n \n \n \n \n Layers\n Add new layer}>\n \n \n \n \n \n
\n );\n }\n\n renderPropPanel() {\n const {\n element, showPropModal, revisions, propTabKey\n } = this.state;\n if (showPropModal) {\n return (\n { layers }
| # | \nActions | \nElement | \nPrefix | \nActive | \nElement Label | \nIcon | \nDescription | \nTemplate | \nReleased at | \n
|---|
\n \n \n
\n
\n );\n }\n}\n","import React from 'react';\nimport { Panel, Table, FormGroup, Popover, FormControl, Button, Row, Col, Badge, Tooltip, OverlayTrigger, InputGroup, Tabs, Tab } from 'react-bootstrap';\nimport uuid from 'uuid';\nimport Clipboard from 'clipboard';\nimport { findIndex, filter, sortBy, orderBy } from 'lodash';\nimport LoadingModal from '../components/common/LoadingModal';\nimport AdminFetcher from '../components/fetchers/AdminFetcher';\nimport { ElementField } from '../components/elements/ElementField';\nimport LoadingActions from '../components/actions/LoadingActions';\nimport AttrNewModal from './generic/AttrNewModal';\nimport AttrEditModal from './generic/AttrEditModal';\nimport AttrCopyModal from './generic/AttrCopyModal';\nimport FieldCondEditModal from './generic/FieldCondEditModal';\nimport TemplateJsonModal from './generic/TemplateJsonModal';\nimport LayerAttrEditModal from './generic/LayerAttrEditModal';\nimport LayerAttrNewModal from './generic/LayerAttrNewModal';\nimport SelectAttrNewModal from './generic/SelectAttrNewModal';\nimport UploadModal from './generic/UploadModal';\nimport { ButtonTooltip, validateLayerInput, validateSelectList, notification, reUnit, GenericDummy } from '../admin/generic/Utils';\nimport Preview from './generic/Preview';\n\nconst validateField = field => (/^[a-zA-Z0-9_]*$/g.test(field));\nconst validateInput = (element) => {\n if (element.klass_element === '') {\n notification({ title: 'Create Segment Error', lvl: 'error', msg: 'Please select Element.' });\n return false;\n }\n if (element.label === '') {\n notification({ title: 'Create Segment Error', lvl: 'error', msg: 'Please input Segment Label.' });\n return false;\n }\n return true;\n};\n\nexport default class SegmentElementAdmin extends React.Component {\n constructor(props) {\n super(props);\n this.state = {\n elements: [],\n element: {},\n newFieldKey: '',\n newOptionKey: '',\n layerKey: '',\n selectOptions: [],\n unitsSystem: {},\n showPropModal: false,\n showNewLayer: false,\n showEditLayer: false,\n showAddSelect: false,\n showNewKlass: false,\n showEditKlass: false,\n showCopyKlass: false,\n showFieldCond: false,\n showUpload: false,\n showJson: false,\n propTabKey: 1\n };\n\n this.clipboard = new Clipboard('.clipboardBtn');\n this.fetchElements = this.fetchElements.bind(this);\n this.handlePropShow = this.handlePropShow.bind(this);\n this.handlePropClose = this.handlePropClose.bind(this);\n this.onInputNewField = this.onInputNewField.bind(this);\n this.onInputNewOption = this.onInputNewOption.bind(this);\n this.addLayer = this.addLayer.bind(this);\n this.addSelection = this.addSelection.bind(this);\n this.editLayer = this.editLayer.bind(this);\n this.newKlass = this.newKlass.bind(this);\n this.editKlass = this.editKlass.bind(this);\n this.copyKlass = this.copyKlass.bind(this);\n this.newField = this.newField.bind(this);\n this.newOption = this.newOption.bind(this);\n this.handleSelectClose = this.handleSelectClose.bind(this);\n this.handleNewLayerClose = this.handleNewLayerClose.bind(this);\n this.handleLayerClose = this.handleLayerClose.bind(this);\n this.handleNewKlassClose = this.handleNewKlassClose.bind(this);\n this.handleKlassClose = this.handleKlassClose.bind(this);\n this.handleCopyKlassClose = this.handleCopyKlassClose.bind(this);\n this.handleCreateLayer = this.handleCreateLayer.bind(this);\n this.handleUpdateLayer = this.handleUpdateLayer.bind(this);\n this.handleCreateKlass = this.handleCreateKlass.bind(this);\n this.handleUpdateKlass = this.handleUpdateKlass.bind(this);\n this.handleActivateKlass = this.handleActivateKlass.bind(this);\n this.handleDeleteKlass = this.handleDeleteKlass.bind(this);\n this.handleAddSelect = this.handleAddSelect.bind(this);\n this.onDummyAdd = this.onDummyAdd.bind(this);\n this.onFieldDrop = this.onFieldDrop.bind(this);\n this.onFieldMove = this.onFieldMove.bind(this);\n this.onShowFieldCond = this.onShowFieldCond.bind(this);\n this.handleFieldCondClose = this.handleFieldCondClose.bind(this);\n this.onFieldInputChange = this.onFieldInputChange.bind(this);\n this.onOptionInputChange = this.onOptionInputChange.bind(this);\n this.showJsonModal = this.showJsonModal.bind(this);\n this.hideJsonModal = this.hideJsonModal.bind(this);\n this.handleUpdateJson = this.handleUpdateJson.bind(this);\n this.fetchConfigs = this.fetchConfigs.bind(this);\n this.handleCond = this.handleCond.bind(this);\n this.onFieldSubFieldChange = this.onFieldSubFieldChange.bind(this);\n this.handleSubmit = this.handleSubmit.bind(this);\n this.propTabSelect = this.propTabSelect.bind(this);\n this.retriveRevision = this.retriveRevision.bind(this);\n this.delRevision = this.delRevision.bind(this);\n this.fetchRevisions = this.fetchRevisions.bind(this);\n this.handleUploadShow = this.handleUploadShow.bind(this);\n this.handleUploadClose = this.handleUploadClose.bind(this);\n this.handleUploadTemplate = this.handleUploadTemplate.bind(this);\n }\n\n componentDidMount() {\n this.fetchElements();\n this.fetchConfigs();\n }\n\n componentWillUnmount() {\n this.clipboard.destroy();\n }\n\n onOptionInputChange(event, selectKey, optionKey) {\n const { element } = this.state;\n const options = (element &&\n element.properties_template && element.properties_template.select_options[selectKey]\n && element.properties_template.select_options[selectKey].options) || [];\n const idx = findIndex(options, o => o.key === optionKey);\n const op = {};\n op.key = optionKey;\n op.label = event.target.value;\n options.splice(idx, 1, op);\n this.setState({ element });\n }\n\n onDummyAdd(e) {\n const { element } = this.state;\n const layer = (element && element.properties_template\n && element.properties_template.layers[e.l]);\n let { fields } = layer || {};\n fields = fields || [];\n let idx = fields.findIndex(o => o.field === e.f);\n if (idx === -1 && fields.length > 0) idx = fields.length - 1;\n fields.splice(idx + 1, 0, new GenericDummy());\n element.properties_template.layers[e.l].fields = fields;\n this.setState({ element });\n }\n\n onShowFieldCond(field, lk) {\n this.setState({ showFieldCond: true, fieldObj: field, layerKey: lk });\n }\n\n onFieldDrop(e) {\n const { element } = this.state;\n const sourceKey = e.sourceTag.layerKey;\n const targetKey = e.targetTag.layerKey;\n const sourceLayer = element.properties_template.layers[sourceKey];\n const targetLayer = element.properties_template.layers[targetKey];\n\n if (sourceLayer && targetLayer) {\n e.sourceTag.field.position = e.targetTag.field.position - 1;\n const { fields } = element.properties_template.layers[sourceKey];\n const idx = findIndex(fields, o => o.field === e.sourceTag.field.field);\n fields.splice(idx, 1, e.sourceTag.field);\n element.properties_template.layers[sourceKey].fields = fields;\n this.setState({ element });\n }\n }\n\n onFieldMove(l, f, isUp) {\n const { element } = this.state;\n const layer = (element && element.properties_template && element.properties_template.layers[l]);\n const { fields } = layer;\n const idx = findIndex(fields, o => o.field === f);\n if (idx >= 0 && isUp) {\n const curObj = fields[idx];\n curObj.position -= 1;\n const preObj = fields[idx - 1];\n preObj.position += 1;\n fields[idx] = preObj;\n fields[idx - 1] = curObj;\n } else if (idx < (fields.length - 1) && !isUp) {\n const curObj = fields[idx];\n curObj.position += 1;\n const nexObj = fields[idx + 1];\n nexObj.position -= 1;\n fields[idx] = nexObj;\n fields[idx + 1] = curObj;\n }\n element.properties_template.layers[l].fields = fields;\n this.setState({ element });\n }\n\n onFieldSubFieldChange(lk, f, cb) {\n const { element } = this.state;\n const layer = (element && element.properties_template\n && element.properties_template.layers[lk]);\n const { fields } = layer;\n if (layer != null) {\n const fobj = (fields || []).find(o => o.field === f.field);\n if (Object.keys(fobj).length > 0) {\n const idx = (fields || []).findIndex(o => o.field === f.field);\n fields.splice(idx, 1, f);\n element.properties_template.layers[lk].fields = fields;\n this.setState({ element }, cb);\n }\n }\n }\n\n onFieldInputChange(event, orig, fe, lk, fc, tp) {\n const { element } = this.state;\n\n let value = '';\n if (tp === 'select' || tp === 'system-defined') {\n ({ value } = event);\n } else if (tp && tp.startsWith('drag')) {\n value = event;\n } else {\n ({ value } = event.target);\n }\n const layer = (element && element.properties_template\n && element.properties_template.layers[lk]);\n\n if (typeof layer === 'undefined' || layer == null) return;\n\n const { fields } = layer;\n\n if (fields == null || fields.length === 0) return;\n\n const fobj = fields.find(e => e.field === fe);\n if (Object.keys(fobj).length === 0) return;\n\n switch (fc) {\n case 'required':\n fobj.required = !orig;\n break;\n default:\n fobj[`${fc}`] = value;\n break;\n }\n\n const idx = findIndex(fields, o => o.field === fe);\n fields.splice(idx, 1, fobj);\n element.properties_template.layers[lk].fields = fields;\n this.setState({ element });\n }\n\n onInputNewField(e) {\n this.setState({ newFieldKey: e.target.value });\n }\n\n onInputNewOption(e) {\n this.setState({ newOptionKey: e.target.value });\n }\n\n retriveRevision(revision, cb) {\n const { element } = this.state;\n element.properties_template = revision;\n this.setState({ element, propTabKey: 1 }, cb);\n }\n\n fetchRevisions() {\n const { element } = this.state;\n if (element && element.id) {\n AdminFetcher.fetchKlassRevisions(element.id, 'SegmentKlass')\n .then((result) => {\n let curr = Object.assign({}, { ...element.properties_template });\n curr = Object.assign({}, { properties_release: curr }, { uuid: 'current' });\n const revisions = [].concat(curr, result.revisions);\n this.setState({ revisions });\n });\n }\n }\n\n delRevision(params) {\n const { element } = this.state;\n AdminFetcher.deleteKlassRevision({ id: params.id, klass_id: element.id, klass: 'SegmentKlass' })\n .then((response) => {\n if (response.error) {\n notification({ title: 'Delete Revision', lvl: 'error', msg: response.error });\n } else {\n this.fetchRevisions();\n }\n });\n }\n\n propTabSelect(key) {\n if (key !== 1) {\n this.fetchRevisions();\n }\n this.setState({ propTabKey: key });\n }\n\n handlePropClose() {\n this.setState({ showPropModal: false });\n }\n\n handleFieldCondClose() {\n this.setState({ showFieldCond: false });\n }\n\n handleCond(lk) {\n this.onShowFieldCond(null, lk);\n }\n\n\n addLayer() {\n this.setState({ showNewLayer: true });\n }\n\n addSelection() {\n this.setState({ showAddSelect: true });\n }\n\n showJsonModal(element) {\n this.setState({ element, showJson: true });\n }\n\n hideJsonModal() {\n this.setState({ showJson: false });\n }\n\n editLayer(e) {\n this.setState({ showEditLayer: true, layerKey: e.layerKey });\n }\n\n newKlass() {\n this.setState({ showNewKlass: true });\n }\n\n editKlass(element) {\n this.setState({ showEditKlass: true, element });\n }\n\n copyKlass(element) {\n this.setState({ showCopyKlass: true, element });\n }\n\n handleUploadShow() {\n this.setState({ showUpload: true });\n }\n\n handleUploadClose() {\n this.setState({ showUpload: false });\n }\n\n newField(e) {\n const { element, newFieldKey } = this.state;\n if (newFieldKey === null || newFieldKey.trim().length === 0) {\n notification({ title: 'Add new field', lvl: 'error', msg: 'please input field name first!' });\n return;\n }\n if (!validateField(newFieldKey)) {\n notification({ title: 'Add new field', lvl: 'error', msg: 'only can be alphanumeric (a-z, A-Z, 0-9 and underscores).' });\n return;\n }\n const { layerKey } = e;\n const layer = element && element.properties_template\n && element.properties_template.layers[layerKey];\n const fields = layer.fields || [];\n const dupfields = filter(fields, o => o.field === newFieldKey);\n if (dupfields && dupfields.length > 0) {\n notification({ title: 'Add new field', lvl: 'error', msg: 'this field is used already, please change a field name' });\n return;\n }\n const newField = {\n type: 'text', field: newFieldKey, position: 100, label: newFieldKey, default: ''\n };\n fields.push(newField);\n element.properties_template.layers[layerKey].fields = fields;\n this.setState({ layerKey, element });\n }\n\n newOption(key) {\n const { element, newOptionKey } = this.state;\n\n if (newOptionKey == null || newOptionKey.trim().length === 0) {\n notification({ title: 'Add new option', lvl: 'error', msg: 'please input option name first!' });\n return;\n }\n const selectObj = (element && element.properties_template\n && element.properties_template.select_options[key]\n && element.properties_template.select_options[key].options) || [];\n const dupops = filter(selectObj, o => o.key === newOptionKey);\n if (dupops && dupops.length > 0) {\n notification({ title: 'Add new option', lvl: 'error', msg: 'this option key is used already, please change another option key' });\n return;\n }\n const newOption = { key: newOptionKey, label: newOptionKey };\n selectObj.push(newOption);\n element.properties_template.select_options[key].options = selectObj;\n this.setState({ element });\n }\n\n handleNewLayerClose() {\n this.setState({ showNewLayer: false });\n }\n\n handleLayerClose() {\n this.setState({ showEditLayer: false });\n }\n\n handleNewKlassClose() {\n this.setState({ showNewKlass: false });\n }\n\n handleKlassClose() {\n this.setState({ showEditKlass: false });\n }\n\n handleCopyKlassClose() {\n this.setState({ showCopyKlass: false });\n }\n\n handleSelectClose() {\n this.setState({ showAddSelect: false });\n }\n\n handleAddSelect(selectName) {\n const { element } = this.state;\n if (validateSelectList(selectName, element)) {\n const sos = element.properties_template.select_options;\n sos[selectName] = {};\n const selectOptions = Object.keys(sos).map(key => ({ value: key, name: key, label: key }));\n this.setState({ element, showAddSelect: false, selectOptions });\n }\n return false;\n }\n\n handleCreateLayer(layer) {\n if (!validateLayerInput(layer)) return;\n const { element } = this.state;\n if (element && element.properties_template && element.properties_template.layers[`${layer.key}`]) {\n notification({ title: `Layer [${layer.key}]`, lvl: 'error', msg: 'This Layer is already taken. Please choose another one.' });\n return;\n }\n element.properties_template.layers[`${layer.key}`] = layer;\n notification({ title: `Layer [${layer.key}]`, lvl: 'info', msg: 'This new layer is kept in the Template workspace temporarily. Please remember to press Save when you finish the editing.' });\n this.setState({ showNewLayer: false, element, layerKey: layer.key });\n }\n\n handleUpdateLayer(layerKey, updates) {\n if (!validateLayerInput(updates)) return;\n const { element } = this.state;\n let layer = element && element.properties_template\n && element.properties_template.layers[layerKey];\n layer = { ...layer, ...updates };\n element.properties_template.layers[`${layer.key}`] = layer;\n notification({ title: `Layer [${layer.key}]`, lvl: 'info', msg: 'This updates of this layer is kept in the Template workspace temporarily. Please remember to press Save when you finish the editing.' });\n this.setState({ showEditLayer: false, element });\n }\n\n handleCreateKlass(element) {\n if (!validateInput(element)) return;\n AdminFetcher.createSegmentKlass(element)\n .then((result) => {\n if (result.error) {\n notification({ title: 'Create Segment fail', lvl: 'error', msg: result.error });\n } else {\n notification({ title: 'Create Segment successfully', lvl: 'info', msg: 'Created successfully' });\n this.handleNewKlassClose();\n this.handleCopyKlassClose();\n this.fetchElements();\n }\n }).catch((errorMessage) => {\n console.log(errorMessage);\n });\n }\n\n handleUpdateKlass(element, updates) {\n const inputs = { ...element, ...updates };\n if (!validateInput(inputs)) return;\n AdminFetcher.updateSegmentKlass(inputs)\n .then((result) => {\n if (result.error) {\n notification({ title: 'Update Segment fail', lvl: 'error', msg: result.error });\n } else {\n notification({ title: 'Update Segment successfully', lvl: 'info', msg: 'Updated successfully' });\n this.handleKlassClose();\n this.fetchElements();\n }\n }).catch((errorMessage) => {\n console.log(errorMessage);\n });\n }\n\n handleActivateKlass(id, isActive) {\n AdminFetcher.deActiveSegmentKlass({ id, is_active: !isActive })\n .then((result) => {\n if (result.error) {\n notification({ title: 'Update Segment fail', lvl: 'error', msg: result.error });\n } else {\n notification({ title: 'Update Segment successfully', lvl: 'info', msg: `Segment is ${result.is_active ? 'active' : 'deactive'} now` });\n this.handleKlassClose();\n this.fetchElements();\n }\n }).catch((errorMessage) => {\n console.log(errorMessage);\n });\n }\n\n handleDeleteKlass(element) {\n AdminFetcher.deleteSegmentKlass(element.id)\n .then((result) => {\n if (result.error) {\n notification({ title: 'Delete Segment fail', lvl: 'error', msg: result.error });\n } else {\n notification({ title: `Segment [${element.name}]`, lvl: 'info', msg: 'Deleted successfully' });\n this.handleKlassClose();\n this.fetchElements();\n }\n });\n }\n\n handleUpdateJson(propertiesTemplate) {\n const { element } = this.state;\n element.properties_template = propertiesTemplate;\n this.setState({\n element,\n showJson: false\n });\n this.handleSubmit(false);\n }\n\n\n handlePropShow(element) {\n if (element) {\n const selectOptions = Object.keys(element.properties_template.select_options)\n .map(key => ({ value: key, name: key, label: key }));\n this.setState({\n element, selectOptions, showPropModal: true, propTabKey: 1\n });\n }\n }\n\n handleUploadTemplate(properties, message, valid) {\n const { element } = this.state;\n if (valid === false) {\n this.setState({ showUpload: false });\n notification({ title: `Upload Template for Segment [${element.label}] Failed`, autoDismiss: 30, lvl: 'error', msg: message });\n } else {\n element.properties_template = properties;\n this.setState({ element, showUpload: false });\n notification({ title: `Upload template to Segment [${element.label}]`, lvl: 'info', msg: 'The templates has been uploaded, please save it.' });\n }\n }\n\n fetchConfigs() {\n AdminFetcher.fetchUnitsSystem().then((result) => { this.setState({ unitsSystem: result }); });\n }\n\n fetchElements() {\n AdminFetcher.listSegmentKlass().then((result) => {\n this.setState({ elements: result.klass });\n });\n }\n\n handleSubmit(isRelease = false) {\n LoadingActions.start();\n const { element, unitsSystem } = this.state;\n Object.keys(element.properties_template.layers).forEach((key) => {\n const layer = element.properties_template.layers[key];\n let sortedFields = (layer && layer.fields) || [];\n (sortedFields || []).forEach((f, idx) => {\n const fd = f;\n fd.position = (idx + 1);\n if (fd.type === 'system-defined') { fd.option_layers = reUnit(unitsSystem, fd.option_layers); }\n fd.required = false;\n fd.sub_fields = ['input-group', 'table'].includes(fd.type) ? fd.sub_fields : [];\n if (fd.type !== 'text-formula') { fd.text_sub_fields = []; }\n return fd;\n });\n sortedFields = sortBy(sortedFields, l => l.position);\n element.properties_template.layers[key].fields = sortedFields;\n });\n\n element.is_release = isRelease;\n\n AdminFetcher.updateSegmentTemplate(element)\n .then((result) => {\n if (result.error) {\n notification({ title: 'Update Segment template fail', lvl: 'error', msg: result.error });\n } else {\n if (isRelease === true) {\n notification({ title: 'Update Segment template', lvl: 'info', msg: 'Saved adn Released successfully' });\n } else {\n notification({ title: 'Update Segment template', lvl: 'info', msg: 'Saved successfully' });\n }\n this.fetchElements();\n this.setState({ element: result });\n }\n LoadingActions.stop();\n }).catch((errorMessage) => {\n console.log(errorMessage);\n });\n }\n\n confirmDelete(delStr, delKey, delRoot) {\n const { element } = this.state;\n if (delStr === 'Select') {\n delete element.properties_template.select_options[delKey];\n const sos = element.properties_template.select_options;\n const selectOptions = Object.keys(sos).map(key => ({ value: key, name: key, label: key }));\n this.setState({ selectOptions });\n } else if (delStr === 'Option') {\n const options = element.properties_template.select_options[delRoot];\n const idx = findIndex(options, o => o.key === delKey);\n options.splice(idx, 1);\n } else if (delStr === 'Layer') {\n delete element.properties_template.layers[delKey];\n } else if (delStr === 'Field') {\n const { fields } = element.properties_template.layers[delRoot];\n const idx = findIndex(fields, o => o.field === delKey);\n fields.splice(idx, 1);\n } else {\n //\n }\n this.setState({ element });\n }\n\n renderDeleteButton(delStr, delKey, delRoot) {\n let msg = 'remove?';\n if (delStr === 'Select') {\n msg = `remove this select option: [${delKey}] ?`;\n } else if (delStr === 'Option') {\n msg = `remove this option: [${delKey}] from select [${delRoot}] ?`;\n } else if (delStr === 'Layer') {\n msg = `remove this layer: [${delKey}] ?`;\n } else if (delStr === 'Field') {\n msg = `remove this field: [${delKey}] from layer [${delRoot}] ?`;\n } else {\n msg = `remove ???: ${delStr}`;\n }\n\n const popover = (\n \n
\n { this.renderList() }\n { this.renderPropPanel() }\n
\n \n
\n \n \n
\n \n \n \n {f.key} \n this.onOptionInputChange(event, key, f.key)}\n />\n \n {this.renderDeleteButton('Option', f.key, key)}\n \n \n \n
\n ));\n\n const snode = (\n \n \n \n \n {this.renderDeleteButton('Select', key, null)}\n \n this.onInputNewOption(e)}\n placeholder=\"Input new option\"\n bsSize=\"sm\"\n />\n \n Add new option}>\n \n \n \n \n \n
\n \n \n \n \n Select Lists\n Add new select list}>\n \n \n \n \n \n \n \n
\n );\n }\n\n renderProperties() {\n const { element, selectOptions, unitsSystem } = this.state;\n const layers = [];\n const sortedLayers = sortBy(element.properties_template.layers, l => l.position);\n\n (sortedLayers || []).forEach((layer) => {\n const layerKey = `${layer.key}`;\n const fields = ((layer && layer.fields) || []).map((f, idx) => (\n \n { selects }\n
\n \n \n \n \n {btnCond}\n \n this.onInputNewField(e)}\n placeholder=\"Input new field name\"\n bsSize=\"sm\"\n />\n \n \n \n \n
\n \n \n \n \n Layers\n Add new layer}>\n \n \n \n \n \n
\n );\n }\n\n renderPropPanel() {\n const {\n element, showPropModal, revisions, propTabKey\n } = this.state;\n if (showPropModal) {\n return (\n { layers }
| # | \nActions | \nSegment Label | \nDescription | \nActive | \nTemplate | \nBelongs to | \nReleased at | \n
|---|
\n \n \n
\n
\n );\n }\n}\n","import React from 'react';\nimport { Panel, Table, FormGroup, Popover, FormControl, Button, Row, Col, Badge, Tooltip, OverlayTrigger, InputGroup, Tabs, Tab } from 'react-bootstrap';\nimport uuid from 'uuid';\nimport Clipboard from 'clipboard';\nimport { findIndex, filter, sortBy } from 'lodash';\nimport LoadingModal from '../components/common/LoadingModal';\nimport AdminFetcher from '../components/fetchers/AdminFetcher';\nimport { ElementField } from '../components/elements/ElementField';\nimport LoadingActions from '../components/actions/LoadingActions';\nimport TemplateJsonModal from './generic/TemplateJsonModal';\nimport LayerAttrEditModal from './generic/LayerAttrEditModal';\nimport LayerAttrNewModal from './generic/LayerAttrNewModal';\nimport FieldCondEditModal from './generic/FieldCondEditModal';\nimport SelectAttrNewModal from './generic/SelectAttrNewModal';\nimport Preview from './generic/Preview';\nimport UploadModal from './generic/UploadModal';\nimport { ButtonTooltip, validateLayerInput, validateSelectList, notification, reUnit, GenericDummy } from '../admin/generic/Utils';\n\nconst validateField = field => (/^[a-zA-Z0-9_]*$/g.test(field));\nexport default class DatasetElementAdmin extends React.Component {\n constructor(props) {\n super(props);\n this.state = {\n elements: [],\n element: {},\n newFieldKey: '',\n newOptionKey: '',\n layerKey: '',\n selectOptions: [],\n unitsSystem: {},\n showPropModal: false,\n showNewLayer: false,\n showEditLayer: false,\n showAddSelect: false,\n showUpload: false,\n showJson: false,\n propTabKey: 1,\n revisions: [],\n };\n\n this.clipboard = new Clipboard('.clipboardBtn');\n this.handlePropShow = this.handlePropShow.bind(this);\n this.handlePropClose = this.handlePropClose.bind(this);\n this.onInputNewField = this.onInputNewField.bind(this);\n this.onInputNewOption = this.onInputNewOption.bind(this);\n this.addLayer = this.addLayer.bind(this);\n this.addSelection = this.addSelection.bind(this);\n this.editLayer = this.editLayer.bind(this);\n this.newField = this.newField.bind(this);\n this.newOption = this.newOption.bind(this);\n this.handleSelectClose = this.handleSelectClose.bind(this);\n this.handleNewLayerClose = this.handleNewLayerClose.bind(this);\n this.handleLayerClose = this.handleLayerClose.bind(this);\n this.handleCreateLayer = this.handleCreateLayer.bind(this);\n this.handleUpdateLayer = this.handleUpdateLayer.bind(this);\n this.handleAddSelect = this.handleAddSelect.bind(this);\n this.onDummyAdd = this.onDummyAdd.bind(this);\n this.onFieldDrop = this.onFieldDrop.bind(this);\n this.onFieldMove = this.onFieldMove.bind(this);\n this.onFieldInputChange = this.onFieldInputChange.bind(this);\n this.onOptionInputChange = this.onOptionInputChange.bind(this);\n this.showJsonModal = this.showJsonModal.bind(this);\n this.hideJsonModal = this.hideJsonModal.bind(this);\n this.handleUpdateJson = this.handleUpdateJson.bind(this);\n this.onShowFieldCond = this.onShowFieldCond.bind(this);\n this.handleFieldCondClose = this.handleFieldCondClose.bind(this);\n this.handleCond = this.handleCond.bind(this);\n this.fetchConfigs = this.fetchConfigs.bind(this);\n this.handleDeActive = this.handleDeActive.bind(this);\n this.propTabSelect = this.propTabSelect.bind(this);\n this.handleSubmit = this.handleSubmit.bind(this);\n this.retriveRevision = this.retriveRevision.bind(this);\n this.delRevision = this.delRevision.bind(this);\n this.fetchRevisions = this.fetchRevisions.bind(this);\n this.handleUploadShow = this.handleUploadShow.bind(this);\n this.handleUploadClose = this.handleUploadClose.bind(this);\n this.handleUploadTemplate = this.handleUploadTemplate.bind(this);\n }\n\n componentDidMount() {\n this.fetchElements();\n this.fetchConfigs();\n }\n\n componentWillUnmount() {\n this.clipboard.destroy();\n }\n\n onOptionInputChange(event, selectKey, optionKey) {\n const { element } = this.state;\n const options = (element &&\n element.properties_template && element.properties_template.select_options[selectKey]\n && element.properties_template.select_options[selectKey].options) || [];\n const idx = findIndex(options, o => o.key === optionKey);\n const op = {};\n op.key = optionKey;\n op.label = event.target.value;\n options.splice(idx, 1, op);\n this.setState({ element });\n }\n\n onDummyAdd(e) {\n const { element } = this.state;\n const layer = (element && element.properties_template\n && element.properties_template.layers[e.l]);\n let { fields } = layer || {};\n fields = fields || [];\n let idx = fields.findIndex(o => o.field === e.f);\n if (idx === -1 && fields.length > 0) idx = fields.length - 1;\n fields.splice(idx + 1, 0, new GenericDummy());\n element.properties_template.layers[e.l].fields = fields;\n this.setState({ element });\n }\n\n onShowFieldCond(field, lk) {\n this.setState({ showFieldCond: true, fieldObj: field, layerKey: lk });\n }\n\n onFieldDrop(e) {\n const { element } = this.state;\n const sourceKey = e.sourceTag.layerKey;\n const targetKey = e.targetTag.layerKey;\n const sourceLayer = element.properties_template.layers[sourceKey];\n const targetLayer = element.properties_template.layers[targetKey];\n\n if (sourceLayer && targetLayer) {\n e.sourceTag.field.position = e.targetTag.field.position - 1;\n const { fields } = element.properties_template.layers[sourceKey];\n const idx = findIndex(fields, o => o.field === e.sourceTag.field.field);\n fields.splice(idx, 1, e.sourceTag.field);\n element.properties_template.layers[sourceKey].fields = fields;\n this.setState({ element });\n }\n }\n\n onFieldMove(l, f, isUp) {\n const { element } = this.state;\n const layer = (element && element.properties_template && element.properties_template.layers[l]);\n const { fields } = layer;\n const idx = findIndex(fields, o => o.field === f);\n if (idx >= 0 && isUp) {\n const curObj = fields[idx];\n curObj.position -= 1;\n const preObj = fields[idx - 1];\n preObj.position += 1;\n fields[idx] = preObj;\n fields[idx - 1] = curObj;\n } else if (idx < (fields.length - 1) && !isUp) {\n const curObj = fields[idx];\n curObj.position += 1;\n const nexObj = fields[idx + 1];\n nexObj.position -= 1;\n fields[idx] = nexObj;\n fields[idx + 1] = curObj;\n }\n element.properties_template.layers[l].fields = fields;\n this.setState({ element });\n }\n\n onFieldInputChange(event, orig, fe, lk, fc, tp) {\n const { element } = this.state;\n\n let value = '';\n if (tp === 'select' || tp === 'system-defined') {\n ({ value } = event);\n } else if (tp && tp.startsWith('drag')) {\n value = event;\n } else {\n ({ value } = event.target);\n }\n let fobj = null;\n const layer = (element && element.properties_template\n && element.properties_template.layers[lk]);\n const { fields } = layer;\n if (layer != null) {\n const fobjs = filter(fields, o => o.field === fe);\n if (fobjs && fobjs.length > 0) {\n fobj = fobjs[0];\n }\n }\n\n if (layer != null && fobj != null) {\n switch (fc) {\n case 'label':\n fobj.label = value;\n break;\n case 'description':\n fobj.description = value;\n break;\n case 'type':\n fobj.type = value;\n break;\n case 'required':\n fobj.required = !orig;\n break;\n case 'formula':\n fobj.formula = value;\n break;\n case 'position':\n fobj.position = value;\n break;\n case 'field':\n fobj.field = value;\n break;\n case 'placeholder':\n fobj.placeholder = value;\n break;\n case 'option_layers':\n fobj.option_layers = value;\n break;\n default:\n break;\n }\n const idx = findIndex(fields, o => o.field === fe);\n fields.splice(idx, 1, fobj);\n element.properties_template.layers[lk].fields = fields;\n this.setState({ element });\n }\n }\n\n onInputNewField(e) {\n this.setState({ newFieldKey: e.target.value });\n }\n\n onInputNewOption(e) {\n this.setState({ newOptionKey: e.target.value });\n }\n\n fetchConfigs() {\n AdminFetcher.fetchUnitsSystem().then((result) => { this.setState({ unitsSystem: result }); });\n }\n\n fetchElements() {\n AdminFetcher.listDatasetKlass()\n .then((result) => { this.setState({ elements: result.klass }); });\n }\n\n handleDeActive(e) {\n const act = e.is_active ? 'De-active' : 'Active';\n AdminFetcher.deActiveDatasetKlass({ id: e.id, is_active: !e.is_active })\n .then((result) => {\n if (result.error) {\n notification({ title: `${act} Dataset fail`, lvl: 'error', msg: result.error });\n } else {\n notification({ title: `${act} Dataset successfully`, lvl: 'info', msg: `${e.label} is ${act.toLowerCase()} now` });\n this.fetchElements();\n }\n }).catch((errorMessage) => { console.log(errorMessage); });\n }\n\n handlePropClose() {\n this.setState({ showPropModal: false });\n }\n\n handleFieldCondClose() {\n this.setState({ showFieldCond: false });\n }\n\n handleCond(lk) {\n this.onShowFieldCond(null, lk);\n }\n\n addLayer() {\n this.setState({ showNewLayer: true });\n }\n\n addSelection() {\n this.setState({ showAddSelect: true });\n }\n\n showJsonModal(element) {\n this.setState({ element, showJson: true });\n }\n\n hideJsonModal() {\n this.setState({ showJson: false });\n }\n\n editLayer(e) {\n this.setState({ showEditLayer: true, layerKey: e.layerKey });\n }\n\n handleUploadShow() {\n this.setState({ showUpload: true });\n }\n\n handleUploadClose() {\n this.setState({ showUpload: false });\n }\n\n newField(e) {\n const { element, newFieldKey } = this.state;\n if (newFieldKey === null || newFieldKey.trim().length === 0) {\n notification({ title: 'Add new field', lvl: 'error', msg: 'please input field name first!' });\n return;\n }\n if (!validateField(newFieldKey)) {\n notification({ title: 'Add new field', lvl: 'error', msg: 'only can be alphanumeric (a-z, A-Z, 0-9 and underscores).' });\n return;\n }\n const { layerKey } = e;\n const layer = element && element.properties_template\n && element.properties_template.layers[layerKey];\n const fields = layer.fields || [];\n const dupfields = filter(fields, o => o.field === newFieldKey);\n if (dupfields && dupfields.length > 0) {\n notification({ title: 'Add new field', lvl: 'error', msg: 'this field is used already, please change a field name!' });\n return;\n }\n const newField = {\n type: 'text', field: newFieldKey, position: 100, label: newFieldKey, default: ''\n };\n fields.push(newField);\n element.properties_template.layers[layerKey].fields = fields;\n this.setState({ layerKey, element });\n }\n\n newOption(key) {\n const { element, newOptionKey } = this.state;\n\n if (newOptionKey == null || newOptionKey.trim().length === 0) {\n notification({ title: 'Add new option', lvl: 'error', msg: 'please input option name first!' });\n return;\n }\n const selectObj = (element && element.properties_template\n && element.properties_template.select_options[key]\n && element.properties_template.select_options[key].options) || [];\n const dupops = filter(selectObj, o => o.key === newOptionKey);\n if (dupops && dupops.length > 0) {\n notification({ title: 'Add new option', lvl: 'error', msg: 'this option key is used already, please change another option key' });\n return;\n }\n const newOption = { key: newOptionKey, label: newOptionKey };\n selectObj.push(newOption);\n element.properties_template.select_options[key].options = selectObj;\n this.setState({ element });\n }\n\n handleNewLayerClose() {\n this.setState({ showNewLayer: false });\n }\n\n handleLayerClose() {\n this.setState({ showEditLayer: false });\n }\n\n handleSelectClose() {\n this.setState({ showAddSelect: false });\n }\n\n fetchRevisions() {\n const { element } = this.state;\n if (element && element.id) {\n AdminFetcher.fetchKlassRevisions(element.id, 'DatasetKlass')\n .then((result) => {\n let curr = Object.assign({}, { ...element.properties_template });\n curr = Object.assign({}, { properties_release: curr }, { uuid: 'current' });\n const revisions = [].concat(curr, result.revisions);\n this.setState({ revisions });\n });\n }\n }\n\n delRevision(params) {\n const { element } = this.state;\n AdminFetcher.deleteKlassRevision({ id: params.id, klass_id: element.id, klass: 'DatasetKlass' })\n .then((response) => {\n if (response.error) {\n notification({ title: 'Delete Revision', lvl: 'error', msg: response.error });\n } else {\n this.fetchRevisions();\n }\n });\n }\n\n propTabSelect(key) {\n if (key !== 1) {\n this.fetchRevisions();\n }\n this.setState({ propTabKey: key });\n }\n\n handleAddSelect(selectName) {\n const { element } = this.state;\n if (validateSelectList(selectName, element)) {\n const sos = element.properties_template.select_options;\n sos[selectName] = {};\n const selectOptions = Object.keys(sos).map(key => ({ value: key, name: key, label: key }));\n this.setState({ element, showAddSelect: false, selectOptions });\n }\n return false;\n }\n\n handleCreateLayer(layer) {\n if (!validateLayerInput(layer)) return;\n const { element } = this.state;\n if (element && element.properties_template && element.properties_template.layers[`${layer.key}`]) {\n notification({ title: `Layer [${layer.key}]`, lvl: 'error', msg: 'This Layer is already taken. Please choose another one.' });\n return;\n }\n element.properties_template.layers[`${layer.key}`] = layer;\n notification({ title: `Layer [${layer.key}]`, lvl: 'info', msg: 'This new layer is kept in the Template workspace temporarily. Please remember to press Save when you finish the editing.' });\n this.setState({ showNewLayer: false, element, layerKey: layer.key });\n }\n\n handleUpdateLayer(layerKey, updates) {\n if (!validateLayerInput(updates)) return;\n const { element } = this.state;\n let layer = element && element.properties_template\n && element.properties_template.layers[layerKey];\n layer = { ...layer, ...updates };\n element.properties_template.layers[`${layer.key}`] = layer;\n notification({ title: `Layer [${layer.key}]`, lvl: 'info', msg: 'This updates of this layer is kept in the Template workspace temporarily. Please remember to press Save when you finish the editing.' });\n this.setState({ showEditLayer: false, element });\n }\n\n handleUpdateJson(propertiesTemplate) {\n const { element } = this.state;\n element.properties_template = propertiesTemplate;\n this.setState({ element, showJson: false }, this.handleSubmit(false));\n }\n\n handlePropShow(element) {\n if (element) {\n const selectOptions = Object.keys(element.properties_template.select_options)\n .map(key => ({ value: key, name: key, label: key }));\n this.setState({ element, selectOptions, showPropModal: true });\n }\n }\n\n handleUploadTemplate(properties, message, valid) {\n const { element } = this.state;\n if (valid === false) {\n this.setState({ showUpload: false });\n notification({ title: `Upload Template for Dataset [${element.label}] Failed`, autoDismiss: 30, lvl: 'error', msg: message });\n } else {\n element.properties_template = properties;\n this.setState({ element, showUpload: false });\n notification({ title: `Upload template to Dataset [${element.label}]`, lvl: 'info', msg: 'The templates has been uploaded, please save it.' });\n }\n }\n\n retriveRevision(revision, cb) {\n const { element } = this.state;\n element.properties_template = revision;\n this.setState({ element, propTabKey: 1 }, cb);\n }\n\n handleSubmit(isRelease = false) {\n LoadingActions.start();\n const { element, unitsSystem } = this.state;\n Object.keys(element.properties_template.layers).forEach((key) => {\n const layer = element.properties_template.layers[key];\n let sortedFields = (layer && layer.fields) || [];\n (sortedFields || []).forEach((f, idx) => {\n const fd = f;\n fd.position = (idx + 1);\n if (fd.type === 'system-defined') { fd.option_layers = reUnit(unitsSystem, fd.option_layers); }\n fd.required = false;\n return fd;\n });\n sortedFields = sortBy(sortedFields, l => l.position);\n element.properties_template.layers[key].fields = sortedFields;\n });\n\n element.is_release = isRelease;\n AdminFetcher.updateDatasetTemplate(element)\n .then((result) => {\n if (result.error) {\n notification({ title: `Update Dataset: [${element.label}] template fail`, lvl: 'error', msg: result.error });\n } else {\n if (isRelease === true) {\n notification({ title: `Update Dataset: [${element.label}] template`, lvl: 'info', msg: 'Saved and Released successfully' });\n } else {\n notification({ title: `Update Dataset: [${element.label}] template`, lvl: 'info', msg: 'Saved successfully' });\n }\n this.fetchElements();\n this.setState({ element: result }, () => LoadingActions.stop());\n }\n }).catch((errorMessage) => { console.log(errorMessage); });\n }\n\n confirmDelete(delStr, delKey, delRoot) {\n const { element } = this.state;\n if (delStr === 'Select') {\n delete element.properties_template.select_options[delKey];\n const sos = element.properties_template.select_options;\n const selectOptions = Object.keys(sos).map(key => ({ value: key, name: key, label: key }));\n this.setState({ selectOptions });\n } else if (delStr === 'Option') {\n const options = element.properties_template.select_options[delRoot];\n const idx = findIndex(options, o => o.key === delKey);\n options.splice(idx, 1);\n } else if (delStr === 'Layer') {\n delete element.properties_template.layers[delKey];\n } else if (delStr === 'Field') {\n const { fields } = element.properties_template.layers[delRoot];\n const idx = findIndex(fields, o => o.field === delKey);\n fields.splice(idx, 1);\n }\n this.setState({ element });\n }\n\n renderDeleteButton(delStr, delKey, delRoot) {\n let msg = 'remove?';\n if (delStr === 'Select') {\n msg = `remove this select option: [${delKey}] ?`;\n } else if (delStr === 'Option') {\n msg = `remove this option: [${delKey}] from select [${delRoot}] ?`;\n } else if (delStr === 'Layer') {\n msg = `remove this layer: [${delKey}] ?`;\n } else if (delStr === 'Field') {\n msg = `remove this field: [${delKey}] from layer [${delRoot}] ?`;\n } else {\n msg = `remove ???: ${delStr}`;\n }\n\n const popover = (\n \n
\n { this.renderList() }\n { this.renderPropPanel() }\n
\n \n
\n \n \n
\n \n \n \n {f.key} \n this.onOptionInputChange(event, key, f.key)}\n />\n \n {this.renderDeleteButton('Option', f.key, key)}\n \n \n \n
\n ));\n\n const snode = (\n \n \n \n \n {this.renderDeleteButton('Select', key, null)}\n \n this.onInputNewOption(e)}\n placeholder=\"Input new option\"\n bsSize=\"sm\"\n />\n \n Add new option}>\n \n \n \n \n \n
\n \n \n \n \n Select Lists\n Add new select list}>\n \n \n \n \n \n
\n );\n }\n\n renderProperties() {\n const { element, selectOptions, unitsSystem } = this.state;\n const layers = [];\n const sortedLayers = sortBy(element.properties_template.layers, l => l.position);\n (sortedLayers || []).forEach((layer) => {\n const layerKey = `${layer.key}`;\n const fields = ((layer && layer.fields) || []).map((f, idx) => (\n { selects }
\n \n \n \n {btnCond}\n \n this.onInputNewField(e)}\n placeholder=\"Input new field name\"\n bsSize=\"sm\"\n />\n \n \n \n \n
\n \n \n \n \n Layers\n Add new layer}>\n \n \n \n \n \n
\n );\n }\n\n renderList() {\n const { elements, element } = this.state;\n const tbody = elements && elements.map((e, idx) => (\n \n { layers }
| # | \nChemical Methods Ontology | \nActive | \nTemplate | \nReleased at | \n
|---|
\n
\n );\n }\n}\n","import { Button, OverlayTrigger, Panel, Table, Tooltip } from 'react-bootstrap';\nimport React, { Component } from 'react';\nimport AdminFetcher from '../components/fetchers/AdminFetcher';\n\nconst tipRestartJob = \n { this.renderList() }\n { this.renderPropPanel() }\n
\n \n \n \n \n Delayed Jobs\n \n \n \n \n { tcolumn }\n \n \n { tbody }\n \n
\n \n
\n );\n }\n}\n","import React from 'react';\nimport { Panel, Table, Button, Modal, FormGroup, ControlLabel, Form, Col, ButtonGroup, Tooltip, OverlayTrigger, Popover, FormControl } from 'react-bootstrap';\nimport ReportTemplateFetcher from '../components/fetchers/ReportTemplateFetcher';\nimport Dropzone from 'react-dropzone';\nimport Select from 'react-select';\n\nconst editTooltip = \n {template.attachment.filename} \n \n
\n );\n } else if (attachment) {\n return (\n \n {attachment.name} \n \n
\n );\n } else {\n return (\n \n Drop File, or Click to Select.\n
\n \n );\n }\n }\n\n onTemplateTypeChange(e) {\n this.setState({ templateType: e })\n };\n\n renderNewTemplateModal() {\n\n return (\n \n \n
\n \n \n
\n \n
\n \n \n
\n \n \n \n \n \n \n \n \n {tcolumn}\n \n \n {tbody}\n \n
\n \n { this.renderNewTemplateModal()}\n { this.renderEditTemplateModal()}\n
\n );\n }\n}\n","import 'whatwg-fetch';\n\nconst converter_app_url = '/api/v1/converter';\n\nexport default class ConverterFetcher {\n static deleteProfile(profile) {\n const requestOptions = { method: 'DELETE' };\n return fetch(`/api/v1/converter/profiles/${profile.id}`, requestOptions)\n .then((response) => {\n if (!response.ok) { throw response; }\n return response;\n });\n }\n\n static fetchProfiles() {\n return fetch('/api/v1/converter/profiles', {\n credentials: 'same-origin',\n method: 'GET',\n }).then((response) => {\n if (!response.ok) { throw response }\n return response.json();\n })\n .then(json => json)\n .catch((errorMessage) => { console.error(errorMessage); });\n }\n\n static fetchOptions() {\n return fetch('/api/v1/converter/options', {\n credentials: 'same-origin',\n method: 'GET',\n }).then((response) => {\n if (!response.ok) { throw response }\n return response.json();\n })\n .then(json => json)\n .catch((errorMessage) => { console.error(errorMessage); });\n }\n\n static fetchTables(file) {\n const data = new FormData();\n data.append('file[]', file);\n return fetch('/api/v1/converter/tables', {\n credentials: 'same-origin',\n contentType: 'application/json',\n method: 'POST',\n body: data,\n }).then((response) => {\n if (!response.ok) { throw response }\n return response.json();\n return null;\n })\n .then(json => json)\n .catch((errorMessage) => { console.error(errorMessage); });\n }\n\n\n static createProfile(profile) {\n const requestOptions = {\n method: 'POST',\n body: JSON.stringify(profile),\n headers: { 'Content-Type': 'application/json' }\n };\n\n let ok;\n return fetch('/api/v1/converter/profiles', requestOptions)\n .then((response) => {\n ok = response.ok;\n return response.json()\n })\n .then((info) => {\n if (ok) {\n return info;\n }\n throw info;\n });\n }\n\n\n static updateProfile(profile) {\n const requestOptions = {\n method: 'PUT',\n body: JSON.stringify(profile),\n headers: {\n 'Content-Type': 'application/json'\n }\n };\n\n let ok;\n return fetch(`/api/v1/converter/profiles/${profile.id}`, requestOptions)\n .then((response) => {\n ok = response.ok;\n return response.json();\n })\n .then((info) => {\n if (ok) {\n return info;\n }\n throw new Error(info);\n });\n }\n}\n","import React, { Component } from \"react\"\nimport { Modal, Button } from 'react-bootstrap';\nimport { ProfileList, ProfileForm, FileUploadForm } from 'chemotion-converter-client';\n\nimport ConverterApi from '../../components/fetchers/ConverterFetcher';\nimport AdminFetcher from '../../components/fetchers/AdminFetcher';\n\nclass AdminApp extends Component {\n\n constructor(props) {\n super(props)\n this.state = {\n status: 'list',\n selectedFile: null,\n profiles: [],\n options: [],\n datasets: [],\n profile: null,\n error: false,\n errorMessage: '',\n isLoading: false,\n createdModal: false,\n deleteModal: false\n }\n\n this.showCreateView = this.showCreateView.bind(this)\n this.showUpdateView = this.showUpdateView.bind(this)\n this.showImportView = this.showImportView.bind(this)\n\n this.showCreatedModal = this.showCreatedModal.bind(this)\n this.hideCreatedModal = this.hideCreatedModal.bind(this)\n\n this.showDeleteModal = this.showDeleteModal.bind(this)\n this.hideDeleteModal = this.hideDeleteModal.bind(this)\n\n this.updateProfile = this.updateProfile.bind(this)\n this.storeProfile = this.storeProfile.bind(this)\n this.deleteProfile = this.deleteProfile.bind(this)\n this.downloadProfile = this.downloadProfile.bind(this)\n\n this.updateFile = this.updateFile.bind(this)\n this.uploadFile = this.uploadFile.bind(this)\n this.importFile = this.importFile.bind(this)\n\n this.dispatchView = this.dispatchView.bind(this)\n }\n\n componentDidMount() {\n Promise.all([\n ConverterApi.fetchProfiles(),\n AdminFetcher.listDatasetKlass(),\n ConverterApi.fetchOptions()\n ]).then((responses) => {\n const [profiles, klass, options] = responses;\n const datasets = klass.klass.map((kl) => {\n const pr = kl.properties_release;\n pr.name = kl.label;\n pr.ols = kl.ols_term_id;\n return pr;\n });\n\n this.setState({\n profiles: profiles.profiles, datasets, options: options.options\n });\n });\n }\n\n showImportView() {\n this.setState({\n status: 'import',\n profile: null\n })\n }\n\n showCreateView() {\n this.setState({\n status: 'upload',\n profile: null\n })\n }\n\n showUpdateView(profile) {\n this.setState({\n status: 'update',\n profile: Object.assign({}, profile),\n error: false,\n errorMessage: ''\n })\n }\n\n showCreatedModal() {\n this.setState({\n createdModal: true\n })\n }\n\n hideCreatedModal() {\n this.setState({\n createdModal: false\n })\n }\n\n showDeleteModal(profile) {\n this.setState({\n deleteModal: true,\n profile: Object.assign({}, profile),\n })\n }\n\n hideDeleteModal() {\n this.setState({\n deleteModal: false,\n profile: null\n })\n }\n\n updateProfile(profile) {\n this.setState({ profile })\n }\n\n storeProfile() {\n const { status } = this.state\n if (status == 'create') {\n ConverterApi.createProfile(this.state.profile)\n .then(profile => {\n const profiles = [...this.state.profiles]\n profiles.push(profile)\n this.setState({\n status: 'list',\n profiles: profiles,\n profile: null\n }, this.showCreatedModal())\n })\n } else if (status == 'update') {\n ConverterApi.updateProfile(this.state.profile)\n .then((profile) => {\n const profiles = [...this.state.profiles]\n const index = profiles.findIndex(p => (p.id == profile.id))\n profiles[index] = profile\n this.setState({\n status: 'list',\n profiles: profiles,\n profile: null\n })\n })\n }\n }\n\n deleteProfile() {\n ConverterApi.deleteProfile(this.state.profile)\n .then(() => {\n const profiles = [...this.state.profiles]\n const index = profiles.findIndex(p => (p.id == this.state.profile.id))\n profiles.splice(index, 1)\n this.setState({\n status: 'list',\n profiles: profiles,\n profile: null\n }, this.hideDeleteModal())\n }\n )\n }\n\n downloadProfile(profile) {\n const a = document.createElement('a')\n a.href = 'data:application/json;charset=utf-8,' + encodeURIComponent(JSON.stringify(profile, null, 2))\n a.download = profile.id + '.json'\n document.body.appendChild(a);\n a.click();\n document.body.removeChild(a);\n }\n\n updateFile(event) {\n this.setState({\n selectedFile: event.target.files[0],\n loaded: 0,\n isLoading: false,\n error: false,\n errorMessage: ''\n })\n }\n\n uploadFile() {\n const { selectedFile } = this.state\n\n this.setState({\n isLoading: true\n })\n\n ConverterApi.fetchTables(selectedFile)\n .then(data => {\n if (data) {\n const profile = {\n title: '',\n description: '',\n tables: [],\n identifiers: [],\n data: data,\n }\n\n this.setState({\n status: 'create',\n profile: profile,\n selectedFile: null,\n isLoading: false,\n error: false,\n errorMessage: ''\n })\n }\n })\n .catch(error => {\n if (error.status === 413) {\n this.setState({\n error: true,\n errorMessage: 'The uploaded file is too large.',\n isLoading: false\n })\n } else {\n error.text().then(errorMessage => {\n this.setState({\n error: true,\n errorMessage: JSON.parse(errorMessage).error,\n isLoading: false\n })\n })\n }\n })\n }\n\n importFile() {\n const { selectedFile } = this.state\n\n this.setState({\n isLoading: true\n })\n\n const createProfile = e => {\n const fileProfile = JSON.parse(e.target.result)\n\n ConverterApi.createProfile(fileProfile)\n .then(profile => {\n const profiles = [...this.state.profiles]\n profiles.push(profile)\n this.setState({\n status: 'list',\n profiles: profiles,\n profile: null\n }, this.showCreatedModal())\n })\n .catch(errors => {\n this.setState({\n error: true,\n errorMessage: Object.values(errors).join(', '),\n isLoading: false\n })\n })\n }\n\n const reader = new FileReader()\n reader.readAsText(selectedFile)\n reader.onload = createProfile.bind(this)\n }\n\n dispatchView() {\n if (this.state.status === 'list') {\n return (\n \n \n \n\n \n\n \n {this.dispatchView()}\n \n\n \n \n Profile successfully created! \n \n\n \n \n \n \n\n \n \n Do you really want to delete this profile? \n \n \n \n \n \n \n
\n )\n }\n\n}\n\nexport default AdminApp\n","import React from 'react';\nimport ReactDOM from 'react-dom';\nimport { Grid, Row, Col, Nav, NavItem } from 'react-bootstrap';\nimport { DragDropContext } from 'react-dnd';\nimport HTML5Backend from 'react-dnd-html5-backend';\nimport AdminNavigation from './AdminNavigation';\nimport Notifications from '../components/Notifications';\nimport AdminDashboard from './AdminDashboard';\nimport UserManagement from './UserManagement';\nimport GroupsDevices from './GroupsDevices';\nimport MessagePublish from './MessagePublish';\nimport DataCollector from './DataCollector';\nimport OlsTerms from './OlsTerms';\nimport NovncSettings from './NovncSettings';\nimport MatrixManagement from './MatrixManagement';\nimport TextTemplateContainer from './text_templates/TextTemplateContainer';\nimport GenericElementAdmin from './GenericElementAdmin';\nimport SegmentElementAdmin from './SegmentElementAdmin';\nimport DatasetElementAdmin from './DatasetElementAdmin';\nimport DelayedJobs from './DelayedJobs';\nimport TemplateManagement from './TemplateManagement';\nimport ConverterAdmin from './converter/AdminApp';\n\nclass AdminHome extends React.Component {\n constructor(props) {\n super();\n this.state = {\n showTree: true,\n pageIndex: 0,\n contentClassName: 'small-col main-content',\n };\n this.toggleTree = this.toggleTree.bind(this);\n this.handleSelect = this.handleSelect.bind(this);\n }\n\n toggleTree() {\n const { showTree } = this.state;\n this.setState({\n showTree: !showTree,\n contentClassName: showTree ? 'small-col full-main' : 'small-col main-content'\n });\n }\n\n handleSelect(pageIndex) {\n this.setState({\n pageIndex\n });\n }\n\n\n mainContent() {\n const { pageIndex } = this.state;\n if (pageIndex === 0) {\n return this.renderDashboard();\n } else if (pageIndex === 1) {\n return this.renderUserManagement();\n } else if (pageIndex === 2) {\n return this.renderMessagePublish();\n } else if (pageIndex === 3) {\n return this.renderDataCollector();\n } else if (pageIndex === 4) {\n return this.renderGroupMgnt();\n } else if (pageIndex === 5) {\n return this.renderOlsTerms();\n } else if (pageIndex === 6) {\n return this.renderNovncSettings();\n } else if (pageIndex === 7) {\n return this.renderContent(\n {this.state.status == \"list\" &&\n
\n \n \n \n
\n }\n\n \n {this.state.status == 'list' && 'Profiles List'}\n {['upload', 'create'].includes(this.state.status) && 'Create Profile'}\n {this.state.status == 'update' && 'Edit Profile'}\n {this.state.status == 'import' && 'Import Profile'}\n
\n\n
\n );\n }\n\n renderDashboard() {\n const { contentClassName } = this.state;\n return (\n \n \n \n
\n \n {this.tree()}\n {this.mainContent()}\n
\n \n
\n \n
\n );\n }\n}\n\nconst AdminHomeWithDnD = DragDropContext(HTML5Backend)(AdminHome);\n\ndocument.addEventListener('DOMContentLoaded', () => {\n const domElement = document.getElementById('AdminHome');\n if (domElement) { ReactDOM.render(\n \n
\n );\n };\n\n const options = [];\n const selected = (revisions || []).find(r => r.uuid === compareUUID) || {};\n const selectOptions = (selected && selected[src] &&\n selected[src].select_options) || {};\n\n if (selected.name) {\n const defaultName = {ver}
#{(idx + 1)}
\n
\n {at}
\n {del}\n {dl}\n {ret}\n \n {his}\n
\n );\n }\n}\n\nPreview.propTypes = {\n revisions: PropTypes.array,\n fnRetrive: PropTypes.func,\n fnDelete: PropTypes.func,\n canDL: PropTypes.bool,\n src: PropTypes.oneOf(['properties_release', 'properties'])\n};\n\nPreview.defaultProps = {\n revisions: [], fnRetrive: () => {}, fnDelete: () => {}, src: 'properties_release', canDL: false\n};\n","/* eslint-disable react/forbid-prop-types */\nimport React from 'react';\nimport PropTypes from 'prop-types';\nimport { Button, OverlayTrigger, Tooltip, Popover, ControlLabel } from 'react-bootstrap';\nimport uuid from 'uuid';\nimport { findIndex } from 'lodash';\nimport NotificationActions from '../../components/actions/NotificationActions';\nimport UserStore from '../../components/stores/UserStore';\nimport MatrixCheck from '../../components/common/MatrixCheck';\n\nclass GenericDummy {\n constructor() {\n this.type = 'dummy';\n this.field = uuid.v1();\n this.position = 100;\n this.label = '';\n this.default = '';\n this.required = false;\n }\n}\n\nconst inputEventVal = (event, type) => {\n if (type === 'select') {\n return event ? event.value : null;\n } else if (type.startsWith('drag')) {\n return event;\n } else if (type === 'checkbox') {\n return event.target.checked;\n } else if (type === 'formula-field') {\n if (event.target) {\n return event.target.value;\n }\n return event;\n }\n return event.target && event.target.value;\n};\n\nconst absOlsTermId = val => (val || '').split('|')[0].trim();\nconst absOlsTermLabel = val => val?.replace(absOlsTermId(val), '')?.replace('|', '').trim();\nconst toNum = (val) => {\n const parse = Number((val || ''));\n return Number.isNaN(parse) ? 0 : parse;\n};\n\nconst genUnitSup = (val) => {\n if (typeof val === 'undefined' || val === null) return '';\n const vals = val.match(/<\\s*(\\w+\\b)(?:(?!<\\s*\\/\\s*\\1\\b)[\\s\\S])*<\\s*\\/\\s*\\1\\s*>|[^<]+/g);\n const reV = vals.map((v) => {\n const supVal = v.match(/\n Sketch Map, the data input here will not be saved. \n
\n {layersLayout}
\n \n \n
\n \n \n
\n Please review this Dataset content.}>\n \n
\n Mirror Sample and Reaction data to your chemotion.net account ?\n \n this.transmitting(e, this.props.collection_id, 'POST')}\n >Yes\n \n this.ovltg.hide()}\n >No\n \n \n
\n );\n } else if (status === 'unavailable') {\n content = (\n \n Sorry, it seems chemotion-repository.net can not be reached at the moment\n \n this.ovltg.hide()}\n >OK\n \n \n
\n );\n } else if (status === 'redirect') {\n content = (\n \n {message} \n \n {\n this.ovltg.hide();\n window.location.assign(`${target}pages/tokens?origin=${encodeURI(window.location.origin)}`);\n // window.open(`${target}pages/tokens?origin=${encodeURI(window.location.origin)}` , '_blank');\n }}\n >Yes\n \n this.ovltg.hide()}\n >No\n \n \n
\n );\n } else if (this.ovlg) { this.ovltg.hide(); }\n return \n this.handleTakeOwnership(e)} />\n
\n )\n }\n return ();\n }\n\n handleTakeOwnership() {\n const isSync = !!this.state.root.sharer;\n CollectionActions.takeOwnership({ id: this.state.root.id, isSync });\n }\n\n handleClick(e) {\n const { fakeRoot } = this.props;\n if (fakeRoot) {\n e.stopPropagation();\n return;\n }\n\n const { root } = this.state;\n let { visible } = this.state;\n const uiState = UIStore.getState();\n\n visible = visible || this.isVisible(root, uiState);\n this.setState({ visible });\n let collectionID = 'all';\n if (root.label === 'All' && root.is_locked) {\n Aviator.navigate(`/collection/all/${this.urlForCurrentElement()}`, { silent: true });\n collectionShow({ params: { collectionID } });\n return;\n }\n const url = (this.props.root.sharer)\n ? `/scollection/${root.id}/${this.urlForCurrentElement()}`\n : `/collection/${root.id}/${this.urlForCurrentElement()}`;\n Aviator.navigate(url, { silent: true });\n collectionID = this.state.root.id;\n const collShow = this.props.root.sharer ? scollectionShow : collectionShow;\n collShow({ params: { collectionID } });\n }\n\n urlForCurrentElement() {\n const { currentElement } = ElementStore.getState();\n if (currentElement) {\n if (currentElement.isNew) {\n return `${currentElement.type}/new`;\n }\n return `${currentElement.type}/${currentElement.id}`;\n }\n return '';\n }\n\n toggleExpansion(e) {\n e.stopPropagation()\n let {visible, root} = this.state\n visible = !visible\n this.setState({visible: visible})\n\n let {visibleRootsIds} = CollectionStore.getState()\n if (visible) {\n visibleRootsIds.push(root.id)\n } else {\n let descendantIds = root.descendant_ids\n ? root.descendant_ids\n : root.children.map(function(s) {return s.id})\n descendantIds.push(root.id)\n visibleRootsIds = visibleRootsIds.filter(x => descendantIds.indexOf(x) == -1)\n }\n\n // Remove duplicate\n let newIds = Array.from(new Set(visibleRootsIds))\n CollectionActions.updateCollectrionTree(newIds)\n }\n\n synchronizedIcon(){\n let sharedUsers = this.state.root.sync_collections_users\n return(\n sharedUsers && sharedUsers.length > 0\n ? \n {this.takeOwnershipButton()}\n\n
\n )\n }\n}\n\nCollectionSubtree.propTypes = {\n isRemote: PropTypes.bool,\n root: PropTypes.object\n};\n","import _ from 'lodash';\nimport alt from '../alt';\nimport InboxActions from '../actions/InboxActions';\nimport ElementActions from '../actions/ElementActions';\nimport DetailActions from '../actions/DetailActions';\nimport ElementStore from './ElementStore';\nimport ArrayUtils from '../utils/ArrayUtils';\n\n\nclass InboxStore {\n constructor() {\n this.state = {\n inbox: {},\n cache: [],\n deleteEl: null,\n numberOfAttachments: 0,\n checkedIds: [],\n checkedAll: false,\n inboxModalVisible: false\n };\n\n this.bindListeners({\n handleToggleInboxModal: InboxActions.toggleInboxModal,\n handleFetchInbox: InboxActions.fetchInbox,\n handleFetchInboxCount: InboxActions.fetchInboxCount,\n handleRemoveAttachmentFromList: InboxActions.removeAttachmentFromList,\n handleRemoveUnlinkedAttachmentFromList: InboxActions.removeUnlinkedAttachmentFromList,\n handleRemoveDatasetFromList: InboxActions.removeDatasetFromList,\n handleDeleteAttachment: InboxActions.deleteAttachment,\n handleDeleteContainer: InboxActions.deleteContainer,\n handleBackToInbox: InboxActions.backToInbox,\n handleDeleteContainerLink: InboxActions.deleteContainerLink,\n handleCheckedAll: InboxActions.checkedAll,\n handleCheckedIds: InboxActions.checkedIds,\n\n handleUpdateCreateElementDict: [\n ElementActions.createSample,\n ElementActions.updateSample,\n ElementActions.createReaction,\n ],\n handleUpdateCreateElement: [\n ElementActions.updateReaction,\n ElementActions.createWellplate,\n ElementActions.updateWellplate,\n ElementActions.createScreen,\n ElementActions.updateScreen,\n ],\n handleClose: DetailActions.close,\n handleConfirmDelete: DetailActions.confirmDelete,\n handleDeleteElement: ElementActions.deleteElementsByUIState\n });\n }\n\n handleToggleInboxModal() {\n const { inboxModalVisible } = this.state;\n this.setState({ inboxModalVisible: !inboxModalVisible });\n this.emitChange();\n }\n\n handleFetchInbox(result) {\n this.state.inbox = result;\n this.sync();\n this.countAttachments();\n }\n\n handleFetchInboxCount(result) {\n this.state.numberOfAttachments = result.inbox_count;\n }\n\n handleRemoveAttachmentFromList(attachment) {\n const { inbox } = this.state;\n\n inbox.children.forEach((deviceBox) => {\n deviceBox.children.forEach((dataset) => {\n const index = dataset.attachments.indexOf(attachment);\n if (index !== -1) {\n dataset.attachments.splice(index, 1);\n this.state.cache.push(attachment);\n }\n });\n });\n this.setState(inbox);\n this.countAttachments();\n }\n\n handleRemoveUnlinkedAttachmentFromList(attachment) {\n const { inbox } = this.state;\n\n const index = inbox.unlinked_attachments.indexOf(attachment);\n if (index !== -1) {\n inbox.unlinked_attachments.splice(index, 1);\n this.state.cache.push(attachment);\n }\n\n this.setState(inbox);\n this.countAttachments();\n }\n\n handleRemoveDatasetFromList(dataset) {\n let inbox = this.state.inbox;\n\n inbox.children.forEach(device_box => {\n var index = device_box.children.indexOf(dataset)\n if(index != -1){\n device_box.children[index].attachments.forEach(attachment => {\n this.state.cache.push(attachment)\n })\n device_box.children[index].attachments = []\n }\n })\n\n this.setState(inbox)\n this.countAttachments();\n }\n\n handleDeleteAttachment(result) {\n InboxActions.fetchInbox();\n }\n\n handleDeleteContainerLink(result) {\n InboxActions.fetchInbox();\n }\n\n handleDeleteContainer(result) {\n InboxActions.fetchInbox();\n }\n\n handleBackToInbox(attachment) {\n var attachments = this.state.cache.filter(function(item) {\n if (item.id == attachment.id){\n return item\n }\n })\n\n if (attachments.length == 1) {\n var index = this.state.cache.indexOf(attachments[0])\n this.state.cache.splice(index, 1)\n InboxActions.fetchInbox()\n }else{\n InboxActions.deleteContainerLink(attachment)\n }\n }\n\n getAttachments(containers, all_attachments) {\n if (containers) {\n containers.forEach(container => {\n all_attachments.push.apply(all_attachments, container.attachments)\n this.getAttachments(container.children, all_attachments)\n })\n }\n return all_attachments\n }\n\n updateCache(attachments) {\n this.state.cache = _.differenceBy(this.state.cache, attachments, 'id')\n }\n\n handleUpdateCreateElementDict({ element, closeView }) {\n this.handleUpdateCreateElement(element);\n }\n\n handleUpdateCreateElement(element) {\n if (element && element.isEdited && element.container) {\n const all_attachments = this.getAttachments(element.container.children, [])\n this.updateCache(all_attachments);\n InboxActions.fetchInbox();\n }\n }\n\n handleClose({deleteEl, force}) {\n this.state.deleteEl = deleteEl\n }\n\n handleConfirmDelete(confirm) {\n if(confirm){\n this.handleUpdateCreateElement(this.state.deleteEl)\n }\n this.state.deleteEl = null\n }\n\n handleDeleteElement(result) {\n // if (!result || !result.selecteds) { return null; }\n this.waitFor(ElementStore.dispatchToken);\n const { selecteds } = ElementStore.getState();\n selecteds.forEach(element => this.handleUpdateCreateElement(element));\n }\n\n sync() {\n let inbox = this.state.inbox\n\n inbox.children.forEach(device_box => {\n device_box.children.forEach(dataset => {\n dataset.attachments = _.differenceBy(dataset.attachments, this.state.cache, 'id')\n })\n })\n inbox.unlinked_attachments = _.differenceBy(inbox.unlinked_attachments, this.state.cache, 'id')\n\n this.setState(inbox)\n }\n\n countAttachments() {\n let count = 0;\n const inbox = this.state.inbox\n inbox.children.forEach(device_box => {\n device_box.children.forEach(dataset => {\n count += dataset.attachments.length\n })\n });\n count += inbox.unlinked_attachments.length\n this.state.numberOfAttachments = count;\n }\n\n handleCheckedAll(params) {\n const { checkedAll } = this.state;\n this.setState(({ checkedAll: params.type }));\n return checkedAll;\n }\n\n handleCheckedIds(params) {\n const { inbox, checkedIds } = this.state;\n const unlikedAttachments = inbox.unlinked_attachments;\n if (params.type && params.range === 'child') {\n ArrayUtils.pushUniq(checkedIds, params.ids);\n } else if (params.type === false && params.range === 'child') {\n ArrayUtils.removeFromListByValue(checkedIds || [], params.ids);\n } else if (params.range === 'all' && params.type === true) {\n unlikedAttachments.map(attachment => ArrayUtils.pushUniq(checkedIds, attachment.id));\n this.handleCheckedAll(params);\n } else if (params.range === 'all' && params.type === false) {\n unlikedAttachments.map(attachment => ArrayUtils.removeFromListByValue(checkedIds || [], attachment.id));\n this.handleCheckedAll(params);\n }\n }\n}\n\nexport default alt.createStore(InboxStore, 'InboxStore');\n","import React from 'react';\nimport PropTypes from 'prop-types';\nimport { Button, Tooltip } from 'react-bootstrap';\nimport InboxFetcher from '../fetchers/InboxFetcher';\nimport InboxActions from '../actions/InboxActions';\nimport DragDropItemTypes from '../DragDropItemTypes';\n\nexport default class MoveToAnalysisButton extends React.Component {\n constructor(props) {\n super(props);\n this.state = {\n showTooltip: false,\n loading: false,\n matchingAnalyses: []\n };\n }\n\n fetchMatchingSamples() {\n this.setState({ loading: true });\n const { attachment } = this.props;\n\n InboxFetcher.fetchMatchingSamples(attachment.filename)\n .then((result) => {\n this.setState({ matchingAnalyses: result.samples, loading: false });\n }).catch((errorMessage) => {\n this.setState({ loading: false });\n console.log(errorMessage);\n });\n }\n\n toggleTooltip() {\n const { showTooltip } = this.state;\n if (showTooltip === false && this.matchingAnalysesCount() === 0) {\n this.fetchMatchingSamples();\n }\n\n this.setState(prevState => ({ ...prevState, showTooltip: !prevState.showTooltip }));\n }\n\n matchingAnalysesCount() {\n return (this.state.matchingAnalyses && this.state.matchingAnalyses.length) || 0;\n }\n\n removeAttachment() {\n const { attachment, sourceType } = this.props;\n\n switch (sourceType) {\n default:\n return false;\n case DragDropItemTypes.DATA:\n InboxActions.removeAttachmentFromList(attachment);\n break;\n case DragDropItemTypes.UNLINKED_DATA:\n InboxActions.removeUnlinkedAttachmentFromList(attachment);\n break;\n }\n\n return true;\n }\n\n\n moveToAnalysis(sampleId, attachmentId) {\n InboxFetcher.assignToAnalysis(sampleId, attachmentId)\n .then(() => {\n this.removeAttachment();\n }).catch((errorMessage) => {\n this.setState({ loading: false });\n console.log(errorMessage);\n });\n this.toggleTooltip();\n }\n\n renderAnalysesButtons() {\n const { loading, matchingAnalyses } = this.state;\n const { attachment } = this.props;\n\n if (this.matchingAnalysesCount() === 0) {\n if (loading === true) {\n return (\n {this.expandButton()}\n {this.synchronizedIcon()}\n {gated}\n {label}\n
\n - \n {this.subtrees()}\n
loading...
);\n }\n return (No matching Samples found.
);\n }\n\n return (\n \n Move to Sample:
\n { matchingAnalyses.map(sample => (\n this.renderMoveButton(attachment, sample)\n )) }\n
\n );\n }\n\n renderMoveButton(attachment, sample) {\n return (\n \n { matchingAnalyses.map(sample => (\n this.renderMoveButton(attachment, sample)\n )) }\n
\n this.moveToAnalysis(sample.id, attachment.id)}\n >\n \n {sample.short_label} {sample.name} {sample.type}\n \n
\n
\n );\n }\n\n render() {\n const { showTooltip } = this.state;\n\n const abortButton = (\n \n
\n this.toggleTooltip()}\n >\n \n Abort\n \n
\n );\n\n return (\n \n this.toggleTooltip()} style={{ cursor: \"pointer\" }}> \n {showTooltip ? (\n \n {attachment.filename}\n
\n );\n\n return connectDragSource(\n\n {checkBox}\n {trash} \n handleAttachmentDownload(attachment)} style={{ cursor: 'pointer' }} />\n \n {largerInbox ? (\n \n \n \n \n {moment(attachment.created_at).format('DD.MM.YYYY HH:mm') }\n \n
,\n { dropEffect: 'move' }\n );\n }\n}\n\nexport default DragSource(\n props => props.sourceType,\n dataSource,\n collectSource\n)(AttachmentContainer);\n\nAttachmentContainer.propTypes = {\n attachment: PropTypes.object.isRequired,\n connectDragSource: PropTypes.func.isRequired,\n isDragging: PropTypes.bool.isRequired,\n largerInbox: PropTypes.bool,\n sourceType: PropTypes.string,\n};\n\nAttachmentContainer.defaultProps = {\n largerInbox: false,\n sourceType: ''\n};\n","import React, { Component } from 'react';\nimport PropTypes from 'prop-types';\nimport moment from 'moment';\nimport { DragSource } from 'react-dnd';\nimport { Button, ButtonGroup, Tooltip } from 'react-bootstrap';\nimport AttachmentContainer from './AttachmentContainer';\nimport DragDropItemTypes from '../DragDropItemTypes';\nimport InboxActions from '../actions/InboxActions';\n\nconst dataSource = {\n beginDrag(props) {\n return props;\n }\n};\n\nconst collectSource = (connect, monitor) => ({\n connectDragSource: connect.dragSource(),\n isDragging: monitor.isDragging()\n});\n\nclass DatasetContainer extends Component {\n constructor(props) {\n super(props);\n this.state = {\n visible: false,\n deletingTooltip: false,\n }\n }\n\n attachmentCount() {\n return (this.props.dataset && this.props.dataset.attachments &&\n this.props.dataset.attachments.length) || 0;\n }\n\n deleteDataset() {\n if (this.attachmentCount() === 0) {\n InboxActions.deleteContainerLinkUnselected(this.props.dataset);\n InboxActions.deleteContainer(this.props.dataset);\n } else {\n this.toggleTooltip();\n }\n }\n\n confirmDeleteDataset() {\n InboxActions.deleteContainerLinkUnselected(this.props.dataset);\n InboxActions.deleteContainer(this.props.dataset);\n this.toggleTooltip();\n }\n\n confirmDeleteAttachments() {\n this.toggleTooltip();\n }\n\n toggleTooltip() {\n this.setState(prevState => ({ ...prevState, deletingTooltip: !prevState.deletingTooltip }));\n }\n\n render() {\n const { connectDragSource, sourceType, dataset, largerInbox } = this.props;\n\n if (sourceType === DragDropItemTypes.DATASET) {\n const { visible, deletingTooltip } = this.state;\n const attachments = dataset.attachments.map(attachment => (\n \n
,\n { dropEffect: 'move' }\n );\n }\n\n return null;\n }\n}\n\nexport default DragSource(props => props.sourceType, dataSource, collectSource)(DatasetContainer);\n\nDatasetContainer.propTypes = {\n connectDragSource: PropTypes.func.isRequired,\n isDragging: PropTypes.bool.isRequired,\n sourceType: PropTypes.string.isRequired,\n largerInbox: PropTypes.bool\n};\n\nDatasetContainer.defaultProps = {\n largerInbox: false\n};\n","import React from 'react';\nimport PropTypes from 'prop-types';\n\nimport DatasetContainer from './DatasetContainer';\nimport DragDropItemTypes from '../DragDropItemTypes';\nimport InboxActions from '../actions/InboxActions';\nimport InboxStore from '../stores/InboxStore';\n\nexport default class DeviceBox extends React.Component {\n constructor(props) {\n super(props);\n this.state = {\n visible: false\n };\n }\n\n deleteDeviceBox(deviceBox) {\n InboxActions.deleteContainer(deviceBox);\n }\n\n render() {\n const { device_box, largerInbox } = this.props;\n const { visible } = this.state;\n const cache = InboxStore.getState().cache;\n\n device_box.children.sort((a, b) => {\n if (a.name > b.name) { return 1; } if (a.name < b.name) { return -1; } return 0;\n });\n\n const datasets = device_box.children.map((dataset) => {\n return (\n \n {trash} \n this.setState(prevState => ({ ...prevState, visible: !visible }))}\n >\n \n \n \n {dataset.name}\n \n \n {moment(dataset.created_at).format('DD.MM.YYYY HH:mm') }\n \n
\n {visible ? attachments : null}
\n \n
\n );\n }\n}\n\nDeviceBox.propTypes = {\n device_box: PropTypes.object.isRequired,\n largerInbox: PropTypes.bool\n};\n\nDeviceBox.defaultProps = {\n largerInbox: false\n};\n","import React from 'react';\nimport PropTypes from 'prop-types';\nimport { Row, Col, Table, ListGroup, ListGroupItem, Button, ButtonToolbar } from 'react-bootstrap';\nimport Dropzone from 'react-dropzone';\nimport Utils from '../utils/Functions';\n\nimport InboxActions from '../actions/InboxActions';\nimport AttachmentFetcher from '../fetchers/AttachmentFetcher';\nimport Attachment from '../models/Attachment';\nimport Container from '../models/Container';\n\nexport default class UnsortedDataset extends React.Component {\n constructor(props) {\n super();\n const datasetContainer = Object.assign({}, props.datasetContainer);\n this.state = {\n datasetContainer\n };\n }\n\n handleFileDrop(files) {\n const { datasetContainer } = this.state;\n\n const attachments = files.map(f => Attachment.fromFile(f));\n const firstAttach = datasetContainer.attachments.length === 0;\n datasetContainer.attachments = datasetContainer.attachments.concat(attachments);\n\n if (firstAttach) {\n const attachmentList = datasetContainer.attachments;\n let attachName = attachmentList[attachmentList.length - 1].filename;\n const splitted = attachName.split('.');\n if (splitted.length > 1) {\n splitted.splice(-1, 1);\n attachName = splitted.join('.');\n }\n datasetContainer.name = attachName;\n }\n\n this.setState({ datasetContainer });\n }\n\n handleAttachmentDownload(attachment) {\n Utils.downloadFile({contents: `/api/v1/attachments/${attachment.id}`, name: attachment.filename});\n }\n\n handleAttachmentRemove(attachment) {\n const { datasetContainer } = this.state;\n const index = datasetContainer.attachments.indexOf(attachment);\n\n datasetContainer.attachments[index].is_deleted = true;\n this.setState({ datasetContainer });\n }\n\n handleUndo(attachment) {\n const { datasetContainer } = this.state;\n const index = datasetContainer.attachments.indexOf(attachment);\n\n datasetContainer.attachments[index].is_deleted = false;\n this.setState({ datasetContainer });\n }\n\n handleSave() {\n const { datasetContainer } = this.state;\n const { onModalHide } = this.props;\n return AttachmentFetcher.uploadToInbox(datasetContainer.attachments\n .filter(f => f.is_new && !f.is_deleted))()\n .then(() => { onModalHide(); InboxActions.fetchInbox(); });\n }\n\n listGroupItem(attachment) {\n if (attachment.is_deleted) {\n return (\n \n {datasets.length === 0\n ? (\n this.deleteDeviceBox(device_box)}\n style={{ cursor: 'pointer' }}\n > \n \n ) : null\n }\n this.setState({ visible: !visible })}\n >\n
\n {visible ? datasets : null}
\n | \n | \n
| \n | \n
| \n this.handleAttachmentDownload(attachment)} style={{cursor: 'pointer'}}>{attachment.filename}\n | \n
| \n {this.removeAttachmentButton(attachment)} \n | \n
\n Drop Files, or Click to Select.\n
\n \n );\n }\n\n render() {\n const { onModalHide } = this.props;\n\n return (\n \n \n
\n onHide()}>\n \n \n Upload files to Inbox\n \n \n \n onHide()}\n />\n \n \n
\n )\n } else {\n return \n }\n }\n}\n\nUnsortedDatasetModal.propTypes = {\n onHide: PropTypes.func.isRequired,\n datasetContainer: PropTypes.instanceOf(Container),\n show: PropTypes.bool.isRequired,\n};\nUnsortedDatasetModal.defaultProps = {\n datasetContainer: null,\n};\n","import React from 'react';\nimport PropTypes from 'prop-types';\nimport { Button, Tooltip, ButtonGroup } from 'react-bootstrap';\n\nimport AttachmentContainer from './AttachmentContainer';\nimport DragDropItemTypes from '../DragDropItemTypes';\n\nimport Container from '../models/Container';\nimport UnsortedDatasetModal from './UnsortedDatasetModal';\nimport InboxStore from '../stores/InboxStore';\nimport InboxActions from '../actions/InboxActions';\n\nexport default class UnsortedBox extends React.Component {\n constructor(props) {\n super(props);\n\n const inboxState = InboxStore.getState();\n\n this.state = {\n visible: false,\n checkedAll: inboxState.checkedAll,\n checkedIds: inboxState.checkedIds,\n deletingTooltip: false,\n modal: {\n show: false,\n datasetContainer: null\n }\n };\n this.toggleSelectAllCheckbox = this.toggleSelectAllCheckbox.bind(this);\n this.deleteCheckedAttachment = this.deleteCheckedAttachment.bind(this);\n }\n\n handleFileModalOpen(datasetContainer) {\n const { modal } = this.state;\n modal.datasetContainer = datasetContainer;\n modal.show = true;\n this.setState({ modal });\n }\n\n handleFileModalHide() {\n const { modal } = this.state;\n modal.datasetContainer = null;\n modal.show = false;\n this.setState({ modal });\n document.body.className = document.body.className.replace('modal-open', '');\n }\n\n handleUploadButton() {\n const datasetContainer = Container.buildEmpty();\n datasetContainer.container_type = 'dataset';\n this.handleFileModalOpen(datasetContainer);\n }\n\n hasChecked() {\n const { checkedAll } = this.state;\n return checkedAll;\n }\n\n toggleSelectAllCheckbox() {\n const { checkedAll } = this.state;\n const params = {\n type: false,\n range: 'all'\n };\n if (!checkedAll) {\n params.type = true;\n }\n this.setState(prevState => ({ ...prevState.inboxState, checkedAll: !this.state.checkedAll }));\n InboxActions.checkedAll(params);\n InboxActions.checkedIds(params);\n }\n\n toggleTooltip() {\n this.setState(prevState => ({ ...prevState, deletingTooltip: !prevState.deletingTooltip }));\n }\n\n deleteCheckedAttachment(unsortedBox) {\n const { checkedIds } = this.state;\n checkedIds.forEach((checkedId) => {\n // eslint-disable-next-line array-callback-return\n unsortedBox.map((attachment) => {\n if (checkedId === attachment.id) {\n InboxActions.deleteAttachment(attachment);\n }\n });\n });\n checkedIds.length = 0;\n this.toggleTooltip();\n this.setState({ checkedAll: false });\n }\n\n render() {\n const { unsorted_box, largerInbox } = this.props;\n const { visible, modal, checkedAll } = this.state;\n\n const renderCheckAll = (\n \n \n {this.hasChecked() ? 'Deselect all' : 'Select all' }\n \n
\n );\n\n const trash = (\n \n \n \n \n
\n
\n );\n }\n}\n\nUnsortedBox.propTypes = {\n unsorted_box: PropTypes.array.isRequired,\n largerInbox: PropTypes.bool\n};\n\nUnsortedBox.defaultProps = {\n largerInbox: false\n};\n","import React from 'react';\nimport { Button, OverlayTrigger, Badge, Glyphicon, Tooltip } from 'react-bootstrap';\nimport update from 'immutability-helper';\nimport CollectionStore from './stores/CollectionStore';\nimport CollectionActions from './actions/CollectionActions';\nimport CollectionSubtree from './CollectionSubtree';\nimport UIActions from './actions/UIActions';\nimport InboxActions from './actions/InboxActions';\nimport LoadingActions from './actions/LoadingActions';\nimport UIStore from './stores/UIStore';\nimport ElementStore from './stores/ElementStore';\nimport InboxStore from './stores/InboxStore';\nimport UserInfos from './UserInfos';\n\nimport DeviceBox from './inbox/DeviceBox';\nimport UnsortedBox from './inbox/UnsortedBox';\n\nconst colVisibleTooltip = \n this.setState({ visible: !visible })}\n >\n
\n | \n {visible ? renderCheckAll : null} \n | \n \n {visible ? trash : null} \n | \n
{attachments}
\n {uploadModal}\n \n
\n )\n return this.subtrees(labelledRoots, subTreeLabels,\n false, sharedToCollectionVisible)\n }\n\n remoteSubtrees() {\n let {remoteRoots, sharedWithCollectionVisible} = this.state\n remoteRoots = this.removeOrphanRoots(remoteRoots)\n\n let labelledRoots = remoteRoots.map(e => {\n return update(e, {label: {$set:\n \n {this.labelRoot('shared_by',e)}\n {' '}\n {this.labelRoot('shared_to',e)}\n \n }})\n })\n\n let subTreeLabels = (\n this.setState({sharedToCollectionVisible: !sharedToCollectionVisible})}>\n \n My shared collections\n
\n \n \n
\n )\n\n return this.subtrees(labelledRoots, subTreeLabels,\n false, sharedWithCollectionVisible)\n }\n\n\n inboxSubtrees() {\n const { inbox } = this.state;\n\n let boxes = '';\n if (inbox.children) {\n inbox.children.sort((a, b) => {\n if (a.name > b.name) { return 1; } if (a.name < b.name) { return -1; } return 0;\n });\n boxes = inbox.children.map((deviceBox) => {\n return (\n \n {boxes}\n {inbox.unlinked_attachments\n ?
\n );\n }\n\n remoteSyncInSubtrees() {\n let {syncInRoots, syncCollectionVisible} = this.state\n syncInRoots = this.removeOrphanRoots(syncInRoots)\n\n let labelledRoots = syncInRoots.map(e => {\n return update(e, {label: {$set:\n \n {this.labelRoot('shared_by', e)}\n {' '}\n {this.labelRoot('shared_to', e)}\n \n }})\n })\n\n let subTreeLabels = (\n \n
\n )\n\n return this.subtrees(labelledRoots, subTreeLabels,\n false, syncCollectionVisible)\n }\n\n\n labelRoot(sharedToOrBy, rootCollection) {\n let shared = rootCollection[sharedToOrBy]\n if (!shared) return \n\n return(\n this.setState({syncCollectionVisible: !syncCollectionVisible})}>\n \n Synchronized with me \n
\n \n {label}\n
\n )\n }\n\n collectionManagementButton() {\n return (\n \n {subtrees}\n
\n \n \n
\n )\n }\n\n handleCollectionManagementToggle() {\n UIActions.toggleCollectionManagement();\n const {showCollectionManagement, currentCollection,isSync} = UIStore.getState();\n if(showCollectionManagement) {\n Aviator.navigate('/collection/management');\n } else {\n if( currentCollection == null || currentCollection.label == 'All' ) {\n Aviator.navigate(`/collection/all/${this.urlForCurrentElement()}`);\n } else {\n Aviator.navigate(isSync\n ? `/scollection/${currentCollection.id}/${this.urlForCurrentElement()}`\n : `/collection/${currentCollection.id}/${this.urlForCurrentElement()}`);\n }\n }\n }\n\n urlForCurrentElement() {\n const {currentElement} = ElementStore.getState();\n if(currentElement) {\n if(currentElement.isNew) {\n return `${currentElement.type}/new`;\n }\n else{\n return `${currentElement.type}/${currentElement.id}`;\n }\n }\n else {\n return '';\n }\n }\n\n render() {\n let {ownCollectionVisible, inboxVisible, inbox} = this.state\n\n const ownCollectionDisplay = ownCollectionVisible ? '' : 'none';\n const inboxDisplay = inboxVisible ? '' : 'none';\n\n return (\n \n
\n );\n }\n}\n","import React from 'react';\nimport PropTypes from 'prop-types';\n\nconst PermissionIcons = ({pl}) =>{\n return(pl>-1 ?\n \n \n {pl>0 ? : null}\n {pl>1 ? : null}\n {pl>2 ? : null}\n {pl>3 ? : null}\n {pl>4 ? : null}\n \n : null\n )\n}\n\nPermissionIcons.propTypes = {\n pl: PropTypes.number.isRequired,\n}\n\nexport default PermissionIcons;\n","import React from 'react';\nimport Tree from 'react-ui-tree';\nimport {Button, ButtonGroup, FormControl, Modal} from 'react-bootstrap';\nimport ManagingModalSharing from '../managing_actions/ManagingModalSharing';\nimport CollectionStore from '../stores/CollectionStore';\nimport CollectionActions from '../actions/CollectionActions';\nimport UserInfoIcon from '../UserInfoIcon';\nimport PermissionIcons from '../PermissionIcons'\n\nexport default class MyCollections extends React.Component {\n constructor(props) {\n super(props);\n\n this.state = {\n active: {id: null},\n deleted_ids: [],\n\n tree: {\n label: 'My Collections',\n id: -1,\n children: [{}]\n },\n modalProps: {\n show: false,\n title: \"\",\n component: \"\",\n action: null,\n collection: {},\n selectUsers: true,\n isChange: false\n }\n }\n\n this.onStoreChange = this.onStoreChange.bind(this);\n }\n\n componentDidMount() {\n CollectionStore.listen(this.onStoreChange)\n CollectionActions.fetchUnsharedCollectionRoots()\n }\n\n componentWillUnmount() {\n CollectionStore.unlisten(this.onStoreChange)\n }\n\n onStoreChange(state) {\n let children = state.unsharedRoots.length > 0 ? state.unsharedRoots : [{}];\n\n this.setState({\n tree: {\n label: 'My Collections',\n id: -1,\n children: children\n }\n });\n }\n\n handleChange(tree) {\n this.setState({\n tree: tree,\n isChange: true\n });\n }\n\n isActive(node) {\n return node === this.state.active ? \"node is-active\" : \"node\";\n }\n\n hasChildren(node) {\n return node.children && node.children.length > 0\n }\n\n label(node) {\n if(node.id == -1) {\n return (\n \n {this.collectionManagementButton()}\n \n \n
\n this.setState({ownCollectionVisible: !ownCollectionVisible})}>\n Collections\n
\n \n {this.lockedSubtrees()}\n {this.unsharedSubtrees()}\n
\n \n {this.sharedSubtrees()}\n
\n \n {this.remoteSubtrees()}\n
\n \n {this.remoteSyncInSubtrees()}\n
\n \n
\n \n this.onClickInbox()}\n >\n \n Inbox\n \n {\n this.state.numberOfAttachments > 0 ? {this.state.numberOfAttachments} : ''\n }\n this.refreshInbox()} />\n Show larger Inbox}>\n \n \n\n
\n\n \n { this.inboxSubtrees() }\n
\n \n My Collections\n
\n )\n } else {\n return (\n \n { isChange && }\n {this.addButton(node)}\n
\n )\n } else {\n return (\n \n \n {collection.name}\n \n \n \n \n \n \n\n\n
\n )\n })\n }\n return(\n {users.map(u=>u)}
\n )\n }\n\n doSync(node,action){\n let {modalProps,active} = this.state\n modalProps.title = action == \"CreateSync\"\n ? \"Synchronize '\"+node.label+\"'\"\n : \"Edit Synchronization\"\n modalProps.show = true\n modalProps.action = action\n modalProps.collection = node\n modalProps.selectUsers = action == \"CreateSync\"\n ? true\n : false\n active = node\n this.setState({modalProps,active})\n }\n\n addButton(node) {\n return (\n \n )\n }\n\n addSubcollection(node) {\n if(node.children) {\n node.children.push({\n id: Math.random(),\n label: 'New Collection',\n isNew: true\n });\n } else {\n node.children = [{\n id: Math.random(),\n label: 'New Collection',\n isNew: true\n }];\n }\n }\n\n deleteCollection(node) {\n let children = node.children || [];\n let parent = this.findParentById(this.state.tree, node.id);\n\n this.removeNodeById(parent, node.id)\n this.appendChildrenToParent(parent, children)\n\n if(!node.isNew) {\n let deleted_ids = this.state.deleted_ids.concat([node.id])\n\n this.setState({\n deleted_ids: deleted_ids\n })\n }\n }\n\n appendChildrenToParent(parent, children) {\n if(children.length > 0) {\n children.forEach((child) => {\n parent.children.push(child);\n });\n } else if (parent.label == 'My Collections') {\n parent.children.push({});\n }\n }\n\n findParentById(root, id) {\n if(!root.children) {\n root.children = [];\n return null;\n }\n\n let children = root.children;\n\n for(let i = 0; i < children.length; i++) {\n if(children[i].id == id) {\n return root;\n } else {\n let parent = this.findParentById(children[i], id);\n if(parent) {\n return parent\n }\n }\n }\n }\n\n removeNodeById(parent, id) {\n parent.children = parent.children.filter((child) => {\n return child.id != id\n });\n }\n\n onClickNode(node) {\n if (node.is_locked) {\n this.setState({\n active: {id: null}\n });\n } else {\n this.setState({\n active: node\n });\n }\n }\n\n handleModalHide() {\n this.setState({\n modalProps: {\n show: false,\n title: \"\",\n component: \"\",\n action: null,\n collection: {},\n selectUsers: true,\n }\n });\n }\n\n renderNode(node) {\n if(!Object.keys(node).length == 0) {\n return (\n \n \n {this.label(node)}\n {this.actions(node)}\n \n {this.renderSync(node)}\n
\n );\n }\n }\n render() {\n let mPs = this.state.modalProps\n let mPsC = mPs.collection\n return (\n \n \n \n {mPs.title} \n \n \n \n \n \n
\n )\n }\n}\n","import React from 'react';\nimport Tree from 'react-ui-tree';\nimport {Button, ButtonGroup, FormControl, Modal} from 'react-bootstrap';\nimport ManagingModalSharing from '../managing_actions/ManagingModalSharing';\nimport CollectionStore from '../stores/CollectionStore';\nimport CollectionActions from '../actions/CollectionActions';\n\nexport default class MySharedCollections extends React.Component {\n constructor(props) {\n super(props);\n\n this.state = {\n active: {id: null},\n deleted_ids: [],\n\n tree: {\n label: 'My Shared Collections',\n id: -1,\n children: [{}]\n },\n modalProps: {\n show: false,\n title: \"\",\n component: \"\",\n action: null\n }\n }\n\n this.onStoreChange = this.onStoreChange.bind(this);\n }\n\n componentDidMount() {\n CollectionStore.listen(this.onStoreChange)\n CollectionActions.fetchSharedCollectionRoots()\n }\n\n componentWillUnmount() {\n CollectionStore.unlisten(this.onStoreChange)\n }\n\n onStoreChange(state) {\n let children = state.sharedRoots.length > 0 ? state.sharedRoots : [{}];\n\n this.setState({\n tree: {\n label: 'My Shared Collections',\n children: children\n }\n });\n }\n\n handleChange(tree) {\n let oldTree = this.state.tree\n let children = oldTree.children\n children.map((child,i) => {\n if ('label' in tree && typeof(tree.label) == 'string' && tree.label == child.label){\n children[i]=tree\n return\n }\n });\n oldTree.children = children\n this.setState({\n tree: oldTree\n });\n\n }\n\n isActive(node) {\n return node === this.state.active ? \"node is-active\" : \"node\";\n }\n\n hasChildren(node) {\n return node.children && node.children.length > 0\n }\n\n label(node) {\n if(node.label == \"My Shared Collections\") {\n return (\n \n My Shared Collections\n
\n )\n } else if (node.is_locked) {\n return (\n \n \n
\n )\n } else if (!node.is_locked) {\n return (\n \n \n \n {this.state.modalProps.title} \n \n \n \n \n
\n )\n }\n}\n","import React from 'react';\nimport Tree from 'react-ui-tree';\nimport { Button, ButtonGroup, FormControl, OverlayTrigger, Popover } from 'react-bootstrap';\nimport CollectionStore from '../stores/CollectionStore';\nimport CollectionActions from '../actions/CollectionActions';\n\nexport default class SharedWithMeCollections extends React.Component {\n constructor(props) {\n super(props);\n this.state = {\n tree: {\n label: 'Shared with me Collections',\n id: -1,\n children: [{}]\n }\n }\n this.onStoreChange = this.onStoreChange.bind(this);\n this.handleClick = this.handleClick.bind(this);\n }\n\n componentDidMount() {\n CollectionStore.listen(this.onStoreChange)\n CollectionActions.fetchRemoteCollectionRoots()\n }\n\n componentWillUnmount() {\n CollectionStore.unlisten(this.onStoreChange)\n }\n\n onStoreChange(state) {\n const children = state.remoteRoots.length > 0 ? state.remoteRoots : [{}];\n\n children.map((child) => {\n if (child.is_locked) {\n let label = '';\n if (child.shared_by != null) {\n label = `by ${child.shared_by.initials} (${child.shared_by.name})`;\n }\n if (child.shared_to != null) {\n label += ` with ${child.shared_to.initials} (${child.shared_to.name})`;\n }\n child.label = label;\n }\n return child;\n });\n\n this.setState({\n tree: {\n label: 'Shared with me Collections',\n children\n }\n });\n }\n\n handleClick() {\n this.setState({ show: !this.state.show });\n }\n\n label(node) {\n if(node.label == \"Shared with me Collections\") {\n return (\n \n Synchronized with me Collections\n
\n )\n } else {\n return (\n {node.label} ?
\n
\n
\n )\n }\n}\n","import React from 'react';\nimport Tree from 'react-ui-tree';\nimport { Button, ButtonGroup, FormControl, OverlayTrigger, Popover } from 'react-bootstrap';\nimport CollectionStore from '../stores/CollectionStore';\nimport CollectionActions from '../actions/CollectionActions';\n\nexport default class SyncWithMeCollections extends React.Component {\n constructor(props) {\n super(props);\n this.state = {\n tree: {\n label: 'Synchronized with me Collections',\n id: -1,\n children: [{}],\n }\n }\n this.onStoreChange = this.onStoreChange.bind(this);\n this.handleClick = this.handleClick.bind(this);\n }\n\n componentDidMount() {\n CollectionStore.listen(this.onStoreChange)\n CollectionActions.fetchSyncInCollectionRoots()\n }\n\n componentWillUnmount() {\n CollectionStore.unlisten(this.onStoreChange)\n }\n\n onStoreChange(state) {\n const children = state.syncInRoots.length > 0 ? state.syncInRoots : [{}];\n children.map((child) => {\n if (child.is_locked) {\n let label = '';\n if (child.shared_by != null) {\n label = `by ${child.shared_by.initials} (${child.shared_by.name})`;\n }\n if (child.shared_to != null) {\n label += ` with ${child.shared_to.initials} (${child.shared_to.name})`;\n }\n child.label = label;\n }\n return child;\n });\n\n this.setState({\n tree: {\n label: 'Synchronized with me Collections',\n children\n }\n });\n }\n\n handleClick() {\n this.setState({ show: !this.state.show });\n }\n\n label(node) {\n if (node.root) {\n return (\n \n Synchronized with me Collections\n
\n )\n }\n return (\n {node.label} ?
\n
\n
\n )\n }\n}\n","import React from 'react';\nimport { Tabs, Tab } from 'react-bootstrap';\n\nimport MyCollections from './collection_management/MyCollections';\nimport MySharedCollections from './collection_management/MySharedCollections';\nimport SharedWithMeCollections from './collection_management/SharedWithMeCollections';\nimport SyncWithMeCollections from './collection_management/SyncWithMeCollections';\n\nconst CollectionManagement = () => {\n const tabContents = [\n \n \n {tabContents.map(e => e)}\n \n
\n );\n};\n\nexport default CollectionManagement;\n","import React from 'react'\n\nimport UIActions from './actions/UIActions'\n\nexport default class ElementAllCheckbox extends React.Component {\n constructor(props) {\n super(props)\n\n this.state = {\n showOptions: false,\n currentOption: 2\n }\n\n this.options = [\"current\", \"all\", \"none\"]\n\n this.toggleCheckbox = this.toggleCheckbox.bind(this)\n this.showOptions = this.showOptions.bind(this)\n this.selectAll = this.selectAll.bind(this)\n }\n\n toggleCheckbox(e) {\n let {currentOption} = this.state\n currentOption = (currentOption + 1) % 3\n\n this.setState({currentOption: currentOption}, this.selectAll)\n\n e.preventDefault()\n e.stopPropagation()\n }\n\n showOptions(e) {\n this.setState({ showOptions: !this.state.showOptions })\n }\n\n selectAll(option) {\n if (option == null) option = this.state.currentOption\n let range = this.options[option]\n\n let newChecked = !this.props.checked\n let params = {\n type: this.props.type,\n range: range\n }\n\n if(newChecked) {\n UIActions.checkAllElements(params)\n } else {\n UIActions.uncheckAllElements(params)\n }\n\n this.setState({ showOptions: false, currentOption: option })\n }\n\n render() {\n let {showOptions, currentOption} = this.state\n let {ui, type} = this.props\n\n let checkMarkClass = \"fa \"\n if (ui.checkedAll == true) {\n checkMarkClass += \"fa-check\"\n } else if (ui.checkedIds && ui.checkedIds.size > 0) {\n checkMarkClass += \"fa-minus\"\n }\n let checkMark = ()\n\n let optionStyle = {}\n if (showOptions) {\n optionStyle.display = \"block\"\n } else {\n optionStyle.display = \"none\"\n }\n\n return (\n \n
\n )\n }\n}\n","import React from 'react';\nimport PropTypes from 'prop-types';\nimport { DragSource } from 'react-dnd';\nimport DragDropItemTypes from './DragDropItemTypes';\n\nconst listSource = { beginDrag(props) { return props; } };\n\nconst collectSource = (connect, monitor) => ({\n connectDragSource: connect.dragSource(),\n isDragging: monitor.isDragging(),\n});\n\nconst ElementContainer = ({ connectDragSource, sourceType }) => {\n if (sourceType === DragDropItemTypes.SAMPLE || sourceType === DragDropItemTypes.MOLECULE) {\n return connectDragSource(\n ,\n { dropEffect: 'copy' },\n );\n } else if (sourceType === DragDropItemTypes.GENERALPROCEDURE) {\n return connectDragSource();\n } else if (sourceType === DragDropItemTypes.WELLPLATE ||\n sourceType === DragDropItemTypes.REACTION ||\n sourceType === DragDropItemTypes.RESEARCH_PLAN) {\n return connectDragSource();\n }\n return ;\n};\n\nexport default DragSource(props => props.sourceType, listSource, collectSource)(ElementContainer);\n\nElementContainer.propTypes = {\n connectDragSource: PropTypes.func.isRequired,\n sourceType: PropTypes.string.isRequired,\n};\n","import React from 'react';\nimport UIActions from './actions/UIActions';\n\nexport default class ElementCheckbox extends React.Component {\n constructor(props) {\n super(props);\n this.state = {\n checked: false,\n element: props.element\n }\n }\n\n // eslint-disable-next-line camelcase\n UNSAFE_componentWillReceiveProps(nextProps) {\n const { element, checked } = nextProps;\n this.setState({\n element,\n checked\n });\n }\n\n updateCheckedStatus(element, state) {\n let checked = this.isChecked(element, state);\n this.setState({checked: checked});\n }\n\n toggleCheckbox() {\n let newChecked = !this.props.checked;\n\n if(newChecked) {\n UIActions.checkElement(this.state.element);\n } else {\n UIActions.uncheckElement(this.state.element);\n }\n }\n\n render() {\n return (\n \n \n {checkMark}\n \n \n \n
\n \n
\n this.selectAll(0)}>Current page
\n this.selectAll(1)}>All pages
\n this.selectAll(2)}>None
\n \n
\n );\n }\n\n render() {\n const { element } = this.state;\n\n if (!element.tag || !element.tag.taggable_data ||\n !element.tag.taggable_data.collection_labels)\n return ();\n\n let { currentUser } = UserStore.getState();\n currentUser = currentUser || {};\n\n let placement = 'left';\n if (this.props.placement) placement = this.props.placement;\n\n let collection_labels = element.tag.taggable_data.collection_labels;\n let shared_labels = [];\n let labels = [];\n let sync_labels = [];\n collection_labels.map((label) => {\n if (label) {\n if (label.is_shared == false && label.is_synchronized == false && label.user_id == currentUser.id) {\n labels.push(label);\n } else if (label.is_shared == true && label.is_synchronized == false &&\n (label.user_id == currentUser.id || label.shared_by_id == currentUser.id)) {\n shared_labels.push(label);\n } else if (label.is_synchronized == true && (label.user_id == currentUser.id || label.shared_by_id == currentUser.id)) {\n let isOwner = false;\n if (label.shared_by_id === currentUser.id) {\n isOwner = true;\n }\n sync_labels.push({ ...label, isOwner });\n }\n }\n });\n\n let total_shared_collections = shared_labels.length + sync_labels.length;\n\n if (labels.length == 0 && total_shared_collections == 0)\n return ();\n\n let collectionOverlay = (\n {collectionName}
\n\n {this.formatLabels(labels, is_synchronized)}\n
\n \n \n \n \n \n \n
\n );\n }\n}\n","import React from 'react';\nimport {Label, OverlayTrigger, Popover,Glyphicon, Button} from 'react-bootstrap';\n\nexport default class ElementAnalysesLabels extends React.Component {\n constructor(props) {\n super(props);\n this.state = {\n element: props.element\n }\n }\n\n render() {\n\n return (\n { e.stopPropagation() }}>\n {this.analysesLabels(this.state.element)}\n
\n );\n }\n\n\n\n analysesLabels(element) {\n if (!element.tag) return ()\n if (!element.tag.taggable_data) return ()\n\n let analyses = element.tag.taggable_data.analyses\n\n if (!analyses) return ()\n\n let unconfirmedTitle = 'Unconfirmed Analysis'\n if (analyses.Unconfirmed && Object.keys(analyses.unconfirmed).length > 1)\n unconfirmedTitle = 'Unconfirmed Analyses'\n\n let confirmedTitle = 'Confirmed Analysis'\n if (analyses.Confirmed && Object.keys(analyses.confirmed).length > 1)\n confirmedTitle = 'Confirmed Analyses'\n\n return (\n \n {this.labelWithPopover(unconfirmedTitle, analyses.unconfirmed)}\n {this.labelWithPopover(confirmedTitle, analyses.confirmed)}\n
\n )\n }\n\n labelWithPopover(title, labels) {\n if (!labels) return ()\n\n let {element} = this.state\n let experiment = \n\n let label_popover = (\n \n {previewObj}\n
\n );\n }\n\n render() {\n const { hasPop } = this.props;\n\n if (!hasPop) {\n return this.renderPreview();\n }\n\n return (\n \n \n {this.renderPreview()}\n \n
\n );\n }\n}\n\nSvgWithPopover.propTypes = {\n hasPop: PropTypes.bool.isRequired,\n previewObject: PropTypes.shape({\n txtOnly: PropTypes.string.isRequired,\n isSVG: PropTypes.bool,\n src: PropTypes.string,\n }).isRequired,\n popObject: PropTypes.shape({\n title: PropTypes.string,\n src: PropTypes.string,\n height: PropTypes.string,\n width: PropTypes.string,\n }).isRequired,\n};\n","import React, { Component } from 'react';\nimport SVG from 'react-inlinesvg';\nimport { Tooltip, OverlayTrigger, Table } from 'react-bootstrap';\nimport classnames from 'classnames';\n\nimport ElementContainer from './ElementContainer';\nimport ElementCheckbox from './ElementCheckbox';\nimport ElementCollectionLabels from './ElementCollectionLabels';\nimport ElementAnalysesLabels from './ElementAnalysesLabels';\nimport ArrayUtils from './utils/ArrayUtils';\n\nimport UIStore from './stores/UIStore';\nimport ElementStore from './stores/ElementStore';\nimport KeyboardStore from './stores/KeyboardStore';\n\nimport DragDropItemTypes from './DragDropItemTypes';\nimport { elementShowOrNew } from './routesUtils';\nimport SvgWithPopover from './common/SvgWithPopover';\nimport UserStore from './stores/UserStore';\n\nexport default class ElementsTableEntries extends Component {\n constructor(props) {\n super(props);\n this.state = {\n keyboardElementIndex: null\n };\n\n this.entriesOnKeyDown = this.entriesOnKeyDown.bind(this)\n }\n\n componentDidMount() {\n KeyboardStore.listen(this.entriesOnKeyDown)\n }\n\n componentWillUnmount() {\n KeyboardStore.unlisten(this.entriesOnKeyDown)\n }\n\n entriesOnKeyDown(state) {\n let context = state.context\n const { elements } = this.props;\n\n if (elements[0] == null || context != elements[0].type)\n return false\n\n let documentKeyDownCode = state.documentKeyDownCode\n let {keyboardElementIndex} = this.state\n\n switch(documentKeyDownCode) {\n case 13: // Enter\n case 39: // Right\n if (keyboardElementIndex != null && elements[keyboardElementIndex] != null) {\n this.showDetails(elements[keyboardElementIndex])\n }\n break\n\n case 38: // Up\n if (keyboardElementIndex > 0) {\n keyboardElementIndex--\n } else {\n keyboardElementIndex = 0\n }\n break\n case 40: // Down\n if (keyboardElementIndex == null) {\n keyboardElementIndex = 0\n } else if (keyboardElementIndex < elements.length - 1){\n keyboardElementIndex++\n }\n\n break\n }\n this.setState({keyboardElementIndex})\n }\n\n isElementChecked(element) {\n let {checkedIds, uncheckedIds, checkedAll} = this.props.ui;\n return (checkedAll && ArrayUtils.isValNotInArray(uncheckedIds || [], element.id))\n || ArrayUtils.isValInArray(checkedIds || [], element.id);\n }\n\n isElementSelected(element) {\n const {currentElement} = this.props;\n return (currentElement && currentElement.id == element.id);\n }\n\n // eslint-disable-next-line class-methods-use-this\n isCurrEleDropType(type) {\n const { currentElement } = ElementStore.getState();\n const targets = {\n sample: ['reaction', 'wellplate'],\n reaction: ['research_plan'],\n wellplate: ['screen', 'research_plan'],\n generalProcedure: ['reaction'],\n research_plan: ['screen']\n };\n return type && currentElement && targets[type].includes(currentElement.type);\n }\n\n showDetails(element) {\n const { currentCollection, isSync } = UIStore.getState();\n const { id, type } = element;\n const uri = isSync\n ? `/scollection/${currentCollection.id}/${type}/${id}`\n : `/collection/${currentCollection.id}/${type}/${id}`;\n Aviator.navigate(uri, { silent: true });\n const e = { type, params: { collectionID: currentCollection.id } };\n e.params[`${type}ID`] = id;\n\n const genericEls = (UserStore.getState() && UserStore.getState().genericEls) || [];\n if (genericEls.find(el => el.name == type)) {\n e.klassType = 'GenericEl';\n }\n\n elementShowOrNew(e)\n }\n\n dragHandle(element) {\n const sourceType = this.dropSourceType(element);\n return (\n {icon}
\n | \n \n | \n this.showDetails(element)} style={{ cursor: 'pointer' }} width={element.type === 'research_plan' ? '280px': 'unset'}>\n \n {\n \n \n {sampleMoleculeName}\n | \n {this.previewColumn(element)}\n {this.dragColumn(element)}\n
\n
\n )\n }\n}\n","import React from 'react';\nimport { Label, Modal, Button } from 'react-bootstrap';\n\nimport ElementActions from './actions/ElementActions';\nimport ElementStore from './stores/ElementStore';\n\nexport default class ElementWellplateLabels extends React.Component {\n constructor(props) {\n super(props);\n\n this.state = {\n showWarning: false,\n clicked: false\n }\n\n let { element } = props;\n\n this.handleOnClick = this.handleOnClick.bind(this)\n this.closeWarning = this.closeWarning.bind(this)\n\n this.onStoreChange = this.onStoreChange.bind(this)\n }\n\n componentDidMount() {\n ElementStore.listen(this.onStoreChange)\n }\n\n componentWillUnmount() {\n ElementStore.unlisten(this.onStoreChange)\n }\n\n onStoreChange(state) {\n if (this.state.showWarning != state.elementWarning) {\n this.setState({\n showWarning: state.elementWarning\n })\n }\n }\n\n closeWarning() {\n this.setState({ showWarning: false });\n ElementActions.closeWarning();\n }\n\n handleOnClick(e) {\n let { element } = this.props;\n\n ElementActions.tryFetchWellplateById(element.tag.taggable_data.wellplate_id)\n this.setState({ clicked: true });\n e.stopPropagation();\n }\n\n render() {\n let { element } = this.props;\n\n if (!element.tag || !element.tag.taggable_data ||\n !element.tag.taggable_data.wellplate_id) {\n return ();\n }\n\n const { showWarning, clicked } = this.state;\n\n const wellplate = \n\n return (\n \n \n \n \n
\n {/* */}\n \n \n \n No Access to Element \n \n \n Sorry, you cannot access this Reaction.\n \n \n \n \n \n
\n \n
\n )\n }\n}\n","import React from 'react';\nimport { Label, Modal, Button } from 'react-bootstrap';\nimport ElementActions from '../actions/ElementActions';\nimport ElementStore from '../stores/ElementStore';\nimport UserStore from '../stores/UserStore';\n\nexport default class GenericElementLabels extends React.Component {\n constructor(props) {\n super(props);\n this.state = { showWarning: false, clicked: false };\n this.handleOnClick = this.handleOnClick.bind(this);\n this.closeWarning = this.closeWarning.bind(this);\n this.onStoreChange = this.onStoreChange.bind(this);\n }\n\n componentDidMount() {\n ElementStore.listen(this.onStoreChange);\n }\n\n componentWillUnmount() {\n ElementStore.unlisten(this.onStoreChange);\n }\n\n onStoreChange(state) {\n if (this.state.showWarning !== state.elementWarning) {\n this.setState({ showWarning: state.elementWarning });\n }\n }\n\n closeWarning() {\n this.setState({ showWarning: false });\n ElementActions.closeWarning();\n }\n\n handleOnClick(e) {\n const { element } = this.props;\n const elInfo = element.tag.taggable_data.element || {};\n ElementActions.tryFetchGenericElById(elInfo.id);\n this.setState({ clicked: true });\n e.stopPropagation();\n }\n\n render() {\n const { element } = this.props;\n if (!element.tag || !element.tag.taggable_data || !element.tag.taggable_data.element) {\n return ();\n }\n const elInfo = element.tag.taggable_data.element;\n const klasses = UserStore.getState().genericEls;\n const klass = (klasses && klasses.find(el => el.name === elInfo.type)) || {};\n const { showWarning, clicked } = this.state;\n return (\n \n \n \n \n
\n {/* */}\n \n \n \n No Access to Element \n \n \n Sorry, you cannot access this Wellplate.\n \n \n \n \n \n
\n \n
\n );\n }\n}\n","import React from 'react';\nimport PropTypes from 'prop-types';\n\nconst PubchemLabels = ({element}) =>{\n let cid = element.pubchem_tag && element.pubchem_tag.pubchem_cid\n let labelStyle = {\n display: 'inline-block',\n marginLeft: \"5px\",\n marginRight: \"5px\"\n };\n if (!cid) {labelStyle.WebkitFilter = \"grayscale(100%)\"}\n const handleOnClick = (e) => {\n if (!!cid){\n window.open(\"https://pubchem.ncbi.nlm.nih.gov/compound/\" + cid, '_blank')\n }\n e.stopPropagation()\n }\n return (\n \n \n \n \n \n
\n \n \n \n No Access to Element \n \n Sorry, you cannot access this Element. \n \n \n \n \n
\n ![](\"/images/wild_card/pubchem.svg\")
\n \n )\n}\n\nPubchemLabels.propTypes = {\n element: PropTypes.object,\n}\n\nexport default PubchemLabels;\n","import React from 'react';\nimport PropTypes from 'prop-types';\n\nconst ChemrepoLabels = ({ chemrepoId }) => {\n const id = chemrepoId;\n const handleOnClick = (e) => {\n e.stopPropagation();\n };\n return (\n id == null ? :\n (\n \n \n
\n );\n }\n return (\n \n {polymerName} \n
\n
\n );\n};\n\nexport default SampleName;\n","import React, { Component } from 'react';\nimport { Table, Button, Tooltip, OverlayTrigger, Label } from 'react-bootstrap';\nimport PropTypes from 'prop-types';\nimport ElementCheckbox from './ElementCheckbox';\nimport ElementCollectionLabels from './ElementCollectionLabels';\nimport ElementAnalysesLabels from './ElementAnalysesLabels';\nimport ElementReactionLabels from './ElementReactionLabels';\nimport ElementWellplateLabels from './ElementWellplateLabels';\nimport GenericElementLabels from './generic/GenericElementLabels';\nimport PubchemLabels from './PubchemLabels';\nimport ChemrepoLabels from './ChemrepoLabels';\nimport ComputedPropLabel from './computed_props/ComputedPropLabel';\nimport ArrayUtils from './utils/ArrayUtils';\nimport ElementContainer from './ElementContainer';\n\nimport UIStore from './stores/UIStore';\nimport ElementStore from './stores/ElementStore';\nimport KeyboardStore from './stores/KeyboardStore';\n\nimport DragDropItemTypes from './DragDropItemTypes';\nimport SampleName from './common/SampleName';\nimport { sampleShowOrNew } from './routesUtils';\nimport SvgWithPopover from './common/SvgWithPopover';\nimport { ShowUserLabels } from './UserLabels';\n\nconst buildFlattenSampleIds = (displayedMoleculeGroup) => {\n let flatIndex = 0;\n const flattenSamplesId = [];\n\n displayedMoleculeGroup.forEach((groupSample, index) => {\n const length = displayedMoleculeGroup[index].numSamples;\n for (let i = 0; i < length; i++) {\n flattenSamplesId[flatIndex + i] = groupSample[i].id;\n }\n flatIndex += length;\n });\n\n return flattenSamplesId;\n};\n\nconst showDetails = (id) => {\n const { currentCollection, isSync } = UIStore.getState();\n const uri = `/${isSync ? 's' : ''}collection/${currentCollection.id}/sample/${id}`;\n Aviator.navigate(uri, { silent: true });\n sampleShowOrNew({ params: { sampleID: id, collectionID: currentCollection.id } });\n};\n\nconst targets = {\n sample: ['reaction', 'wellplate', 'device', 'research_plan'],\n molecule: ['reaction'],\n};\n\nconst isCurrEleDropType = (sourceType, targetType) => {\n if ((sourceType == 'molecule' || sourceType == 'sample') && !['wellplate', 'device', 'research_plan'].includes(targetType)) {\n return sourceType && targetType;\n }\n return sourceType && targetType && targets[sourceType].includes(targetType);\n};\n\nconst dragColumn = (element, showDragColumn, sourceType, targetType) => {\n if (showDragColumn) {\n return (\n e.stopPropagation()}>\n is decoupled from molecule}>\n \n \n
) : null);\n\nconst overlayToggle = \n {\n showPreviews\n ?
\n);\n\nconst MoleculeHeader = ({ sample, show, showDragColumn, onClick, targetType }) => {\n const showIndicator = (show) ? 'glyphicon-chevron-down' : 'glyphicon-chevron-right';\n\n const { collId, showPreviews } = UIStore.getState();\n return (\n (No-structure sample)
\n \n \n \n \n \n
\n \n
\n
\n \n
\n \n
\n \n {showDecoupledIcon(sample)}\n
\n \n {dragColumn(sample, showDragColumn, DragDropItemTypes.SAMPLE, this.state.targetType)}\n \n \n { items }\n \n
\n )\n }\n\n handleNumberOfResultsChange(event) {\n const { value } = event.target;\n const { type } = this.props;\n console.log(type);\n if (parseInt(value, 10) > 0) {\n UIActions.changeNumberOfResultsShown(value);\n ElementActions.refreshElements(type);\n }\n }\n\n numberOfResultsInput() {\n const { ui } = this.state\n return (\n \n );\n }\n\n toggleProductOnly() {\n UIActions.setProductOnly(!this.state.productOnly);\n }\n\n changeDateFilter() {\n let { filterCreatedAt } = this.state;\n filterCreatedAt = !filterCreatedAt;\n UIActions.setFilterCreatedAt(filterCreatedAt);\n }\n\n setFromDate(fromDate) {\n if (this.state.fromDate !== fromDate) UIActions.setFromDate(fromDate);\n }\n\n setToDate(toDate) {\n if (this.state.toDate !== toDate) UIActions.setToDate(toDate);\n }\n\n renderHeader() {\n const {\n sampleCollapseAll,\n moleculeSort, ui,\n advancedSearch, productOnly\n } = this.state;\n const { fromDate, toDate } = ui;\n const { type, showReport } = this.props;\n\n const collapseIcon = sampleCollapseAll ? 'chevron-right' : 'chevron-down';\n\n let switchBtnTitle = 'Change sorting to sort by ';\n let checkedLbl = 'Molecule';\n let uncheckedLbl = 'Sample';\n if (advancedSearch) {\n switchBtnTitle += (moleculeSort ? 'order of input' : 'sample last updated');\n checkedLbl = 'Updated';\n uncheckedLbl = 'Order';\n } else {\n switchBtnTitle += (moleculeSort ? 'Sample' : 'Molecule');\n }\n\n let sampleHeader = ();\n if (type === 'sample') {\n const color = productOnly ? '#5cb85c' : 'currentColor';\n sampleHeader = (\n \n \n \n \n
\n );\n\n\n return (\n \n
\n \n
\n \n {sampleHeader}\n \n
\n );\n }\n\n renderEntries() {\n const {\n elements,\n ui,\n currentElement,\n sampleCollapseAll,\n moleculeSort\n } = this.state\n\n const {overview, type} = this.props\n let elementsTableEntries = null\n\n if (type === 'sample') {\n elementsTableEntries = (\n \n
\n {headerRight}\n \n {elementsTableEntries}\n
\n )\n }\n\n render() {\n return (\n \n {this.renderHeader()}\n {this.renderEntries()}\n
\n );\n }\n}\n","import React, { Component } from 'react';\nimport PropTypes from 'prop-types';\nimport { OverlayTrigger, Tooltip } from 'react-bootstrap';\nimport { DragSource, DropTarget } from 'react-dnd';\nimport flow from 'lodash/flow';\nimport UserStore from './stores/UserStore';\n\nimport DragDropItemTypes from './DragDropItemTypes';\n\nconst layoutSource = {\n beginDrag(props) {\n return props;\n }\n};\n\nconst layoutTarget = {\n drop(props, monitor, component) {\n props.moveLayout(monitor.getItem(), props);\n }\n};\n\nclass TabLayoutCell extends Component {\n\n render() {\n const {\n connectDragSource, sourceType, isHidden, cell, connectDropTarget, isElementDetails, title\n } = this.props;\n\n const styleObj = {\n fontSize: 12,\n color: '#000000',\n textAlign: 'center',\n wordWrap: 'break-word'\n };\n\n const constEls = ['sample', 'reaction', 'screen', 'wellplate', 'research_plan'];\n let iconCell = `icon-${cell}`;\n let ttl = cell && (cell.replace('_', ' ').replace(/(^\\w|\\s\\w)/g, m => m.toUpperCase()));\n let ttd = '';\n\n if (!constEls.includes(cell)) {\n const genericEls = UserStore.getState().genericEls || [];\n const genericEl = (genericEls && genericEls.find(el => el.name === cell)) || {};\n iconCell = `${genericEl.icon_name}`;\n ttl = genericEl.label;\n ttd = genericEl.desc;\n }\n\n const layoutCell = isElementDetails ? (\n \n \n
\n
\n \n {title === 'hidden' ? '-' : title}\n
\n {ttd}}>
\n
\n )\n }\n const popoverSettings = (\n Settings
\n\n \n \n Show schemes images\n \n \n \n \n Show sample external name on title\n \n \n Show sample short label\n \n \n Show sample name\n \n \n
\n \n
\n {sampleSettings}\n \n )\n\n return (\n Table Layout
\n\n { this.layout = n; }}\n />\n
\n {genericEl.desc}
No Spectra Found!
\nPlease refresh the page!
\n\n
Click here to close the window...
\n\n { content }\n
\n );\n }\n\n renderInvalid() {\n const { fetched } = this.state;\n const content = fetched\n ? (\n Invalid spectrum!
\nPlease delete it and upload a valid file!
\n\n
Click here to close the window...
\n\n { content }\n
\n );\n }\n\n renderSpectraEditor(jcamp, predictions, listMuliSpcs, listEntityFiles) {\n const { sample } = this.props;\n const {\n entity, isExist,\n } = FN.buildData(jcamp);\n\n let currEntity = entity;\n\n let multiEntities = false;\n let entityFileNames = false;\n if (!isExist) {\n if (!listMuliSpcs || listMuliSpcs.length === 0) return this.renderInvalid();\n listMuliSpcs = listMuliSpcs.filter((x => x !== undefined));\n listEntityFiles = listEntityFiles.filter((x => x !== undefined));\n multiEntities = listMuliSpcs.map((spc) => {\n const {\n entity\n } = FN.buildData(spc.jcamp);\n currEntity = entity;\n return entity;\n });\n entityFileNames = listEntityFiles.map(x => x.label);\n }\n\n const others = this.buildOthers();\n const operations = this.buildOpsByLayout(currEntity);\n const descriptions = this.getQDescVal();\n const forecast = {\n btnCb: this.predictOp,\n refreshCb: this.saveOp,\n molecule: 'molecule',\n predictions,\n };\n\n return (\n \n \n { modalTitle }\n \n \n \n Close without Save\n \n \n
\n );\n }\n\n onSpectraDescriptionChanged(value) {\n const { spcInfos, spcIdx } = this.state;\n const sis = spcInfos.filter(x => x.idx === spcIdx);\n const si = sis.length > 0 ? sis[0] : spcInfos[0];\n const { sample } = this.props;\n sample.analysesContainers().forEach((ae) => {\n if (ae.id !== si.idAe) return;\n ae.children.forEach((ai) => {\n if (ai.id !== si.idAi) return;\n ai.extended_metadata.content.ops = value.ops;\n });\n });\n }\n\n render() {\n const { showModal } = this.state;\n\n const { jcamp, predictions, idx, listMuliSpcs, listEntityFiles } = this.getContent();\n const dialogClassName = 'spectra-editor-dialog';\n // WORKAROUND: react-stickydiv duplicates elements.\n const specElements = Array.from(document.getElementsByClassName(dialogClassName));\n if (specElements.length > 1) {\n specElements.slice(1).forEach(el => el.parentNode.style.display = 'none'); // eslint-disable-line\n }\n // WORKAROUND: react-stickydiv duplicates elements.\n\n return (\n \n this.onDSSelectChange(e)}\n />\n
\n \n \n {\n this.renderTitle(idx)\n }\n {\n showModal && (jcamp || (listMuliSpcs && listMuliSpcs.length > 0))\n ? this.renderSpectraEditor(jcamp, predictions, listMuliSpcs, listEntityFiles)\n : this.renderEmpty()\n }\n \n
\n );\n }\n}\n\nViewSpectra.propTypes = {\n sample: PropTypes.object.isRequired,\n handleSampleChanged: PropTypes.func.isRequired,\n handleSubmit: PropTypes.func.isRequired,\n};\n\nexport default ViewSpectra;\n","/* eslint-disable class-methods-use-this */\nimport alt from '../alt';\nimport TextTemplatesFetcher from '../fetchers/TextTemplatesFetcher';\n\nclass TextTemplateActions {\n fetchTextTemplates(elementName) {\n return (dispatch) => {\n TextTemplatesFetcher.fetchTextTemplates(elementName)\n .then(result => dispatch(result))\n .catch((errorMessage) => { console.log(errorMessage); });\n };\n }\n\n fetchPredefinedTemplateNames() {\n return (dispatch) => {\n TextTemplatesFetcher.fetchPredefinedTemplateNames()\n .then(result => dispatch(result))\n .catch((errorMessage) => { console.log(errorMessage); });\n };\n }\n\n fetchPredefinedTemplateByNames(names) {\n return (dispatch) => {\n TextTemplatesFetcher.fetchPredefinedTemplateByNames(names)\n .then(result => dispatch(result))\n .catch((errorMessage) => { console.log(errorMessage); });\n };\n }\n\n updateTextTemplates(elName, templates) {\n return (dispatch) => {\n TextTemplatesFetcher.updateTextTemplates(elName, templates)\n .then((result) => {\n if (result) {\n dispatch({ [elName]: templates });\n }\n }).catch((errorMessage) => {\n console.log(errorMessage);\n });\n };\n }\n}\n\nexport default alt.createActions(TextTemplateActions);\n","import { Map, OrderedSet, fromJS } from 'immutable';\n\nimport alt from '../alt';\n\nimport TextTemplateActions from '../actions/TextTemplateActions';\n\nclass TextTemplateStore {\n constructor() {\n this.state = {\n sample: Map(),\n reaction: Map(),\n screen: Map(),\n wellplate: Map(),\n researchPlan: Map(),\n reactionDescription: Map(),\n predefinedTemplateNames: OrderedSet(),\n fetchedPredefinedTemplates: Map()\n };\n\n this.bindListeners({\n handleFetchTextTemplates: TextTemplateActions.fetchTextTemplates,\n handleFetchPredefinedTemplateNames: TextTemplateActions.fetchPredefinedTemplateNames,\n handleUpdateTextTemplates: TextTemplateActions.updateTextTemplates,\n handleFetchTemplateByNames: TextTemplateActions.fetchPredefinedTemplateByNames,\n });\n }\n\n handleFetchTextTemplates(templates) {\n Object.keys(templates).forEach((templateType) => {\n const templateVal = templates[templateType];\n this.state[templateType] = fromJS(templateVal);\n });\n }\n\n handleUpdateTextTemplates(templates) {\n Object.keys(templates).forEach((templateType) => {\n const templateVal = templates[templateType];\n this.state[templateType] = fromJS(templateVal);\n });\n }\n\n handleFetchPredefinedTemplateNames(names) {\n const { predefinedTemplateNames } = this.state;\n this.state.predefinedTemplateNames = predefinedTemplateNames.concat(OrderedSet(names));\n }\n\n handleFetchTemplateByNames(templates) {\n let fetchedTemplates = this.state.fetchedPredefinedTemplates;\n templates.forEach((template) => {\n fetchedTemplates = fetchedTemplates.set(template.name, fromJS(template));\n });\n\n this.state.fetchedPredefinedTemplates = fetchedTemplates;\n }\n}\n\nexport default alt.createStore(TextTemplateStore, 'TextTemplateStore');\n","import Element from './Element';\n\nexport default class GenericDS extends Element {\n static buildEmpty(klass, containerId) {\n const template = (klass && klass.properties_release) || {};\n return new GenericDS({\n dataset_klass_id: klass && klass.id,\n element_type: 'Container',\n element_id: containerId,\n properties: template,\n klass_ols: klass.ols_term_id,\n klass_label: klass.label,\n changed: false\n });\n }\n\n serialize() {\n return super.serialize({\n dataset_klass_id: this.dataset_klass_id,\n element_type: 'Container',\n element_id: this.element_id,\n properties: this.properties,\n });\n }\n\n get datasetKlassId() {\n return this.dataset_klass_id;\n }\n\n /**\n * @param {any} datasetKlassId\n */\n set datasetKlassId(datasetKlassId) {\n this.dataset_klass_id = datasetKlassId;\n }\n\n get getProperties() {\n return this.properties;\n }\n\n /**\n * @param {any} properties\n */\n set setProperties(properties) {\n this.properties = properties;\n }\n\n get klassOls() {\n return this.klass_ols;\n }\n\n set klassOls(klassOls) {\n this.klass_ols = klassOls;\n }\n\n get klassLabel() {\n return this.klass_label;\n }\n\n set klassLabel(klassLabel) {\n this.klass_label = klassLabel;\n }\n}\n","/* eslint-disable react/forbid-prop-types */\nimport React, { Component } from 'react';\nimport PropTypes from 'prop-types';\nimport { findIndex, cloneDeep } from 'lodash';\nimport { Panel, Button, ButtonToolbar, OverlayTrigger, Tooltip } from 'react-bootstrap';\nimport UserStore from '../stores/UserStore';\nimport { LayersLayout } from './GenericElCommon';\nimport MatrixCheck from '../common/MatrixCheck';\nimport { genUnits, toBool, toNum, unitConversion, absOlsTermLabel } from '../../admin/generic/Utils';\n\nclass GenericDSDetails extends Component {\n constructor(props) {\n super(props);\n this.handleInputChange = this.handleInputChange.bind(this);\n this.handleUnitClick = this.handleUnitClick.bind(this);\n this.handleReload = this.handleReload.bind(this);\n }\n\n handleInputChange(event, field, layer, type = 'text') {\n const { genericDS } = this.props;\n const { properties } = genericDS;\n let value = '';\n switch (type) {\n case 'checkbox':\n value = event.target.checked;\n break;\n case 'select':\n value = event ? event.value : null;\n break;\n case 'formula-field':\n if (event.target) {\n ({ value } = event.target);\n } else {\n value = event;\n }\n break;\n case 'integer':\n ({ value } = event.target);\n value = Math.trunc(value);\n break;\n default:\n ({ value } = event.target);\n }\n properties.layers[`${layer}`].fields.find(e => e.field === field).value = value;\n if (type === 'system-defined' && (!properties.layers[`${layer}`].fields.find(e => e.field === field).value_system || properties.layers[`${layer}`].fields.find(e => e.field === field).value_system === '')) {\n const opt = properties.layers[`${layer}`].fields.find(e => e.field === field).option_layers;\n properties.layers[`${layer}`].fields.find(e => e.field === field).value_system = genUnits(opt)[0].key;\n }\n genericDS.properties = properties;\n genericDS.changed = true;\n this.props.onChange('dataset', { target: { value: genericDS } });\n }\n\n handleUnitClick(layer, obj) {\n const { genericDS } = this.props;\n const { properties } = genericDS;\n const newVal = unitConversion(obj.option_layers, obj.value_system, obj.value);\n properties.layers[`${layer}`].fields.find(e => e.field === obj.field).value_system = obj.value_system;\n properties.layers[`${layer}`].fields.find(e => e.field === obj.field).value = newVal;\n genericDS.properties = properties;\n genericDS.changed = true;\n this.props.onChange('dataset', { target: { value: genericDS } });\n }\n\n handleReload() {\n const { klass, genericDS } = this.props;\n if (klass.properties_release) {\n const newProps = cloneDeep(klass.properties_release);\n newProps.klass_uuid = klass.uuid;\n Object.keys(newProps.layers).forEach((key) => {\n const newLayer = newProps.layers[key] || {};\n const curFields = (genericDS.properties.layers[key] && genericDS.properties.layers[key].fields) || [];\n (newLayer.fields || []).forEach((f, idx) => {\n const curIdx = findIndex(curFields, o => o.field === f.field);\n if (curIdx >= 0) {\n const curVal = genericDS.properties.layers[key].fields[curIdx].value;\n const curType = typeof curVal;\n if (['select', 'text', 'textarea', 'formula-field'].includes(newProps.layers[key].fields[idx].type)) {\n newProps.layers[key].fields[idx].value = curType !== 'undefined' ? curVal.toString() : '';\n }\n if (newProps.layers[key].fields[idx].type === 'integer') {\n newProps.layers[key].fields[idx].value = (curType === 'undefined' || curType === 'boolean' || isNaN(curVal)) ? 0 : parseInt(curVal, 10);\n }\n if (newProps.layers[key].fields[idx].type === 'checkbox') {\n newProps.layers[key].fields[idx].value = curType !== 'undefined' ? toBool(curVal) : false;\n }\n if (newProps.layers[key].fields[idx].type === 'system-defined') {\n const units = genUnits(newProps.layers[key].fields[idx].option_layers);\n const vs = units.find(u =>\n u.key === genericDS.properties.layers[key].fields[curIdx].value_system);\n newProps.layers[key].fields[idx].value_system = (vs && vs.key) || units[0].key;\n newProps.layers[key].fields[idx].value = toNum(curVal);\n }\n }\n });\n });\n genericDS.properties = newProps;\n genericDS.dataset_klass_id = klass.id;\n genericDS.klass_ols = klass.ols_term_id;\n genericDS.klass_label = klass.label;\n genericDS.changed = true;\n this.props.onChange('dataset', { target: { value: genericDS } });\n } else {\n this.props.onChange('dataset', { target: { value: undefined } });\n }\n }\n\n elementalPropertiesItem(genericDS, klass) {\n const layersLayout = LayersLayout(\n genericDS.properties.layers,\n (klass.properties_release && klass.properties_release.select_options) || {},\n this.handleInputChange,\n this.handleUnitClick\n );\n return ({layersLayout}
);\n }\n\n render() {\n const { genericDS, klass, kind } = this.props;\n const currentUser = (UserStore.getState() && UserStore.getState().currentUser) || {};\n if (genericDS && MatrixCheck(currentUser.matrix, 'genericDataset') && Object.keys(genericDS).length !== 0) {\n return (\n \n Selected analysis type: {absOlsTermLabel(kind)}
\n Content is designed for: {genericDS.klass_label}\n \n
\n \n {dataList}\n \n
\n );\n};\n\nChildOverlay.propTypes = {\n dataList: PropTypes.object,\n overlayAttributes: PropTypes.object\n};\n\nexport default ChildOverlay;\n","import React, { Component } from 'react';\nimport PropTypes from 'prop-types';\nimport { Row, Col, FormGroup, FormControl, ControlLabel, Table, ListGroup, ListGroupItem, Button, Overlay } from 'react-bootstrap';\n\n\nexport default class HyperLinksSection extends Component {\n constructor(props) {\n super(props);\n this.state = {\n link: null\n };\n\n this.handleAddLink = this.handleAddLink.bind(this);\n this.handleLinkInputChange = this.handleLinkInputChange.bind(this);\n this.handleRemoveLink = this.handleRemoveLink.bind(this);\n }\n \n handleLinkInputChange(event) {\n const { value } = event.target;\n\n this.setState({ link: value })\n }\n\n handleAddLink() {\n const { link } = this.state;\n this.props.onAddLink(link); \n this.setState({ link: null })\n }\n\n renderHyperLinkInput() {\n const { link } = this.state;\n const { disabled } = this.props;\n\n if(disabled) {\n return ;\n }\n\n return (\n \n \n {\n hyperLinks.map((link) => {\n return (\n \n {this.listLinkItem(link)}\n \n );\n })\n }\n \n
\n );\n }\n return (\n \n There are currently no Datasets.
\n
\n );\n }\n\n handleRemoveLink(link) {\n this.props.onRemoveLink(link); \n }\n\n removeLinkButton(link) {\n const { readOnly, disabled } = this.props;\n if (!readOnly && !disabled) {\n return (\n \n );\n }\n }\n\n listLinkItem(link) {\n return (\n \n
| \n {link} \n {this.removeLinkButton(link)}\n | \n
\n \n {this.renderHyperLinkInput()}\n {this.renderHyperLinkList()}\n
\n );\n }\n}\n\nHyperLinksSection.propTypes = {\n data: PropTypes.arrayOf(PropTypes.string).isRequired,\n onAddLink: PropTypes.func.isRequired,\n onRemoveLink: PropTypes.func.isRequired,\n disabled: PropTypes.bool\n};\n","import React, { Component } from 'react';\nimport { Row, Col, FormGroup, FormControl, ControlLabel, Table, ListGroup, ListGroupItem, Button, Overlay } from 'react-bootstrap';\nimport Dropzone from 'react-dropzone';\nimport debounce from 'es6-promise-debounce';\nimport { findIndex, cloneDeep } from 'lodash';\n\nimport Utils from './utils/Functions';\nimport Attachment from './models/Attachment';\nimport AttachmentFetcher from './fetchers/AttachmentFetcher';\nimport UserStore from './stores/UserStore';\nimport GenericDS from './models/GenericDS';\nimport GenericDSDetails from './generic/GenericDSDetails';\nimport { absOlsTermId } from '../admin/generic/Utils';\nimport InboxActions from './actions/InboxActions';\nimport InstrumentsFetcher from './fetchers/InstrumentsFetcher';\nimport ChildOverlay from './managing_actions/ChildOverlay';\n\nimport HyperLinksSection from './common/HyperLinksSection';\n\nexport default class ContainerDataset extends Component {\n constructor(props) {\n super();\n let dataset_container = Object.assign({}, props.dataset_container);\n this.state = {\n dataset_container: dataset_container,\n instruments: null,\n valueBeforeFocus: null,\n timeoutReference: null,\n link: null\n };\n\n this.timeout = 6e2; // 600ms timeout for input typing\n this.doneInstrumentTyping = this.doneInstrumentTyping.bind(this);\n this.handleInputChange = this.handleInputChange.bind(this);\n this.handleAddLink = this.handleAddLink.bind(this);\n this.handleRemoveLink = this.handleRemoveLink.bind(this);\n }\n\n componentDidMount() {\n this.createAttachmentPreviews(this.state.dataset_container);\n }\n\n createAttachmentPreviews(dataset_container) {\n const { attachments } = dataset_container;\n let updatedAttachments = attachments.map((attachment) => {\n return attachment.thumb ? AttachmentFetcher.fetchThumbnail({ id: attachment.id }).then((result) => {\n if (result != null) {\n attachment.preview = `data:image/png;base64,${result}`;\n }\n return attachment;\n }) : attachment;\n });\n\n Promise.all(updatedAttachments).then((attachments) => {\n dataset_container.attachments = attachments;\n\n this.setState({\n dataset_container: dataset_container\n });\n });\n }\n\n handleInputChange(type, event) {\n const { dataset_container } = this.state;\n const { value } = event.target;\n switch (type) {\n case 'name':\n dataset_container.name = value;\n break;\n case 'instrument':\n dataset_container.extended_metadata['instrument'] = value;\n break;\n case 'description':\n dataset_container.description = value;\n break;\n case 'dataset':\n dataset_container.dataset = value;\n break;\n }\n this.setState({ dataset_container });\n }\n\n handleFileDrop(files) {\n const { dataset_container } = this.state;\n let attachments = files.map(f => Attachment.fromFile(f))\n let first_attach = dataset_container.attachments.length == 0\n dataset_container.attachments = dataset_container.attachments.concat(attachments)\n if (first_attach) {\n let attachment_list = dataset_container.attachments;\n let attach_name = attachment_list[attachment_list.length - 1].filename;\n let splitted = attach_name.split('.');\n if (splitted.length > 1) {\n splitted.splice(-1, 1);\n attach_name = splitted.join('.');\n }\n dataset_container.name = attach_name;\n }\n this.setState({ dataset_container });\n }\n\n handleAttachmentDownload(attachment) {\n Utils.downloadFile({ contents: `/api/v1/attachments/${attachment.id}`, name: attachment.filename });\n }\n\n handleAttachmentRemove(attachment) {\n const { dataset_container } = this.state;\n const index = dataset_container.attachments.indexOf(attachment);\n dataset_container.attachments[index].is_deleted = true;\n this.setState({ dataset_container });\n }\n\n handleAttachmentBackToInbox(attachment) {\n const { onChange } = this.props;\n const { dataset_container } = this.state;\n const index = dataset_container.attachments.indexOf(attachment);\n if (index != -1) {\n InboxActions.backToInbox(attachment);\n dataset_container.attachments.splice(index, 1);\n onChange(dataset_container);\n }\n }\n\n handleUndo(attachment) {\n const { dataset_container } = this.state;\n const index = dataset_container.attachments.indexOf(attachment);\n\n dataset_container.attachments[index].is_deleted = false;\n this.setState({ dataset_container });\n }\n\n handleSave() {\n const { dataset_container } = this.state;\n const { onChange, onModalHide } = this.props;\n onChange(dataset_container);\n onModalHide();\n }\n\n listGroupItem(attachment) {\n const { disabled } = this.props;\n const preview = (attachment.preview ? (| \n \n \n | \n
| \n this.handleAttachmentDownload(attachment)} style={{ cursor: 'pointer' }}>{attachment.filename} \n {this.removeAttachmentButton(attachment)} \n {this.attachmentBackToInboxButton(attachment)}\n | \n
\n \n {\n dataset_container.attachments.map((attachment) => {\n return (\n \n {this.listGroupItem(attachment)}\n \n );\n })\n }\n \n
\n );\n }\n return (\n \n There are currently no Datasets.
\n
\n );\n }\n\n removeAttachmentButton(attachment) {\n const { readOnly, disabled } = this.props;\n if (!readOnly && !disabled) {\n return (\n \n );\n }\n }\n\n attachmentBackToInboxButton(attachment) {\n const { readOnly } = this.props;\n if (!readOnly && !attachment.is_new) {\n return (\n \n );\n }\n }\n\n dropzone() {\n const { readOnly, disabled } = this.props;\n if (!readOnly && !disabled) {\n return (\n \n
\n Drop Files, or Click to Select.\n
\n \n );\n }\n }\n\n\n resetInstrumentComponent() {\n const { dataset_container } = this.state;\n this.setState({\n value: '',\n showInstruments: false,\n instruments: null,\n valueBeforeFocus: null,\n error: ''\n });\n dataset_container.extended_metadata['instrument'] = '';\n }\n\n doneInstrumentTyping() {\n const { value } = this.state;\n if (!value) {\n this.resetInstrumentComponent();\n } else {\n this.fetchInstruments(value);\n }\n }\n\n fetchInstruments(value, show = true) {\n const debounced = debounce(function (query) {\n return InstrumentsFetcher.fetchInstrumentsForCurrentUser(query)\n }, 200);\n debounced(value).then((result) => {\n const newState = {};\n if (result.length > 0) {\n newState.instruments = result;\n newState.showInstruments = show;\n } else {\n newState.instruments = null;\n newState.error = '';\n newState.showInstruments = false;\n }\n this.setState(newState);\n }).catch(error => console.log(error));\n }\n\n handleInstrumentValueChange(event, doneInstrumentTyping) {\n const { value } = event.target;\n const { timeoutReference } = this.state;\n if (!value) {\n this.resetInstrumentComponent();\n return;\n }\n if (timeoutReference) {\n clearTimeout(timeoutReference);\n }\n this.setState({\n value,\n timeoutReference: setTimeout(function () {\n doneInstrumentTyping()\n }, this.timeout)\n });\n this.handleInputChange('instrument', event);\n }\n\n selectInstrument() {\n const { dataset_container, timeoutReference, value } = this.state;\n\n this.setState({\n showInstruments: false,\n valueBeforeFocus: null\n })\n\n if (!value || value.trim() === '') {\n this.setState({ value: '' });\n return 0;\n }\n dataset_container.extended_metadata.instrument = value;\n clearTimeout(timeoutReference);\n return value;\n }\n\n focusInstrument(newFocus) {\n const { instruments, valueBeforeFocus } = this.state;\n const newState = {}\n if (!valueBeforeFocus) {\n newState.valueBeforeFocus = instruments[newFocus].name;\n }\n newState.value = instruments[newFocus].name;\n this.setState(newState);\n }\n\n abortAutoSelection() {\n const { valueBeforeFocus } = this.state;\n this.setState({\n value: valueBeforeFocus,\n valueBeforeFocus: null,\n })\n }\n\n renderInstruments() {\n const { instruments, error } = this.state;\n\n if (instruments) {\n return (\n \n {instruments.map((instrument, index) => {\n return (\n this.selectInstrument()}\n onMouseEnter={() => this.focusInstrument(index)}\n key={'instrument_' + index}\n ref={'instrument_' + index}\n header={instrument.name}\n />\n )\n })}\n
\n );\n } else if (error) {\n return \n {dataset_container.dataset && dataset_container.dataset.klass_ols !== absOlsTermId(kind) ? \n \n {this.removeButton(dataset_container)}\n \n {isOver && canDrop && this.renderOverlay('green')}\n
\n )\n }\n }\n}\n\nexport default DropTarget([DragDropItemTypes.DATA, DragDropItemTypes.UNLINKED_DATA, DragDropItemTypes.DATASET], dataTarget, collectTarget)(ContainerDatasetField);\n\nContainerDatasetField.propTypes = {\n isOver: PropTypes.bool.isRequired,\n canDrop: PropTypes.bool.isRequired,\n};\n","import React, { Component } from 'react';\nimport PropTypes from 'prop-types';\nimport { DropTarget } from 'react-dnd';\nimport DragDropItemTypes from './DragDropItemTypes';\nimport InboxActions from './actions/InboxActions';\n\nconst dataTarget = {\n canDrop(props, monitor) {\n const itemType = monitor.getItemType();\n if(itemType == DragDropItemTypes.DATA ||\n itemType == DragDropItemTypes.UNLINKED_DATA ||\n itemType == DragDropItemTypes.DATASET){\n return true;\n }\n },\n\n drop(props, monitor) {\n const item = monitor.getItem();\n const itemType = monitor.getItemType();\n const {dataset_container, handleAddWithAttachments} = props;\n\n switch (itemType) {\n case DragDropItemTypes.DATA:\n handleAddWithAttachments([item.attachment])\n InboxActions.removeAttachmentFromList(item.attachment)\n break;\n case DragDropItemTypes.UNLINKED_DATA:\n handleAddWithAttachments([item.attachment])\n InboxActions.removeUnlinkedAttachmentFromList(item.attachment)\n break;\n case DragDropItemTypes.DATASET:\n handleAddWithAttachments(item.dataset.attachments)\n InboxActions.removeDatasetFromList(item.dataset)\n break;\n }\n }\n};\n\nconst collectTarget = (connect, monitor) => ({\n connectDropTarget: connect.dropTarget(),\n isOver: monitor.isOver(),\n canDrop: monitor.canDrop()\n});\n\nclass AttachmentDropzone extends Component{\n constructor(props) {\n super(props);\n }\n\n renderOverlay(color) {\n return (\n \n );\n }\n\n render(){\n const {connectDropTarget, isOver, canDrop} = this.props;\n\n return connectDropTarget(\n \n \n Drop File(s) from the inbox\n {isOver && canDrop && this.renderOverlay('green')}\n \n
\n );\n }\n}\n\n\nexport default DropTarget([DragDropItemTypes.DATA, DragDropItemTypes.UNLINKED_DATA, DragDropItemTypes.DATASET], dataTarget, collectTarget)(AttachmentDropzone);\n\nAttachmentDropzone.propTypes = {\n isOver: PropTypes.bool.isRequired,\n canDrop: PropTypes.bool.isRequired,\n};\n","import React, { Component } from 'react';\n// import PropTypes from 'prop-types';\nimport { ListGroup, ListGroupItem, Button, Well } from 'react-bootstrap';\nimport ContainerDatasetModal from './ContainerDatasetModal';\nimport ContainerDatasetField from './ContainerDatasetField';\nimport Container from './models/Container';\nimport AttachmentDropzone from './AttachmentDropzone';\n\nexport default class ContainerDatasets extends Component {\n constructor(props) {\n super(props);\n const { container } = props;\n this.state = {\n container,\n modal: {\n show: false,\n dataset_container: null\n }\n };\n }\n\n UNSAFE_componentWillReceiveProps(nextProps) {\n this.setState({\n container: nextProps.container\n })\n }\n\n handleModalOpen(dataset_container) {\n const {modal} = this.state;\n modal.dataset_container = dataset_container;\n modal.show = true;\n this.setState({modal});\n }\n\n handleAdd(){\n const {container} = this.state;\n let dataset_container = Container.buildEmpty();\n dataset_container.container_type = \"dataset\";\n\n container.children.push(dataset_container);\n\n this.handleModalOpen(dataset_container);\n this.props.onChange(container);\n\n }\n\n handleAddWithAttachments(attachments){\n const {container} = this.state;\n let dataset_container = Container.buildEmpty();\n dataset_container.container_type = \"dataset\";\n\n attachments.forEach(attachment => {\n dataset_container.attachments.push(attachment)\n })\n container.children.push(dataset_container);\n\n this.handleModalOpen(dataset_container);\n this.props.onChange(container);\n\n }\n\n handleRemove(dataset_container) {\n let {container} = this.state;\n\n dataset_container.is_deleted = true;\n this.props.onChange(container);\n }\n\n handleUndo(dataset_container) {\n let {container} = this.state;\n\n dataset_container.is_deleted = false;\n this.props.onChange(container);\n }\n\n handleChange(dataset_container){\n let {container} = this.state;\n\n container.children.find(dataset => {\n if(dataset.id == dataset_container.id) {\n const datasetId = container.children.indexOf(dataset);\n container.children[datasetId] = dataset_container;\n }\n });\n\n this.props.onChange(container);\n }\n\n handleModalHide() {\n const {modal} = this.state;\n modal.show = false;\n modal.dataset_container = null;\n this.setState({modal});\n // https://github.com/react-bootstrap/react-bootstrap/issues/1137\n document.body.className = document.body.className.replace('modal-open', '');\n }\n\n addButton() {\n const {readOnly, disabled} = this.props;\n\n if(!readOnly && !disabled) {\n return (\n \n \n
\n )\n }\n }\n\n\n\n render() {\n const {container, modal} = this.state;\n const {disabled} = this.props;\n\n if(container.children.length > 0) {\n const kind = container.extended_metadata && container.extended_metadata.kind;\n return (\n \n \n \n {container.children.map((dataset_container, key) => {\n return (\n \n this.handleChange(dataset_container)}\n handleRemove={() => this.handleRemove(dataset_container)}\n handleUndo={() => this.handleUndo(dataset_container)}\n handleModalOpen={() => this.handleModalOpen(dataset_container)}\n disabled={disabled}\n />\n \n )\n })}\n \n this.handleAddWithAttachments(attachments)}\n />\n \n \n {this.addButton()}\n \n this.handleModalHide()}\n onChange={dataset_container => this.handleChange(dataset_container)}\n kind={kind}\n show={modal.show}\n readOnly={this.props.readOnly}\n dataset_container={modal.dataset_container}\n analysisContainer={modal.analysisContainer}\n disabled={disabled}\n />\n
\n );\n } else {\n return (\n \n \n \n \n this.handleAddWithAttachments(attachments)}\n />\n \n \n {this.addButton()}\n \n
\n )\n }\n }\n}\n","import _ from 'lodash';\n\nconst contentToText = (content) => {\n if (typeof (content) === 'undefined' || !content ||\n typeof (content.ops) === 'undefined' || !content.ops) {\n return '';\n }\n return (content.ops || []).reduce((txt, operation) => {\n if (typeof operation.insert !== 'string') { return txt + ' ' };\n return txt + operation.insert;\n }, '');\n};\n\nconst keepSupSub = (value) => {\n const content = [];\n value.ops.forEach((op) => {\n if (typeof op.insert === 'string' && op.insert !== '\\n') {\n if (op.attributes\n && op.attributes.script\n && (op.attributes.script === 'super'\n || op.attributes.script === 'sub')) {\n content.push({\n insert: op.insert,\n attributes: { script: op.attributes.script }\n });\n } else {\n content.push({ insert: op.insert });\n }\n }\n });\n content.filter(op => op).push({ insert: '\\n' });\n // NB: what is this for?\n // if (content.length === 1) {\n // content.unshift({ insert: '-' });\n // }\n return content;\n};\n\nconst rmRedundantSpaceBreak = (target) => {\n return target.replace(/\\n/g, '').replace(/\\s\\s+/g, ' ');\n};\n\nconst rmOpsRedundantSpaceBreak = (ops) => {\n const clearOps = ops.map((op) => {\n op.insert = rmRedundantSpaceBreak(op.insert);\n return op;\n });\n return clearOps;\n};\n\nconst rmDeltaRedundantSpaceBreak = (delta) => {\n const clearOps = rmOpsRedundantSpaceBreak(delta.ops);\n return { ops: clearOps };\n};\n\nconst frontBreak = (content) => {\n const res = [{ insert: '\\n' }, ...content];\n return res;\n};\n\nconst mapValueToGroupRegex = (content, matchedGroup) => {\n let newContent = _.cloneDeep(content);\n matchedGroup.forEach((m, idx) => {\n newContent = newContent.map((d) => {\n const patt = `#{${idx + 1}}`;\n const insertString = d.insert;\n const dd = { ...d };\n dd.insert = insertString.replace(patt, m || '');\n return dd;\n });\n });\n\n return newContent;\n};\n\nexport {\n contentToText,\n keepSupSub,\n rmDeltaRedundantSpaceBreak,\n rmOpsRedundantSpaceBreak,\n rmRedundantSpaceBreak,\n frontBreak,\n};\n","import React from 'react';\nimport PropTypes from 'prop-types';\nimport Quill from 'quill';\nimport _ from 'lodash';\n\nimport { keepSupSub } from './utils/quillFormat';\n\nexport default class QuillViewer extends React.Component {\n constructor(props) {\n super(props);\n\n this.viewer = false;\n }\n\n componentDidMount() {\n this.initQuill();\n }\n\n // eslint-disable-next-line camelcase\n UNSAFE_componentWillReceiveProps(nextProps) {\n const oldVal = this.props.value;\n const newVal = nextProps.value;\n if (oldVal && newVal && !_.isEqual(newVal, oldVal)) {\n this.viewer.setContents(newVal);\n }\n }\n\n initQuill() {\n if (!this.viewer) {\n const { quillViewer } = this;\n const defaultOptions = {\n theme: this.theme,\n readOnly: this.readOnly,\n };\n\n this.viewer = new Quill(quillViewer, defaultOptions);\n const oriValue = this.props.value;\n const value = this.props.preview ? keepSupSub(oriValue) : oriValue;\n this.viewer.setContents(value);\n }\n }\n\n render() {\n this.theme = 'bubble';\n this.readOnly = true;\n\n return (\n this.props.preview\n ? There are currently no Datasets.
\n { this.quillViewer = m; }} />
\n : { this.quillViewer = n; }} />\n );\n }\n}\n\nQuillViewer.propTypes = {\n value: PropTypes.oneOfType([\n PropTypes.object,\n PropTypes.array\n ]),\n preview: PropTypes.bool\n};\n\nQuillViewer.defaultProps = {\n value: [],\n preview: false\n};\n","export const solventOptions = [{\n label: 'Acetic acid',\n value: 'Acetic acid'\n }, {\n label: 'Acetone',\n value: 'Acetone'\n }, {\n label: 'Acetonitrile',\n value: 'Acetonitrile'\n }, {\n label: 'Benzene',\n value: 'Benzene'\n }, {\n label: 'Butanol',\n value: 'Butanol'\n }, {\n label: 'Carbon tetrachloride (CCl4)',\n value: 'Carbon tetrachloride'\n }, {\n label: 'Chloroform',\n value: 'Chloroform'\n }, {\n label: 'Cyclohexane',\n value: 'Cyclohexane'\n }, {\n label: 'Diethyl ether',\n value: 'Diethyl ether'\n }, {\n label: 'Dimethyl sulfoxide (DMSO)',\n value: 'Dimethyl sulfoxide'\n }, {\n label: 'Dimethylformamide (DMF)',\n value: 'Dimethylformamide'\n }, {\n label: '1,4-Dioxane',\n value: '1,4-Dioxane'\n }, {\n label: 'Ethanol',\n value: 'Ethanol'\n }, {\n label: 'Ethyl acetate',\n value: 'Ethyl acetate'\n }, {\n label: 'Isopropanol',\n value: 'Isopropanol'\n }, {\n label: 'Methanol',\n value: 'Methanol'\n }, {\n label: 'Methylene chloride (DCM)',\n value: 'Methylene chloride'\n }, {\n label: 'Methyl tert-butyl ether (MTBE)',\n value: 'Methyl tert-butyl ether'\n }, {\n label: 'n-Hexane',\n value: 'n-Hexane'\n }, {\n label: 'N-Methyl-2-pyrrolidone (NMP)',\n value: 'N-Methyl-2-pyrrolidone'\n }, {\n label: 'Pentane',\n value: 'Pentane'\n }, {\n label: 'Pyridine',\n value: 'Pyridine'\n }, {\n label: 'Tetrahydrofuran (THF)',\n value: 'Tetrahydrofuran'\n }, {\n label: 'Toluene',\n value: 'Toluene'\n }, {\n label: 'Water',\n value: 'Water'\n }, {\n label: 'CDCl3',\n value: 'CDCl3'\n }, {\n label: 'MeOD-d4',\n value: 'MeOD-d4'\n }, {\n label: 'C6D6',\n value: 'C6D6'\n }, {\n label: 'D2O',\n value: 'D2O'\n }];\n\n\nexport const defaultMultiSolventsSmilesOptions = [{\n label: 'Acetic acid',\n value: { external_label: 'Acetic acid',\n smiles: 'CC(O)=O',\n density: 1.05 }\n }, {\n label: 'Acetone',\n value: { external_label: 'Acetone',\n smiles: 'CC(C)=O',\n density: 0.79 }\n }, {\n label: 'Acetonitrile',\n value: { external_label: 'Acetonitrile',\n smiles: 'CC#N',\n density: 0.78 }\n }, {\n label: 'Argon',\n value: { external_label: 'Ar',\n smiles: '[Ar]',\n density: 0.001633 }\n }, {\n label: 'Benzene',\n value: { external_label: 'Benzene',\n smiles: 'C1=CC=CC=C1',\n density: 0.88 }\n }, {\n label: 'n-Butanol',\n value: { external_label: 'n-Butanol',\n smiles: 'CCCCO',\n density: 0.81 }\n }, {\n label: 'Carbon tetrachloride (CCl4)',\n value: { external_label: 'CCl4',\n smiles: 'ClC(Cl)(Cl)Cl',\n density: 1.594 }\n }, {\n label: 'Chloroform',\n value: { external_label: 'Chloroform',\n smiles: 'ClC(Cl)Cl',\n density: 1.48 }\n }, {\n label: 'Cyclohexane',\n value: { external_label: 'Cyclohexane',\n smiles: 'C1CCCCC1',\n density: 0.78 }\n }, {\n label: 'Diethyl ether',\n value: { external_label: 'Diethyl ether',\n smiles: 'CCOCC',\n density: 0.71 }\n }, {\n label: 'Dimethyl sulfoxide (DMSO)',\n value: { external_label: 'DMSO',\n smiles: 'CS(C)=O',\n density: 1.10 }\n }, {\n label: 'Dimethylformamide (DMF)',\n value: { external_label: 'DMF',\n smiles: 'CN(C)C=O',\n density: 0.95 }\n }, {\n label: '1,4-Dioxane',\n value: { external_label: '1,4-Dioxane',\n smiles: 'C1COCCO1',\n density: 1.03 }\n }, {\n label: 'Ethanol',\n value: { external_label: 'Ethanol',\n smiles: 'OCC',\n density: 0.789 }\n }, {\n label: 'Ethyl acetate',\n value: { external_label: 'Ethyl acetate',\n smiles: 'CC(OCC)=O',\n density: 0.894 }\n }, {\n label: 'Isopropanol',\n value: { external_label: 'Isopropanol',\n smiles: 'CC(O)C',\n density: 0.78 }\n }, {\n label: 'Methanol',\n value: { external_label: 'Methanol',\n smiles: 'CO',\n density: 0.79 }\n }, {\n label: 'Methylene chloride (DCM)',\n value: { external_label: 'DCM',\n smiles: 'ClCCl',\n density: 1.33 }\n }, {\n label: 'Methyl tert-butyl ether (MTBE)',\n value: { external_label: 'MTBE',\n smiles: 'O(C(C)(C)C)C',\n density: 0.74 }\n }, {\n label: 'N2',\n value: { external_label: 'N2',\n smiles: 'N#N',\n density: 0.00125 }\n }, {\n label: 'n-Hexane',\n value: { external_label: 'n-Hexane',\n smiles: 'CCCCCC',\n density: 0.66 }\n }, {\n label: 'N-Methyl-2-pyrrolidone (NMP)',\n value: { external_label: 'NMP',\n smiles: 'O=C1CCCN1C',\n density: 1.03 }\n }, {\n label: 'Pentane',\n value: { external_label: 'Pentane',\n smiles: 'CCCCC',\n density: 0.63 }\n }, {\n label: 'Pyridine',\n value: { external_label: 'Pyridine',\n smiles: 'C1=CC=NC=C1',\n density: 0.98 }\n }, {\n label: 'Tetrahydrofuran (THF)',\n value: { external_label: 'THF',\n smiles: 'C1CCCO1',\n density: 0.889 }\n }, {\n label: 'Toluene',\n value: { external_label: 'Toluene',\n smiles: 'CC1=CC=CC=C1',\n density: 0.87 }\n }, {\n label: 'Water',\n value: { external_label: 'Water',\n smiles: '[H]O[H]',\n density: 1.00 }\n }, {\n label: 'CDCl3',\n value: { external_label: 'CDCl3',\n smiles: '[2H]C(Cl)(Cl)Cl',\n density: 1.500 }\n }, {\n label: 'MeOD-d4',\n value: { external_label: 'MeOD-d4',\n smiles: '[2H]OC([2H])([2H])[2H]',\n density: 0.888 }\n }, {\n label: 'C6D6',\n value: { external_label: 'C6D6',\n smiles: '[2H]c1c([2H])c([2H])c([2H])c([2H])c1[2H]',\n density: 0.950 }\n }, {\n label: 'D2O',\n value: { external_label: 'D2O',\n smiles: '[2H]O[2H]',\n density: 1.107 }\n }, {\n label: 'Cyclopentane',\n value: { external_label: 'Cyclopentane',\n smiles: 'C1CCCC1',\n density: 0.74 }\n }, {\n label: 'Nitromethane',\n value: { external_label: 'Nitromethane',\n smiles: 'C[N+]([O-])=O',\n density: 1.14 }\n }, {\n label: 'Formic acid',\n value: { external_label: 'Formic acid',\n smiles: 'O=CO',\n density: 1.22 }\n }, {\n label: 'n-octanol',\n value: { external_label: 'n-octanol',\n smiles: 'CCCCCCCCO',\n density: 0.817 }\n }, {\n label: 'n-propanol',\n value: { external_label: 'n-propanol',\n smiles: 'CCCO\t',\n density: 0.8 }\n }, {\n label: 'Dimethylacetamide',\n value: { external_label: 'Dimethylacetamide',\n smiles: 'CC(N(C)C)=O',\n density: 0.94 }\n }, {\n label: '1,2-xylene',\n value: { external_label: '1,2-xylene',\n smiles: 'CC1=CC=CC=C1C',\n density: 0.8755 }\n }, {\n label: '1,3-xylene',\n value: { external_label: '1,3-xylene',\n smiles: 'CC1=CC=CC(C)=C1',\n density: 0.8598 }\n }, {\n label: '1,4-xylene',\n value: { external_label: '1,4-xylene',\n smiles: 'CC1=CC=C(C)C=C1',\n density: 0.8565 }\n }, {\n label: 'Sulfolane',\n value: { external_label: 'Sulfolane',\n smiles: 'O=S1(CCCC1)=O',\n density: 1.261 }\n }, {\n label: '2-methoxy ethanol',\n value: { external_label: '2-methoxy ethanol',\n smiles: 'OCCOC',\n density: 0.97 }\n }, {\n label: 'Carbon tribromide',\n value: { external_label: 'Carbon tribromide',\n smiles: 'BrC(Br)([H])Br',\n density: 2.89 }\n }, {\n label: 'Cyclopentylmethylether',\n value: { external_label: 'Cyclopentylmethylether',\n smiles: 'COC1CCCC1',\n density: 0.86 }\n }, {\n label: '1,2-Dichloroethane',\n value: { external_label: '1,2-Dichloroethane',\n smiles: 'ClCCCl',\n density: 1.25 }\n }\n];\n\n\nexport const purificationOptions = [{\n label: 'Flash-Chromatography',\n value: 'Flash-Chromatography'\n}, {\n label: 'TLC',\n value: 'TLC'\n}, {\n label: 'HPLC',\n value: 'HPLC'\n}, {\n label: 'Extraction',\n value: 'Extraction'\n}, {\n label: 'Distillation',\n value: 'Distillation'\n}, {\n label: 'Sublimation',\n value: 'Sublimation'\n}, {\n label: 'Crystallisation',\n value: 'Crystallisation'\n}, {\n label: 'Recrystallisation',\n value: 'Recrystallisation'\n}, {\n label: 'Dialysis',\n value: 'Dialysis'\n}];\n\nexport const statusOptions = [{\n label: 'Planned',\n value: 'Planned',\n}, {\n label: 'Running',\n value: 'Running',\n}, {\n label: 'Done',\n value: 'Done',\n}, {\n label: 'Analyses Pending',\n value: 'Analyses Pending',\n}, {\n label: 'Successful',\n value: 'Successful',\n}, {\n label: 'Not Successful',\n value: 'Not Successful',\n}];\n\n\nexport const dangerousProductsOptions = [{\n label: 'Causes cancer',\n value: 'Causes cancer'\n}, {\n label: 'Mutagenic',\n value: 'Mutagenic'\n}, {\n label: 'Damage to environment',\n value: 'Damage to environment'\n}, {\n label: 'Explosive (Class 1)',\n value: 'Explosive (Class 1)'\n}, {\n label: 'Pressure (Class 2)',\n value: 'Pressure (Class 2)'\n}, {\n label: 'Flammable liquid (Class 3)',\n value: 'Flammable liquid (Class 3)'\n}, {\n label: 'Flammable solid (Class 4.1)',\n value: 'Flammable solid (Class 4.1)'\n}, {\n label: 'Self-flammable solid (Class 4.2)',\n value: 'Self-flammable solid (Class 4.2)'\n}, {\n label: 'Flammable/contact with water (Class 4.3)',\n value: 'Flammable/contact with water (Class 4.3)'\n}, {\n label: 'Oxidizing (Class 5.1)',\n value: 'Oxidizing (Class 5.1)'\n}, {\n label: 'Peroxides (Class 5.2)',\n value: 'Peroxides (Class 5.2)'\n}, {\n label: 'Toxic and very toxic (Class 6.1)',\n value: 'Toxic and very toxic (Class 6.1)'\n}, {\n label: 'Infective (Class 6.2)',\n value: 'Infective (Class 6.2)'\n}, {\n label: 'Radioactive (Class 7)',\n value: 'Radioactive (Class 7)'\n}, {\n label: 'Corrosive (Class 8)',\n value: 'Corrosive (Class 8)'\n}, {\n label: 'Diverse (Class 9)',\n value: 'Diverse (Class 9)'\n}];\n\n\n\nexport const confirmOptions = [{\n label: \"Confirmed\",\n value: \"Confirmed\"\n},{\n label: \"Unconfirmed\",\n value: \"Unconfirmed\"\n}];\n\nexport const kindOptions = [{\n label: \"1H NMR\",\n value: \"1H NMR\"\n},{\n label: \"13C NMR\",\n value: \"13C NMR\"\n},{\n label: \"Mass\",\n value: \"Mass\"\n},{\n label: \"IR\",\n value: \"IR\"\n},{\n label: \"EA\",\n value: \"EA\"\n},{\n label: \"GCMS\",\n value: \"GCMS\"\n},{\n label: \"HPLC\",\n value: \"HPLC\"\n},{\n label: \"TLC\",\n value: \"TLC\"\n},{\n label: \"Crystal-Structure\",\n value: \"Crystal-Structure\"\n},{\n label: \"Others\",\n value: \"Others\"\n}];\n\nexport const rolesOptions = [{\n label: 'General Procedure',\n value: 'gp',\n icon: 'fa-home',\n bsStyle: 'c-bs-primary',\n}, {\n label: 'Parts of GP',\n value: 'parts',\n icon: 'fa-bookmark',\n bsStyle: 'c-bs-success',\n}, {\n label: 'Single',\n value: 'single',\n icon: 'fa-asterisk',\n bsStyle: 'c-bs-danger',\n}];\n\nexport const conditionsOptions = [{\n label: 'UV',\n value: 'UV'\n}, {\n label: 'microwave',\n value: 'microwave'\n}, {\n label: 'ultrasound',\n value: 'ultrasound'\n}, {\n label: 'visible light',\n value: 'visible light'\n}, {\n label: 'pH = value',\n value: 'pH = value'\n}, {\n label: 'pH < value',\n value: 'pH < value' /* < renders < in HTML*/\n}, {\n label: 'pH > value',\n value: 'pH > value' /* > renders > in HTML*/\n}];","import React from 'react';\nimport PropTypes from 'prop-types';\n\nimport ReactQuill from './ReactQuill';\n\nclass DynamicToolbarEditor extends React.Component {\n constructor(props) {\n super(props);\n\n\n this.toolbarId = `_${Math.random().toString(36).substr(2, 9)}`;\n this.modules = {\n toolbar: { container: `#${this.toolbarId}` },\n };\n }\n\n render() {\n const { innerRef, children, ...otherProps } = this.props;\n\n return (\n \n
\n );\n }\n}\n\nDynamicToolbarEditor.propTypes = {\n children: PropTypes.node.isRequired,\n};\n\nexport default React.forwardRef((props, ref) => (\n \n {children}\n
\n \n
\n
\n
\n );\n }\n}\n\nToolbarTemplateCreator.propTypes = {\n /* eslint-disable react/forbid-prop-types */\n template: PropTypes.object,\n templateOptions: PropTypes.arrayOf(PropTypes.string),\n /* eslint-enable react/forbid-prop-types */\n updateTextTemplates: PropTypes.func\n};\n\nToolbarTemplateCreator.defaultProps = {\n template: {},\n templateOptions: [],\n updateTextTemplates: null\n};\n","import React from 'react';\nimport PropTypes from 'prop-types';\n\nimport { OverlayTrigger, Popover } from 'react-bootstrap';\n\nimport Delta from 'quill-delta';\n\nimport { formatAnalysisContent } from './utils/ElementUtils';\n\nimport TextTemplateStore from './stores/TextTemplateStore';\nimport TextTemplateActions from './actions/TextTemplateActions';\n\nimport DynamicToolbarEditor from './react_quill/DynamicToolbarEditor';\nimport ToolbarIcon from './react_quill/ToolbarIcon';\nimport BaseToolbar from './react_quill/BaseToolbar';\n\nimport TextTemplateToolbar from './text_template_toolbar/TextTemplateToolbar';\nimport ToolbarTemplateCreator from './text_template_toolbar/ToolbarTemplateCreator';\n\nconst toolbarOptions = [\n 'bold', 'italic', 'underline',\n 'header', 'script',\n 'list', 'bullet',\n];\n\nexport default class AnalysisEditor extends React.Component {\n constructor(props) {\n super(props);\n\n this.reactQuillRef = React.createRef();\n\n const templateStore = TextTemplateStore.getState();\n const { predefinedTemplateNames, fetchedPredefinedTemplates } = templateStore;\n const fetchedTemplates = fetchedPredefinedTemplates && fetchedPredefinedTemplates.toJS();\n this.state = {\n fetchedNames: Object.keys(fetchedTemplates),\n predefinedTemplateNames: predefinedTemplateNames && predefinedTemplateNames.toJS(),\n fetchedPredefinedTemplates,\n updateTemplate: false\n };\n\n this.fetchPredefinedTemplates = this.fetchPredefinedTemplates.bind(this);\n\n this.onChangeTemplateStore = this.onChangeTemplateStore.bind(this);\n this.onChangeContent = this.onChangeContent.bind(this);\n this.autoFormatContent = this.autoFormatContent.bind(this);\n this.applyTemplate = this.applyTemplate.bind(this);\n this.updateTextTemplates = this.updateTextTemplates.bind(this);\n\n this.quillOnChange = this.quillOnChange.bind(this);\n }\n\n componentDidMount() {\n TextTemplateStore.listen(this.onChangeTemplateStore);\n TextTemplateActions.fetchPredefinedTemplateNames();\n\n const { template } = this.props;\n const namesToFetch = Object.values(template).flat();\n this.fetchPredefinedTemplates(namesToFetch);\n }\n\n componentDidUpdate(prevProps) {\n const { template } = this.props;\n const namesToFetch = Object.values(template).flat();\n\n if (!this.state.updateTemplate && Object.keys(template).length !== 0) {\n // this.fetchPredefinedTemplates(namesToFetch);\n TextTemplateActions.fetchPredefinedTemplateByNames(namesToFetch);\n\n // eslint-disable-next-line react/no-did-update-set-state\n this.setState({\n updateTemplate: true\n });\n } else if (this.props.template !== prevProps.template && this.state.updateTemplate) {\n const prevnamesToFetch = Object.values(prevProps.template).flat();\n\n if (prevnamesToFetch.length !== namesToFetch.length) {\n // this.fetchPredefinedTemplates(namesToFetch);\n TextTemplateActions.fetchPredefinedTemplateByNames(namesToFetch);\n }\n }\n }\n\n componentWillUnmount() {\n TextTemplateStore.unlisten(this.onChangeTemplateStore);\n }\n\n onChangeTemplateStore(state) {\n const { predefinedTemplateNames, fetchedPredefinedTemplates } = state;\n const { fetchedNames } = this.state;\n const fetchedTemplates = (fetchedPredefinedTemplates && fetchedPredefinedTemplates.toJS()) || Map();\n\n const templateStoreFetched = Object.keys(fetchedTemplates);\n const fetched = [...new Set(fetchedNames.concat(templateStoreFetched))];\n this.setState({\n fetchedNames: fetched,\n predefinedTemplateNames: predefinedTemplateNames && predefinedTemplateNames.toJS(),\n fetchedPredefinedTemplates: fetchedTemplates\n });\n }\n\n onChangeContent(quillEditor) {\n const { onChangeContent } = this.props;\n\n if (onChangeContent) {\n onChangeContent(quillEditor.getContents());\n }\n }\n\n fetchPredefinedTemplates(names) {\n if (!names || names.length === 0) return;\n\n const { fetchedNames } = this.state;\n const namesToFetch = names.filter(n => !fetchedNames.includes(n));\n if (namesToFetch.length === 0) return;\n\n const fetched = [...new Set(fetchedNames.concat(names))];\n this.setState({ fetchedNames: fetched }, () => {\n TextTemplateActions.fetchPredefinedTemplateByNames(namesToFetch);\n });\n }\n\n autoFormatContent() {\n if (this.reactQuillRef.current == null) {\n return;\n }\n\n const { analysis } = this.props;\n\n let value = analysis.extended_metadata.content || {};\n value = formatAnalysisContent(analysis);\n\n const quill = this.reactQuillRef.current.getEditor();\n quill.setContents(value);\n this.onChangeContent(quill);\n }\n\n quillOnChange(content, delta, source, editor) {\n if (this.reactQuillRef.current == null) {\n return;\n }\n\n this.onChangeContent(editor);\n }\n\n applyTemplate(macro) {\n const check = ('ops' in macro) && Array.isArray(macro.ops);\n if (!check) return;\n\n if (this.reactQuillRef.current == null) {\n return;\n }\n\n const quill = this.reactQuillRef.current.getEditor();\n const range = quill.getSelection();\n if (!range) return;\n\n let contents = quill.getContents();\n let elementOps = macro.ops;\n const insertDelta = new Delta(elementOps);\n if (range.index > 0) {\n elementOps = [{ retain: range.index }].concat(elementOps);\n }\n const macroDelta = new Delta(elementOps);\n contents = contents.compose(macroDelta);\n quill.setContents(contents);\n range.length = 0;\n range.index += insertDelta.length();\n quill.setSelection(range);\n\n this.onChangeContent(quill);\n }\n\n updateTextTemplates(template) {\n const { updateTextTemplates } = this.props;\n updateTextTemplates(template);\n }\n\n render() {\n const { predefinedTemplateNames, fetchedPredefinedTemplates } = this.state;\n\n const { template, analysis, readOnly } = this.props;\n const value = analysis.extended_metadata.content || {};\n\n const autoFormatIcon = ;\n const templateCreatorPopover = (\n \n \n Save\n \n \n \n New dropdown\n \n
\n \n
\n
\n {dropdownTemplateSelector}\n \n
\n \n \n Content \n {quill}\n \n \n Description \n \n \n
\n );\n }\n}\n\nContainerComponent.propTypes = {\n templateType: PropTypes.string,\n onChange: PropTypes.func,\n readOnly: PropTypes.bool,\n disabled: PropTypes.bool,\n container: PropTypes.object\n}\n","import React from 'react';\nimport PropTypes from 'prop-types';\nimport { Tooltip, OverlayTrigger, MenuItem, SplitButton, ButtonGroup } from 'react-bootstrap';\n\nimport Utils from '../utils/Functions';\n\nconst PrintCodeButton = ({\n element,\n analyses, allAnalyses, ident\n}) => {\n const { type, id } = element;\n let tooltipText = 'Print bar/qr-code Label';\n const ids = analyses.length > 0 ? analyses.map(e => e.id) : [];\n const contentsUri = analyses.length > 0\n ? `/api/v1/code_logs/print_analyses_codes?element_type=${type}&id=${id}&analyses_ids[]=${ids}`\n : `/api/v1/code_logs/print_codes?element_type=${type}&ids[]=${id}`;\n const menuItems = [\n {\n key: 'smallCode',\n contents: `${contentsUri}&size=small`,\n text: 'Small Label',\n },\n {\n key: 'bigCode',\n contents: `${contentsUri}&size=big`,\n text: 'Large Label',\n },\n ];\n\n if (analyses.length > 0) { tooltipText = 'Print bar/qr-code Labels for this analysis'; }\n if (allAnalyses && analyses.length > 0) { tooltipText = 'Print bar/qr-code Labels for all analyses'; }\n\n return (\n \n \n
\n \n \n Type (Chemical Methods Ontology) \n this.handleInputChange('kind', event)}\n selectedDisable={readOnly || disabled || false}\n />\n
\n \n \n \n \n {popObject.title} \n \n \n {this.state.isPdf ?\n 
}\n \n \n \n \n \n
\n );\n }\n}\n\nImageModal.propTypes = {\n imageStyle: PropTypes.object,\n hasPop: PropTypes.bool.isRequired,\n previewObject: PropTypes.shape({\n src: PropTypes.string,\n }).isRequired,\n popObject: PropTypes.shape({\n title: PropTypes.string,\n src: PropTypes.string,\n fetchNeeded: PropTypes.bool,\n fetchId: PropTypes.oneOfType([PropTypes.string, PropTypes.number]),\n }).isRequired,\n};\n","const acceptables = ['jdx', 'dx', 'jcamp', 'mzml', 'mzxml', 'raw', 'cdf', 'zip'];\n\nconst JcampIds = (container) => {\n let origJcampIds = [];\n let geneJcampIds = [];\n let editedJcampsIds = [];\n\n container.children.forEach((dt) => {\n dt.attachments.forEach((att) => {\n try {\n const fns = att.filename.split('.');\n const ext = fns[fns.length - 1];\n const isJcamp = acceptables.indexOf(ext.toLowerCase()) >= 0;\n const typ = fns.length > 1 ? fns[fns.length - 2] : false;\n const notOrig = typ === 'peak' || typ === 'edit';\n if (isJcamp) {\n if (notOrig) {\n geneJcampIds = [...geneJcampIds, att.id];\n editedJcampsIds = [...editedJcampsIds, att.id];\n } else {\n origJcampIds = [...origJcampIds, att.id];\n }\n }\n } catch (err) {\n // just ignore\n }\n });\n });\n return { orig: origJcampIds, gene: geneJcampIds, edited: editedJcampsIds };\n};\n\nconst extractJcampFiles = (container) => {\n let files = [];\n container.children.forEach((dt) => {\n dt.attachments.forEach((att) => {\n try {\n const fns = att.filename.split('.');\n const ext = fns[fns.length - 1];\n const isJcamp = acceptables.indexOf(ext.toLowerCase()) >= 0;\n const isApp = [\n 'idle', 'queueing', 'done',\n 'backup', 'image',\n 'failure', 'non_jcamp',\n ].indexOf(att.aasm_state) < 0;\n if (isJcamp && isApp) {\n const file = Object.assign({}, att, {\n idDt: dt.id,\n });\n files = [...files, file];\n }\n } catch (err) {\n // just ignore\n }\n });\n });\n return files;\n};\n\nconst extractAnalysesId = (sample, container) => {\n let idAe = null;\n sample && sample.analysesContainers().forEach((ae) => {\n ae.children.forEach((ai) => {\n if (container.id === ai.id) {\n idAe = ae.id;\n }\n });\n });\n return idAe;\n};\n\nconst BuildSpcInfos = (sample, container) => {\n if (!sample || !container) return [];\n const files = extractJcampFiles(container);\n if (files.length < 1) return [];\n const idAe = extractAnalysesId(sample, container);\n return files.map(file => (\n {\n value: null,\n label: file.filename,\n title: sample.short_label,\n idSp: sample.id,\n idAe,\n idAi: container.id,\n idDt: file.idDt,\n idx: file.id,\n }\n ));\n};\n\nexport { BuildSpcInfos, JcampIds }; // eslint-disable-line\n","import React from 'react';\nimport PropTypes from 'prop-types';\nimport {\n Button, Checkbox, OverlayTrigger, Tooltip,\n MenuItem, SplitButton, ButtonGroup\n} from 'react-bootstrap';\nimport QuillViewer from './QuillViewer';\nimport PrintCodeButton from './common/PrintCodeButton';\nimport { stopBubble } from './utils/DomHelper';\nimport ImageModal from './common/ImageModal';\nimport SpectraActions from './actions/SpectraActions';\nimport LoadingActions from './actions/LoadingActions';\nimport { BuildSpcInfos, JcampIds } from './utils/SpectraHelper';\nimport { hNmrCheckMsg, cNmrCheckMsg, msCheckMsg, instrumentText } from './utils/ElementUtils';\nimport { contentToText } from './utils/quillFormat';\nimport UIStore from './stores/UIStore';\nimport { chmoConversions } from './OlsComponent';\nimport { previewContainerImage } from './utils/imageHelper';\n\nconst qCheckPass = () => (\n \n 
\n
\n \n this.onDocumentLoadSuccess(pdf.numPages)}>\n \n
\n :\n \n this.previousPage()}\n >\n Previous\n \n = numOfPages}\n onClick={() => this.nextPage()}\n >\n Next\n \n
\n \n Page {pageIndex || (numOfPages ? 1 : '--')} of {numOfPages || '--'}\n
\n\n \n \n
\n);\n\nconst qCheckFail = (msg, kind, atomNum = '') => (\n \n \n ({atomNum}{kind} {msg})\n
\n);\n\nconst qCheckMsg = (sample, container) => {\n if (sample.molecule && container.extended_metadata &&\n ((typeof container.extended_metadata.kind === 'undefined' || container.extended_metadata.kind == null ||\n container.extended_metadata.kind.split('|').length < 2) ||\n (container.extended_metadata.kind.split('|')[0].trim() !== chmoConversions.nmr_1h.termId\n && container.extended_metadata.kind.split('|')[0].trim() !== chmoConversions.nmr_13c.termId\n && !container.extended_metadata.kind.split('|')[1].includes('mass spectrometry'))\n )) {\n return '';\n }\n const str = container.extended_metadata && contentToText(container.extended_metadata.content);\n\n if (container.extended_metadata.kind.split('|')[0].trim() === chmoConversions.nmr_1h.termId) {\n const msg = hNmrCheckMsg(sample.molecule_formula, str);\n return msg === '' ? qCheckPass() : qCheckFail(msg, 'H', '1');\n } else if (container.extended_metadata.kind.split('|')[0].trim() === chmoConversions.nmr_13c.termId) {\n const msg = cNmrCheckMsg(sample.molecule_formula, str);\n return msg === '' ? qCheckPass() : qCheckFail(msg, 'C', '13');\n } else if (container.extended_metadata.kind.split('|')[1].includes('mass spectrometry')) {\n const msg = msCheckMsg(sample.molecule.exact_molecular_weight, str);\n return msg === '' ? qCheckPass() : qCheckFail(msg, 'MS', '');\n }\n return '';\n};\n\nconst SpectraEditorBtn = ({\n sample, spcInfos, hasJcamp, hasChemSpectra,\n toggleSpectraModal, confirmRegenerate, confirmRegenerateEdited, hasEditedJcamp\n}) => (\n \n \n { container.name }\n { kind }\n { status }\n \n
\n );\n};\n\nconst headerBtnGroup = (\n container, sample, mode, handleRemove, handleSubmit,\n toggleAddToReport, isDisabled, readOnly,\n) => {\n if (mode !== 'edit') {\n return null;\n }\n\n const inReport = container.extended_metadata.report;\n const confirmDelete = (e) => {\n e.stopPropagation();\n if (confirm('Delete the analysis?')) {\n handleRemove(container);\n }\n };\n const onToggleAddToReport = (e) => {\n e.stopPropagation();\n toggleAddToReport(container);\n };\n\n // spcInfos = [ { value, label, title, idSp, idAe, idx, ... }, ...]\n const spcInfos = BuildSpcInfos(sample, container);\n const toggleSpectraModal = (e) => {\n e.stopPropagation();\n SpectraActions.ToggleModal();\n SpectraActions.LoadSpectra.defer(spcInfos); // going to fetch files base on spcInfos\n };\n\n const jcampIds = JcampIds(container);\n const hasJcamp = jcampIds.orig.length > 0;\n const confirmRegenerate = (e) => {\n e.stopPropagation();\n if (confirm('Regenerate spectra?')) {\n LoadingActions.start();\n SpectraActions.Regenerate(jcampIds, handleSubmit);\n }\n };\n\n const hasEditedJcamp = jcampIds.edited.length > 0;\n const confirmRegenerateEdited = (e) => {\n e.stopPropagation();\n if (confirm('Regenerate edited spectra?\\nWARNING: This process will override the simulated signals')) {\n LoadingActions.start();\n SpectraActions.RegenerateEdited(jcampIds, sample.molfile, () => {\n LoadingActions.stop();\n });\n }\n }\n\n const { hasChemSpectra } = UIStore.getState();\n\n return (\n \n {undoBtn(container, mode, handleUndo)}\n
\n \n \n \n \n \n \n Add to Report\n \n \n
\n );\n};\n\nconst HeaderNormal = ({\n sample, container, mode, readOnly, isDisabled, serial,\n handleRemove, handleSubmit, handleAccordionOpen, toggleAddToReport,\n}) => {\n const clickToOpen = () => handleAccordionOpen(serial);\n\n let kind = container.extended_metadata.kind || '';\n kind = (kind.split('|')[1] || kind).trim();\n const insText = instrumentText(container);\n const status = container.extended_metadata.status || '';\n const previewImg = previewContainerImage(container);\n const content = container.extended_metadata.content || { ops: [{ insert: '' }] };\n const contentOneLine = {\n ops: content.ops.map((x) => {\n const c = Object.assign({}, x);\n if (c.insert) c.insert = c.insert.replace(/\\n/g, ' ');\n return c;\n }),\n };\n let hasPop = true;\n let fetchNeeded = false;\n let fetchId = 0;\n if (previewImg.startsWith('data:image')) {\n fetchNeeded = true;\n fetchId = container.preview_img.id;\n } else {\n hasPop = false;\n }\n return (\n \n
\n \n {\n headerBtnGroup(\n container, sample, mode, handleRemove, handleSubmit,\n toggleAddToReport, isDisabled, readOnly,\n )\n }\n
\n \n );\n};\n\nexport { HeaderDeleted, HeaderNormal, AnalysisModeBtn };\n","import React from 'react';\nimport { DragSource, DropTarget } from 'react-dnd';\nimport { compose } from 'redux';\nimport DragDropItemTypes from './DragDropItemTypes';\nimport { HeaderDeleted, HeaderNormal } from './SampleDetailsContainersAux';\n\nconst orderSource = {\n beginDrag(props) {\n const { container, sample } = props;\n return { cId: container.id, sId: sample.id };\n },\n};\n\nconst orderTarget = {\n drop(targetProps, monitor) {\n const { container, sample, handleMove } = targetProps;\n const tgTag = { cId: container.id, sId: sample.id };\n const scTag = monitor.getItem();\n if (tgTag.sId === scTag.sId && tgTag.cId !== scTag.cId) {\n handleMove(scTag, tgTag);\n }\n },\n};\n\nconst orderDragCollect = (connect, monitor) => ({\n connectDragSource: connect.dragSource(),\n isDragging: monitor.isDragging(),\n});\n\nconst orderDropCollect = (connect, monitor) => ({\n connectDropTarget: connect.dropTarget(),\n isOver: monitor.isOver(),\n canDrop: monitor.canDrop(),\n});\n\nconst ContainerRow = ({\n sample, container, mode, readOnly, isDisabled, handleRemove,\n handleSubmit, handleAccordionOpen, toggleAddToReport, handleUndo,\n connectDragSource, connectDropTarget, isDragging, isOver, canDrop,\n}) => {\n const style = {};\n if (canDrop) {\n style.borderStyle = 'dashed';\n style.borderWidth = 2;\n }\n if (isOver) {\n style.borderColor = '#337ab7';\n }\n if (isDragging) {\n style.opacity = 0.2;\n }\n\n const oPanelCN = container.is_deleted ? \"order-panel-delete\" : \"order-panel\";\n\n return compose(connectDragSource, connectDropTarget)(\n \n
\n {container.name}
\n Type: {kind}
\n \n Status: {status} {qCheckMsg(sample, container)} {insText}\n
\n \n \n Content:\n \n
\n \n
,\n );\n};\n\nexport default compose(\n DragSource(DragDropItemTypes.CONTAINER, orderSource, orderDragCollect),\n DropTarget(DragDropItemTypes.CONTAINER, orderTarget, orderDropCollect),\n)(ContainerRow);\n","import React from 'react';\nimport { PanelGroup, Panel } from 'react-bootstrap';\nimport ContainerComponent from './ContainerComponent';\nimport ContainerRow from './SampleDetailsContainersDnd';\nimport {\n HeaderDeleted,\n HeaderNormal,\n AnalysisModeBtn\n} from './SampleDetailsContainersAux';\n\nconst RndNotAvailable = () => (\n \n \n
\n {\n container.is_deleted\n ? \n
\n);\n\nconst RndNoAnalyses = ({ addButton }) => (\n \n Not available.\n
\n\n
\n);\n\nconst RndOrder = ({\n sample, mode, readOnly, isDisabled, handleRemove, handleSubmit,\n handleMove, handleUndo, handleAccordionOpen, toggleAddToReport, toggleMode,\n orderContainers, addButton,\n}) => {\n return (\n {addButton()}
\n\n There are currently no Analyses.\n
\n\n
\n );\n};\n\nconst panelOnSelect = () => {};\n\nconst RndEdit = ({\n sample, mode, handleRemove, handleSubmit, handleAccordionOpen,\n toggleAddToReport, toggleMode, activeAnalysis, orderContainers, readOnly,\n isDisabled, addButton, handleChange, handleUndo,\n}) => {\n\n const headerDeletedFunc = container => (\n {AnalysisModeBtn(mode, toggleMode, isDisabled)}{addButton()}
\n {\n orderContainers.map((container, i) => {\n const id = container.id || `fake_${i}`;\n return (\n{addButton()}
\n\n \n {orderContainers.map((container, i) => {\n const id = container.id || `fake_${i}`;\n if (container.is_deleted) {\n return (\n \n {headerDeletedFunc(container)} \n \n );\n }\n\n return (\n \n {headerNormalFunc(container, id)} \n \n \n \n );\n })}\n \n
\n );\n};\n\nexport { RndNotAvailable, RndNoAnalyses, RndOrder, RndEdit };\n","import React, { Component } from 'react';\nimport PropTypes from 'prop-types';\nimport { Button } from 'react-bootstrap';\nimport Container from './models/Container';\nimport UIStore from './stores/UIStore';\nimport ArrayUtils from './utils/ArrayUtils';\nimport { reOrderArr } from './utils/DndControl';\nimport ViewSpectra from './ViewSpectra';\nimport {\n RndNotAvailable, RndNoAnalyses,\n RndOrder, RndEdit\n} from './SampleDetailsContainersCom';\n\nimport TextTemplateActions from './actions/TextTemplateActions';\n\nexport default class SampleDetailsContainers extends Component {\n constructor(props) {\n super();\n this.state = {\n activeAnalysis: UIStore.getState().sample.activeAnalysis,\n mode: 'edit',\n };\n this.onUIStoreChange = this.onUIStoreChange.bind(this);\n this.addButton = this.addButton.bind(this);\n this.handleChange = this.handleChange.bind(this);\n this.handleUndo = this.handleUndo.bind(this);\n this.handleRemove = this.handleRemove.bind(this);\n this.handleAccordionOpen = this.handleAccordionOpen.bind(this);\n this.handleAdd = this.handleAdd.bind(this);\n this.handleMove = this.handleMove.bind(this);\n this.toggleAddToReport = this.toggleAddToReport.bind(this);\n this.toggleMode = this.toggleMode.bind(this);\n this.isEqCId = this.isEqCId.bind(this);\n this.indexedContainers = this.indexedContainers.bind(this);\n this.buildEmptyAnalyContainer = this.buildEmptyAnalyContainer.bind(this);\n this.sortedContainers = this.sortedContainers.bind(this);\n }\n\n componentDidMount() {\n UIStore.listen(this.onUIStoreChange);\n TextTemplateActions.fetchTextTemplates('sample');\n }\n\n // componentWillReceiveProps(nextProps) {\n // }\n\n componentWillUnmount() {\n UIStore.unlisten(this.onUIStoreChange);\n }\n\n onUIStoreChange(state) {\n if (state.sample.activeAnalysis !== this.state.activeAnalysis) {\n this.setState({ activeAnalysis: state.sample.activeAnalysis });\n }\n }\n\n handleChange(container) {\n const { sample } = this.props;\n // const analyses = sample.container.children.find(child => (\n // child.container_type === 'analyses'\n // ));\n // analyses.children.map((child, ind) => {\n // if (child.container_type === 'analysis' && child.id === container.id) {\n // analyses.children[ind] = container;\n // }\n // return null;\n // });\n\n this.props.handleSampleChanged(sample);\n }\n\n handleAdd() {\n const { sample } = this.props;\n const newContainer = this.buildEmptyAnalyContainer();\n\n const sortedConts = this.sortedContainers(sample);\n const newSortConts = [...sortedConts, newContainer];\n const newIndexedConts = this.indexedContainers(newSortConts);\n\n sample.analysesContainers()[0].children = newIndexedConts;\n this.props.setState(prevState => ({ ...prevState, sample }),\n this.handleAccordionOpen(newContainer.id),\n );\n }\n\n handleMove(source, target) {\n const { sample } = this.props;\n\n const sortedConts = this.sortedContainers(sample);\n const newSortConts = reOrderArr(source, target, this.isEqCId, sortedConts);\n const newIndexedConts = this.indexedContainers(newSortConts);\n\n sample.analysesContainers()[0].children = newIndexedConts;\n this.props.setState(prevState => ({ ...prevState, sample }));\n }\n\n sortedContainers(sample) {\n const containers = sample.analysesContainers()[0].children;\n return ArrayUtils.sortArrByIndex(containers);\n }\n\n buildEmptyAnalyContainer() {\n const newContainer = Container.buildEmpty();\n newContainer.container_type = \"analysis\";\n newContainer.extended_metadata.content = { ops: [{ insert: '\\n' }] };\n return newContainer;\n }\n\n isEqCId(container, tagEl) {\n return container.id === tagEl.cId;\n }\n\n indexedContainers(containers) {\n return containers.map((c, i) => {\n const container = c;\n container.extended_metadata.index = i;\n return container;\n });\n }\n\n handleRemove(container) {\n const { sample } = this.props;\n container.is_deleted = true;\n\n this.props.setState(prevState => ({ ...prevState, sample }));\n }\n\n handleUndo(container) {\n const { sample } = this.props;\n container.is_deleted = false;\n\n this.props.setState(prevState => ({ ...prevState, sample }));\n }\n\n handleAccordionOpen(newKey) {\n this.setState((prevState) => {\n const prevKey = prevState.activeAnalysis;\n return { ...prevState,\n mode: 'edit',\n activeAnalysis: prevKey === newKey ? 0 : newKey,\n };\n });\n }\n\n addButton() {\n const { readOnly, sample } = this.props;\n if (readOnly) {\n return null;\n }\n return (\n {AnalysisModeBtn(mode, toggleMode, isDisabled)}{addButton()}
\n{addButton()}
\n\n { content }\n
\n );\n }\n return (\n \n {labelWrap}\n this.handleInputDoubleClick(event)}\n >\n this._handleInputValueChange(event)}\n onFocus={event => this._handleInputValueFocus(event)}\n onBlur={event => this._handleInputValueBlur(event)}\n name={name}\n />\n {prefixSwitch}\n \n
\n );\n }\n return (\n \n {labelWrap}\n
\n );\n }\n}\n\nNumeralInputWithUnitsCompo.propTypes = {\n onChange: PropTypes.func,\n onMetricsChange: PropTypes.func,\n unit: PropTypes.string,\n units: PropTypes.array,\n metricPrefix: PropTypes.string,\n metricPrefixes: PropTypes.array,\n precision: PropTypes.number,\n disabled: PropTypes.bool,\n label: PropTypes.node,\n bsSize: PropTypes.string,\n bsStyle: PropTypes.string,\n name: PropTypes.string\n};\n\nNumeralInputWithUnitsCompo.defaultProps = {\n unit: 'n',\n value: 0,\n units: [],\n disabled: false,\n block: false,\n bsSize: 'small',\n bsStyle: 'default',\n name: ''\n};\n","import React, {Component} from 'react';\nimport {Row, Col, Input, ListGroup, ListGroupItem, Button} from 'react-bootstrap';\n\n\nexport default class ElementalComposition extends React.Component {\n\n elementsList(elemental_composition) {\n let keys = Object.keys(elemental_composition.data);\n if(keys.length == 0) {\n return (\n this.handleInputDoubleClick(event)}>\n this._handleInputValueChange(event)}\n onFocus={event => this._handleInputValueFocus(event)}\n onBlur={event => this._handleInputValueBlur(event)}\n onDoubleClick={event => this.handleInputDoubleClick(event)}\n name={name}\n />\n
\n \n Sorry, it was not possible to calculate the elemental\n compositon. Check data please.\n
\n )\n }\n\n let elements = [];\n\n keys.map(function(key, index) {\n let value = elemental_composition.data[key];\n elements.push(\n \n \n {key}\n \n \n \n {Number(value).toFixed(2)}\n \n \n \n );\n });\n \n return elements;\n }\n\n relatedLoading(elemental_composition) {\n if(!elemental_composition.loading)\n return false;\n\n return (\n| \n {this.elementsList(elemental_composition, formula_changed)}\n | \n {this.relatedLoading(elemental_composition)}\n
| \n {this.elementsList(elemental_composition, concat_formula)}\n | \n {this.relatedLoading(elemental_composition)}\n
\n Formula has been changed. Please save sample to calculate the\n elemental compositon.\n
\n )\n }\n\n elemental_compositions.map((elemental_composition, key) => {\n if(Object.keys(elemental_composition.data).length)\n display_error = false;\n\n if(elemental_composition.composition_type == 'found') {\n el_composition_custom = elemental_composition;\n } else if(data.constructor === Array) {\n data.push(\n\n Sorry, it was not possible to calculate the elemental\n compositon. Check data please.\n
\n )\n }\n\n const custom = sample.can_update\n ? (\n {label}\n {data}\n {custom}\n
\n )\n\n }\n}\n","import React from 'react';\nimport {FormGroup, ControlLabel, FormControl, Radio, Button, Row, Col} from 'react-bootstrap';\nimport NumeralInputWithUnitsCompo from './NumeralInputWithUnitsCompo'\nimport ElementalCompositionGroup from './ElementalCompositionGroup'\nimport NotificationActions from './actions/NotificationActions'\nimport Select from 'react-select'\n\nexport default class PolymerSection extends React.Component {\n\n handleAmountChanged(amount) {\n this.props.parent.handleAmountChanged(amount);\n }\n\n handleCustomInfoNumericChanged(e, name, residue, sample) {\n residue.custom_info[name] = e.value;\n\n // make calculations if loading was changed\n if(name == 'loading') {\n\n this.handleAmountChanged(sample.amount);\n if(residue.custom_info.loading_type == 'external')\n sample.external_loading = e.value;\n\n let errorMessage;\n if(e.value == 0.0)\n errorMessage = 'Loading can not be 0. Please define a value.'\n\n let mw_defined = sample.molecule.molecular_weight;\n let value_to_check = e.value * mw_defined;\n\n if (value_to_check > 1000.0) {\n errorMessage = 'Combination of loading and molecular weight is wrong\\\n (MW*L > 1.0)'\n }\n\n if(errorMessage)\n NotificationActions.add({\n message: errorMessage,\n level: 'error'\n });\n\n } else {\n this.props.parent.handleSampleChanged(sample);\n }\n }\n\n handleCustomInfoChanged(e, residue, sample) {\n residue.custom_info[e.target.name] = e.target.value;\n\n if(e.target.name == \"formula\") {\n if(e.target.value) {\n sample.formulaChanged = true;\n }\n }\n\n this.props.parent.handleSampleChanged(sample);\n }\n\n handlePRadioChanged(e, residue, sample) {\n residue.custom_info['loading_type'] = e.target.value;\n\n if(e.target.value == 'external'){\n sample.loading = sample.external_loading;\n }\n else {\n let e_compositon = sample.elemental_compositions.find(function(item) {\n return item.composition_type == e.target.value\n });\n\n if (e_compositon)\n sample.loading = e_compositon.loading;\n }\n\n this.props.parent.handleSampleChanged(sample);\n }\n\n handlePolymerTypeSelectChanged(value, residue, sample){\n residue.custom_info['polymer_type'] = value;\n delete residue.custom_info['surface_type'];\n\n // tell parent (SampleDetails) component about changes\n this.props.parent.handleSampleChanged(sample);\n }\n\n handleSurfaceTypeSelectChanged(value, residue, sample){\n residue.custom_info['surface_type'] = value;\n delete residue.custom_info['polymer_type'];\n this.props.parent.handleSampleChanged(sample);\n }\n\n\n checkInputStatus(sample, key) {\n if (sample['error_' + key]) {\n return 'error';\n } else {\n return 'success';\n }\n }\n\n polymerFormula(sample, residue) {\n return (\n | \n \n | \n
|---|
| \n | \n
\n \n
\n
\n\n
\n \n this.props.parent.handleSampleChanged(s)}\n sample={sample}/>\n \n
\n
\n )\n }\n}\n","import React from 'react';\nimport {\n Tooltip,\n OverlayTrigger\n} from 'react-bootstrap';\nimport PropTypes from 'prop-types';\n\nconst ToggleSection = ({ show }) => (\n \n
\n Toggle Section}>\n \n \n \n \n
\n);\n\nToggleSection.propTypes = {\n show: PropTypes.bool,\n};\n\nToggleSection.defaultProps = {\n show: true\n};\n\nexport default ToggleSection;\n","import React, { Component } from 'react';\nimport PropTypes from 'prop-types';\nimport { ControlLabel, FormGroup, InputGroup, FormControl } from 'react-bootstrap';\n\nexport default class TextRangeWithAddon extends Component {\n handleInputChange(e) {\n const input = e.target;\n input.focus();\n const { value, selectionStart } = input;\n let newValue = value;\n const lastChar = value[selectionStart - 1] || '';\n if (lastChar !== '' && !lastChar.match(/-|\\d|\\.| |(,)/)) {\n const reg = new RegExp(lastChar, 'g');\n newValue = newValue.replace(reg, '');\n this.input.value = newValue;\n return;\n }\n newValue = newValue.replace(/--/g, '');\n newValue = newValue.replace(/,/g, '.');\n newValue = newValue.replace(/\\.+\\./g, '.');\n newValue = newValue.replace(/ - /g, ' ');\n this.input.value = newValue;\n }\n\n handleInputFocus() {\n this.input.value = this.input.value.trim().replace(/ – /g, ' ');\n }\n\n handleInputBlur() {\n this.input.value = this.input.value.trim();\n const result = this.input.value.match(/[-.0-9]+|[0-9]/g);\n if (result) {\n // eslint-disable-next-line no-restricted-globals\n const nums = result.filter(r => !isNaN(r));\n if (nums.length > 0) {\n let lower = null;\n let upper = null;\n if (nums.length === 1) {\n lower = nums.shift();\n upper = lower;\n this.input.value = Number.parseFloat(lower).toString();\n } else {\n lower = nums.shift();\n upper = nums.pop();\n this.input.value = (Number.parseFloat(lower).toString().concat(' – ', Number.parseFloat(upper))).trim();\n }\n this.props.onChange(this.props.field, Number.parseFloat(lower), Number.parseFloat(upper));\n } else {\n this.input.value = '';\n this.props.onChange(this.props.field, '', '');\n }\n } else {\n this.props.onChange(this.props.field, '', '');\n }\n }\n\n render() {\n const {\n addon, disabled, label, tipOnText\n } = this.props;\n return (\n \n \n \n
\n \n \n
\n
\n );\n};\n\nclass SampleDetailsSolventsDnd extends React.Component {\n constructor(props) {\n super(props);\n }\n\n render() {\n const {\n sample,\n isOver, canDrop, connectDropTarget, dropSample, deleteSolvent, onChangeSolvent\n } = this.props;\n const style = {\n padding: '2px 5px',\n };\n if (isOver && canDrop) {\n style.borderStyle = 'dashed';\n style.borderColor = '#337ab7';\n } else if (canDrop) {\n style.borderStyle = 'dashed';\n }\n return connectDropTarget(\n | \n | \n | \n
|---|
| \n | Label | \nRatio | \n\n |
|---|
\n
\n );\n }\n}\n\nexport default DropTarget(\n [DragDropItemTypes.SAMPLE, DragDropItemTypes.MOLECULE],\n target,\n collect,\n)(SampleDetailsSolventsDnd);\n\nSampleDetailsSolventsDnd.propTypes = {\n sample: PropTypes.instanceOf(Sample).isRequired,\n headIndex: PropTypes.number,\n onChangeSolvent: PropTypes.func.isRequired,\n dropSample: PropTypes.func.isRequired,\n isOver: PropTypes.bool.isRequired,\n canDrop: PropTypes.bool.isRequired,\n connectDropTarget: PropTypes.func.isRequired,\n deleteSolvent: PropTypes.func.isRequired,\n}\n","import React from 'react';\nimport PropTypes from 'prop-types';\nimport {\n ListGroup, ListGroupItem, Collapse, Button, ButtonGroup\n} from 'react-bootstrap';\nimport Sample from './models/Sample';\nimport Molecule from './models/Molecule';\nimport SampleDetailsSolventsDnd from './SampleDetailsSolventsDnd';\n\n\nexport default class SampleDetailsSolvents extends React.Component {\n constructor(props) {\n super(props);\n\n const { sample } = props;\n this.state = {\n open: false,\n sample: sample\n };\n\n this.dropSample = this.dropSample.bind(this);\n this.deleteSolvent = this.deleteSolvent.bind(this);\n this.onChangeSolvent = this.onChangeSolvent.bind(this);\n }\n\n onChangeSolvent(solvent) {\n const { sample } = this.state;\n sample.updateSolvent(solvent);\n this.props.onChange(sample);\n }\n\n dropSample(srcSample, tagMaterial, tagGroup, extLabel, isNewSample = false) {\n const { sample } = this.state;\n let splitSample;\n\n if (srcSample instanceof Molecule || isNewSample) {\n // Create new Sample with counter\n splitSample = Sample.buildNew(srcSample, sample.collection_id, tagGroup);\n } else if (srcSample instanceof Sample) {\n splitSample = srcSample.buildChild();\n }\n\n sample.addSolvent(splitSample);\n this.props.onChange(sample);\n }\n\n deleteSolvent(solvent) {\n const { sample } = this.state;\n sample.deleteSolvent(solvent);\n this.props.onChange(sample);\n }\n\n solventCollapseBtn() {\n const { open } = this.state;\n const arrow = open\n ? \n : ;\n return (\n \n \n \n { this.solventCollapseBtn() }\n \n \n \n \n
\n );\n }\n}\n\nSampleDetailsSolvents.propTypes = {\n sample: PropTypes.instanceOf(Sample).isRequired,\n onChange: PropTypes.func.isRequired,\n isOver: PropTypes.bool.isRequired,\n canDrop: PropTypes.bool.isRequired,\n};\n\nSampleDetailsSolvents.defaultProps = {\n canDrop: true,\n isOver: false\n};\n","/* eslint-disable object-shorthand, no-trailing-spaces, \nobject-property-newline, semi, react/no-unused-prop-types, react/prop-types */\nimport React from 'react';\nimport PropTypes from 'prop-types';\nimport { FormGroup, ControlLabel, FormControl, Button, OverlayTrigger, Tooltip } from 'react-bootstrap';\nimport PrivateNoteFetcher from './fetchers/PrivateNoteFetcher';\nimport PrivateNote from './models/PrivateNote';\n\nexport default class PrivateNoteElement extends React.Component {\n constructor(props) {\n super(props);\n this.state = {\n note: undefined,\n isSaving: false\n };\n }\n\n componentDidMount() {\n const { element } = this.props;\n this.fetchNote(element);\n }\n\n fetchNote(element) {\n if (element === undefined || element.is_new) {\n return;\n }\n\n PrivateNoteFetcher.fetchByNoteableId(element.id, element.type).then((note) => {\n if (note != null) {\n this.setState({ note: note });\n }\n }).catch((errorMessage) => {\n console.log(errorMessage);\n });\n }\n\n handleInputChange(value) {\n let { note } = this.state;\n if (note === undefined) {\n note = PrivateNote.buildEmpty();\n }\n note.content = value;\n this.setState({ note: note });\n }\n\n saveNote() {\n const { note } = this.state;\n const { element } = this.props;\n if (!element || !note) {\n return;\n }\n this.setState({isSaving: true})\n if (!note.created_at) {\n const params = { \n content: note.content, noteable_id: element.id, \n noteable_type: element.type \n };\n PrivateNoteFetcher.create(params).then((newNote) => {\n this.setState({ note: newNote, isSaving: false });\n }).catch((errorMessage) => {\n console.log(errorMessage);\n this.setState({isSaving: false})\n });\n } else {\n PrivateNoteFetcher.update(note).then((newNote) => {\n this.setState({ note: newNote, isSaving: false });\n }).catch((errorMessage) => {\n console.log(errorMessage);\n this.setState({isSaving: false})\n });\n }\n }\n\n render() {\n const { note, isSaving } = this.state;\n const content = note ? note.content : '';\n let disabled = this.props.disabled || false;\n const { element } = this.props;\n if (element && element.is_new) {\n disabled = true;\n }\n\n return (\n \n
\n \n \n \n \n
\n );\n }\n\n infoMessage = () => (\n | \n \n \n \n {this.moleculeInput()}\n {this.stereoAbsInput()}\n {this.stereoRelInput()}\n \n \n {this.topSecretCheckbox(sample)}\n \n {\n enableSampleDecoupled ? (\n {this.decoupledCheckbox(sample)} \n ) : null\n }\n | \n ||
| \n \n \n \n {this.textInput(sample, 'name', 'Name')}\n \n \n {this.textInput(sample, 'external_label', 'External label')}\n \n \n \n \n \n {/* \n \n {this.sampleSolvent(sample)}\n */}\n | \n ||
| \n {\n this.textInput(sample, 'sum_formula', 'Sum formula')\n }\n | \n||
\n
| \n ||
| \n | \n ||
| {this.sampleDescription(sample)} | \n||
| \n {this.textInput(sample, 'location', 'Location')}\n | \n||
| \n | \n
\n
\n );\n }\n}\n\nComputedPropsGraph.propTypes = {\n data: PropTypes.arrayOf(PropTypes.object).isRequired,\n show: PropTypes.bool.isRequired,\n xAxis: PropTypes.object.isRequired,\n yAxis: PropTypes.object.isRequired,\n referencePoints: PropTypes.arrayOf(PropTypes.object).isRequired,\n // referenceDesc: PropTypes.string.isRequired,\n};\n","import React from 'react';\nimport PropTypes from 'prop-types';\nimport { AgGridReact } from 'ag-grid-react';\n\nimport { Button } from 'react-bootstrap';\n\nfunction TableEditBtn({ dataLength, onEditBtnClick, node }) {\n const isAdd = node.rowIndex === dataLength;\n const btnIcon = isAdd ? 'fa-plus' : 'fa-minus';\n\n return (\n \n \n this.setState({ lastDrawLocation: area })}\n />\n \n \n )}\n
\n \n
\n \n
\n \n {Object.keys(hintValue).map(key => (\n
\n \n \n {key}\n \n {': '}\n \n {hintValue[key]}\n \n
\n ))}\n \n
\n \n
\n );\n }\n}\n\nGraphReferenceTable.propTypes = {\n data: PropTypes.arrayOf(PropTypes.object).isRequired,\n updateData: PropTypes.func.isRequired,\n xLabel: PropTypes.string.isRequired,\n yLabel: PropTypes.string.isRequired,\n};\n","import React from 'react';\nimport PropTypes from 'prop-types';\nimport _ from 'lodash';\n\nimport Select from 'react-select';\nimport {\n Grid, Row, Col, Button, ControlLabel, Form, FormGroup, FormControl\n} from 'react-bootstrap';\n\nimport UserStore from '../stores/UserStore';\nimport UserActions from '../actions/UserActions';\n\nimport ComputedPropsGraph from './ComputedPropsGraph';\nimport GraphReferenceTable from './GraphReferenceTable';\n\nconst etlReferences = [\n { x: -1.8, y: 50, type: 'reference' },\n { x: -1.8, y: 90, type: 'reference' },\n { x: -2.2, y: 50, type: 'reference' },\n { x: -2.0, y: 10, type: 'reference' },\n { x: -1.6, y: 10, type: 'reference' },\n { x: -1.4, y: 50, type: 'reference' }\n];\n\nconst defaultTemplate = {\n name: 'Default',\n xAxisType: 'lumo',\n yAxisType: 'mean_abs_potential',\n referenceDesc: 'Compounds are interesting as material for the ' +\n 'Electron Transport Layer (ETL)',\n referencePoints: etlReferences,\n};\n\nconst graphSettings = {\n mean_abs_potential: { label: 'ESP', unit: 'mV', range: [0, 400] },\n lumo: { label: 'LUMO', unit: 'eV', range: [-7, 2] },\n homo: { label: 'HOMO', unit: 'eV', range: [-12, 0] },\n ip: { label: 'IP', unit: 'eV', range: [2, 10] },\n ea: { label: 'EA', unit: 'eV', range: [-2, 6] },\n dipol_debye: { label: 'Dipol', unit: 'debye', range: [0, 14] },\n};\n\nexport default class ComputedPropsGraphContainer extends React.Component {\n constructor(props) {\n super(props);\n\n this.state = {\n curTemplateIdx: 0,\n graphTemplates: [],\n };\n\n this.onUserChange = this.onUserChange.bind(this);\n this.onTemplateChange = this.onTemplateChange.bind(this);\n this.onXAxisChange = this.onXAxisChange.bind(this);\n this.onYAxisChange = this.onYAxisChange.bind(this);\n\n this.updateReferences = this.updateReferences.bind(this);\n this.saveTemplate = this.saveTemplate.bind(this);\n this.deleteTemplate = this.deleteTemplate.bind(this);\n this.onDescChange = this.onDescChange.bind(this);\n }\n\n componentDidMount() {\n UserStore.listen(this.onUserChange);\n }\n\n UNSAFE_componentWillReceiveProps() {\n this.onUserChange();\n }\n\n componentWillUnmount() {\n UserStore.unlisten(this.onUserChange);\n }\n\n onUserChange() {\n const userState = UserStore.getState();\n const profileData = _.get(userState, 'profile.data', {});\n const graphTemplates = _.get(\n profileData,\n 'computed_props.graph_templates',\n [defaultTemplate]\n );\n\n const curTemplateIdx = _.get(profileData, 'computed_props.cur_template_idx', 0);\n this.setState({ graphTemplates, curTemplateIdx });\n }\n\n onXAxisChange(xAxis) {\n const { curTemplateIdx, graphTemplates } = this.state;\n const newGraphTemplates = graphTemplates.map((templ, idx) => {\n if (idx === curTemplateIdx) {\n const newTempl = _.cloneDeep(templ);\n newTempl.xAxisType = xAxis.value;\n return newTempl;\n }\n return templ;\n });\n\n this.setState({ graphTemplates: newGraphTemplates });\n }\n\n onYAxisChange(yAxis) {\n const { curTemplateIdx, graphTemplates } = this.state;\n const newGraphTemplates = graphTemplates.map((templ, idx) => {\n if (idx === curTemplateIdx) {\n const newTempl = _.cloneDeep(templ);\n newTempl.yAxisType = yAxis.value;\n return newTempl;\n }\n return templ;\n });\n\n this.setState({ graphTemplates: newGraphTemplates });\n }\n\n onDescChange(e) {\n const { curTemplateIdx, graphTemplates } = this.state;\n const desc = e.target.value;\n const newGraphTemplates = graphTemplates.map((templ, idx) => {\n if (idx === curTemplateIdx) {\n const newTempl = _.cloneDeep(templ);\n newTempl.referenceDesc = desc;\n return newTempl;\n }\n return templ;\n });\n\n this.setState({ graphTemplates: newGraphTemplates });\n }\n\n onTemplateChange(template) {\n const { graphTemplates } = this.state;\n const tIdx = graphTemplates.findIndex(t => t.name === template.label);\n if (tIdx > -1) {\n this.setState({ curTemplateIdx: tIdx });\n } else {\n const newTempl = {\n name: template.label,\n xAxisType: 'lumo',\n yAxisType: 'mean_abs_potential',\n referenceDesc: '',\n referencePoints: [],\n };\n\n graphTemplates.push(newTempl);\n this.setState({\n graphTemplates,\n curTemplateIdx: graphTemplates.length - 1,\n });\n }\n }\n\n updateReferences(refs) {\n const { curTemplateIdx, graphTemplates } = this.state;\n const newGraphTemplates = graphTemplates.map((templ, idx) => {\n if (idx === curTemplateIdx) {\n const newTempl = _.cloneDeep(templ);\n newTempl.referencePoints = refs;\n return newTempl;\n }\n return templ;\n });\n\n this.setState({ graphTemplates: newGraphTemplates });\n }\n\n saveTemplate() {\n const userProfile = UserStore.getState().profile;\n const { graphTemplates, curTemplateIdx } = this.state;\n _.set(userProfile, 'data.computed_props.graph_templates', graphTemplates);\n _.set(userProfile, 'data.computed_props.cur_template_idx', curTemplateIdx);\n UserActions.updateUserProfile(userProfile);\n }\n\n deleteTemplate() {\n const userProfile = UserStore.getState().profile;\n const { graphTemplates } = this.state;\n const { curTemplateIdx } = this.state;\n const newGraphTemplates = _.cloneDeep(graphTemplates);\n newGraphTemplates.splice(curTemplateIdx, 1);\n const newTemplateIdx = curTemplateIdx > 1 ? (curTemplateIdx - 1) : 0;\n _.set(userProfile, 'data.computed_props.graph_templates', newGraphTemplates);\n _.set(userProfile, 'data.computed_props.cur_template_idx', newTemplateIdx);\n UserActions.updateUserProfile(userProfile);\n }\n\n render() {\n const { show, graphData, style } = this.props;\n if (!show || graphData.length === 0) return ;\n\n const { curTemplateIdx, graphTemplates } = this.state;\n const template = graphTemplates.size === 0 ?\n defaultTemplate :\n graphTemplates[curTemplateIdx];\n\n const xAxisType = template.xAxisType || 'lumo';\n const yAxisType = template.yAxisType || 'mean_abs_potential';\n const xAxis = graphSettings[xAxisType] || graphSettings.lumo;\n const yAxis = graphSettings[yAxisType] || graphSettings.mean_abs_potential;\n\n const { referenceDesc } = template;\n const referencePoints = template.referencePoints || etlReferences;\n if (referencePoints.length === 0) {\n referencePoints.push({ x: '', y: '', type: 'reference' });\n }\n\n const data = graphData.filter(dat => dat.props).map(dat => ({\n name: dat.name,\n svgPath: dat.svgPath,\n x: _.get(dat, `props.${xAxisType}`, dat.props.lumo),\n y: _.get(dat, `props.${yAxisType}`, dat.props.mean_abs_potential),\n }));\n\n const axisSelectOptions = Object.keys(graphSettings).map(k => (\n { label: graphSettings[k].label, value: k }\n ));\n const templateOptions = graphTemplates.map((templ, idx) => (\n { label: templ.name, value: idx }\n ));\n\n return (\n \n
\n );\n }\n}\n\nSampleComputedProps.propTypes = {\n cprops: PropTypes.arrayOf(PropTypes.object).isRequired,\n};\n","import React from 'react';\nimport {Tabs, Tab, Button, Label, Modal, ButtonToolbar} from 'react-bootstrap';\n\nconst ConfirmModal = ({ showModal, title, content, onClick, dialogClassName }) => {\n return (\n \n
\n \n \n Compute\n \n \n \n {text} {arrow}\n \n \n
\n );\n }\n}\n\nComputedPropsContainer.propTypes = {\n sample: PropTypes.object.isRequired,\n};\n","import React from 'react';\nimport PropTypes from 'prop-types';\nimport { Button, FormControl, OverlayTrigger, Tooltip } from 'react-bootstrap';\nimport uuid from 'uuid';\nimport Literature from './models/Literature';\nimport { CitationType, CitationTypeMap } from './CitationType';\n\nconst RefByUserInfo = ({ info, litype }) => {\n if (typeof (info) === 'undefined' || !info || info.length === 0) {\n return ();\n }\n return (\n \n {citation.format('bibliography', { format: 'text', template: 'apa' })}\n
\n );\n }\n } else if (onlyText) {\n content = literature.title || ' ';\n } else {\n content = {literature.title}{literature.year ? `, ${literature.year}` : null};\n }\n return content;\n};\n\nconst Citation = ({ literature }) => {\n const {\n title, doi, url, isbn\n } = literature;\n const formatedDoi = doi ? `https://dx.doi.org/${sanitizeDoi(doi)}` : null;\n const link = formatedDoi || url || isbn;\n const content = literatureContent(literature);\n return (\n e.stopPropagation()}>{content}\n );\n};\nCitation.propTypes = {\n literature: PropTypes.instanceOf(Literature).isRequired\n};\n\nconst CitationUserRow = ({ literature, userId }) => (\n added by {userId && literature.user_id === userId ? 'me' : literature.user_name}\n \n {(typeof literature.litype == 'undefined' || literature.litype == null || literature.litype == '') ? '' : `, type: ${literature.litype}`}\n \n);\n\nCitationUserRow.propTypes = {\n literature: PropTypes.instanceOf(Literature).isRequired,\n userId: PropTypes.number,\n};\nCitationUserRow.defaultProps = {\n userId: 0,\n};\n\nconst groupByCitation = literatures => (\n literatures.keySeq().toArray().sort((i, j) => {\n // group by literature id then sort by user id\n const a = literatures.get(i);\n const b = literatures.get(j);\n return ((a.id === b.id) ? (a.user_id - b.user_id) : (a.id - b.id));\n }).reduce((acc, currentValue, i, array) => {\n // duplicate first row of each literature group\n acc.push(currentValue);\n if (i > 0) {\n const a = literatures.get(array[i]);\n const b = literatures.get(array[i - 1]);\n if (a.id !== b.id) { acc.push(currentValue); }\n } else { acc.push(currentValue); }\n return acc;\n }, [])\n);\n\nconst sortByElement = literatures => (\n literatures.keySeq().toArray().sort((i, j) => {\n // group by literature id then sort by user id\n const a = literatures.get(i);\n const b = literatures.get(j);\n if (a.element_id === b.element_id && a.element_type === b.element_type) {\n return (a.id - b.id);\n }\n return (a.element_id - b.element_id);\n }).reduce((acc, currentValue, i, array) => {\n // duplicate first row of each literature group\n acc.push(currentValue);\n if (i > 0) {\n const a = literatures.get(array[i]);\n const b = literatures.get(array[i - 1]);\n if (a.id !== b.id || (a.element_id !== b.element_id || a.element_type !== b.element_type)) {\n acc.push(currentValue);\n }\n } else { acc.push(currentValue); }\n return acc;\n }, [])\n);\n\nconst sortByReference = literatures => (\n literatures.keySeq().toArray().sort((i, j) => {\n // group by literature id then sort by user id\n const a = literatures.get(i);\n const b = literatures.get(j);\n if (a.id === b.id) {\n return ((a.element_id === b.element_id && a.element_type === b.element_type) ?\n (a.user_id - b.user_id) : (a.element_updated_at - b.element_updated_at));\n }\n return (a.id - b.id);\n }).reduce((acc, currentValue, i, array) => {\n // duplicate first row of each literature group\n acc.push(currentValue);\n if (i > 0) {\n const a = literatures.get(array[i]);\n const b = literatures.get(array[i - 1]);\n if (a.id !== b.id) { acc.push(currentValue); }\n } else { acc.push(currentValue); }\n return acc;\n }, [])\n);\n\nexport {\n Citation,\n CitationUserRow,\n doiValid,\n sanitizeDoi,\n literatureUrl,\n AddButton,\n isLiteratureValid,\n LiteratureInput,\n groupByCitation,\n sortByElement,\n sortByReference,\n literatureContent,\n LiteralType,\n RefByUserInfo\n};\n","import 'whatwg-fetch';\nimport Immutable from 'immutable';\nimport Literature from '../models/Literature';\n\nexport default class LiteraturesFetcher {\n static fetchElementReferences(element) {\n if (!element || element.isNew) {\n return Promise.resolve(Immutable.List())\n }\n const { type, id } = element;\n return fetch(`/api/v1/literatures?element_type=${type}&element_id=${id}`, {\n credentials: 'same-origin'\n }).then(response => response.json())\n .then(json => json.literatures)\n .then(literatures => literatures.map(literature => new Literature(literature)))\n .then(lits => lits.reduce((acc, l) => acc.set(l.literal_id, l), new Immutable.Map()))\n .catch((errorMessage) => { console.log(errorMessage); });\n }\n\n static postElementReference(params) {\n const { element, literature } = params;\n const { type, id } = element;\n if (!element || element.isNew) {\n return Promise.resolve(Immutable.List())\n }\n return fetch('/api/v1/literatures', {\n credentials: 'same-origin',\n method: 'post',\n headers: {\n Accept: 'application/json',\n 'Content-Type': 'application/json'\n },\n body: JSON.stringify({ element_type: type, element_id: id, ref: literature })\n }).then(response => response.json())\n .then((json) => { if (json.error) { throw json; } return json.literatures; })\n .then(literatures => literatures.map(lits => new Literature(lits)))\n .then(lits => lits.reduce((acc, l) => acc.set(l.literal_id, l), new Immutable.Map()))\n .catch((errorMessage) => { console.log(errorMessage); throw errorMessage; });\n }\n\n static deleteElementReference(params) {\n const { element, literature } = params;\n const { type, id } = element;\n const refId = literature.literal_id;\n return fetch(`/api/v1/literatures?id=${refId}&element_type=${type}&element_id=${id}`, {\n credentials: 'same-origin',\n method: 'delete',\n headers: {\n Accept: 'application/json',\n },\n }).then(response => response.json())\n .then((json) => { if (json.error) { throw json; } })\n .catch((errorMessage) => { throw errorMessage; });\n }\n\n static updateReferenceType(params) {\n return fetch('/api/v1/literatures', {\n credentials: 'same-origin',\n method: 'put',\n headers: {\n Accept: 'application/json',\n 'Content-Type': 'application/json'\n },\n body: JSON.stringify(params)\n }).then(response => response.json())\n .then((json) => { if (json.error) { throw json; } return json.literatures; })\n .then(literatures => literatures.map(lits => new Literature(lits)))\n .then(lits => lits.reduce((acc, l) => acc.set(l.literal_id, l), new Immutable.Map()))\n .catch((errorMessage) => { console.log(errorMessage); throw errorMessage; });\n }\n\n static fetchDOIMetadata(doi) {\n return fetch(`/api/v1/literatures/doi/metadata?doi=${encodeURIComponent(doi)}`, {\n credentials: 'same-origin',\n }).then(response => response.json())\n .catch((errorMessage) => { console.log(errorMessage); });\n }\n\n static fetchReferencesByCollection(params) {\n return fetch(`/api/v1/literatures/collection?id=${params.id}&is_sync_to_me=${params.is_sync_to_me || false}`, {\n credentials: 'same-origin',\n }).then(response => response.json())\n .then((json) => {\n const {\n collectionRefs,\n sampleRefs,\n reactionRefs,\n researchPlanRefs,\n } = json;\n return {\n collectionRefs: Immutable.List(collectionRefs.map(lit => new Literature(lit))),\n sampleRefs: Immutable.List(sampleRefs.map(lit => new Literature(lit))),\n reactionRefs: Immutable.List(reactionRefs.map(lit => new Literature(lit))),\n researchPlanRefs: Immutable.List(researchPlanRefs.map(lit => new Literature(lit))),\n };\n })\n .catch((errorMessage) => { console.log(errorMessage); });\n }\n\n static postReferencesByUIState(params, method = 'post') {\n return fetch(`/api/v1/literatures/ui_state`, {\n credentials: 'same-origin',\n method,\n headers: {\n 'Accept': 'application/json',\n 'Content-Type': 'application/json'\n },\n body: JSON.stringify(params)\n }).then(response => response.json())\n .then(json => json.selectedRefs.map(lit => new Literature(lit)))\n .then(lits => lits.reduce((acc, l) => acc.set(l.literal_id, l), new Immutable.Map()))\n .catch((errorMessage) => { console.log(errorMessage); });\n }\n}\n","import React from 'react';\nimport { Panel, ButtonGroup, Button, OverlayTrigger, Tooltip, Popover } from 'react-bootstrap';\nimport { uniq } from 'lodash';\nimport { Citation, literatureContent } from './LiteratureCommon';\nimport { CitationType, CitationTypeMap, CitationTypeEOL } from './CitationType';\n\nconst changeTypeBtn = (litype, updId, fn) => {\n const cands = CitationType.filter(e => e !== litype);\n const popover = (\n \n
\n );\n });\n result = result.filter(r => r);\n return result;\n};\n\nconst CitationPanel = (props) => {\n const {\n title, fnDelete, sortedIds, rows, fnUpdate\n } = props;\n let result = buildRow(title, fnDelete, sortedIds, rows, fnUpdate);\n if (title === 'uncategorized' && result.length === 0) return null;\n result = (result.length > 0) ? result : (No Data);\n return (\n \n added by {citation.user_name}}>\n {cnt}. \n \n
\n \n \n copy to clipboard}>\n \n \n {changeTypeBtn(litype, id, fnUpdate)}\n \n \n
\n \n \n
\n \n
\n
\n );\n};\n\nPubchemLcss.propTypes = {\n cid: PropTypes.number.isRequired,\n informArray: PropTypes.arrayOf(PropTypes.shape({\n ReferenceNumber: PropTypes.number.isRequired,\n Name: PropTypes.string.isRequired,\n StringValue: PropTypes.string.isRequired,\n })).isRequired,\n};\n\nexport default PubchemLcss;\n","const evalMsg = (score) => {\n if (score === 'incomplete analysis') {\n return 'MS, 13C NMR and 1H NMR must exist.';\n } else if (score <= -4) {\n return 'Your data seems to contain errors according to your analysis. Please check the description of the analysis’ content.';\n } else if (score <= -3) {\n return 'Your analysis might be right, but we are unable to approve it without data and additional information. Please add data or refer your data to already submitted samples with full analysis.';\n } else if (score <= -1) {\n return 'Your analysis might be right, please add data to approve it.';\n } else if (score <= 0) {\n return 'Data to your analyses is detected but a reliable automated evaluation is not possible.';\n } else if (score <= 4) {\n return 'Check your data, the data does not reflect your analysis.';\n } else if (score <= 7) {\n return 'Check your data, the data does not reflect your analysis in a comprehensive way.';\n } else if (score <= 9) {\n return 'Your data is almost complete, please check for further data available.';\n } else if (score <= 10) {\n return 'Your data is consistent with the theoretically expected ones, thank you!';\n }\n return 'Unknown status.';\n};\n\nconst isDisabled = ({ dav, qck, conclusionOwn }) => {\n const { ansQck } = qck;\n return dav === undefined && ansQck === undefined && conclusionOwn === undefined;\n};\n\nconst isIncompDf = ({ dav, qck }) => qck && dav === undefined; // no dav, yes qck\n\nconst isDavGood = ({ dav }) => !!dav;\n\nconst isQckGood = ({ qck }) => qck.ansQck;\n\nconst isQcpGood = ({ conclusionOwn }) => conclusionOwn;\n\nconst isOnlyPrc = ({ dav, conclusionOwn }) => dav !== undefined && conclusionOwn === undefined;\nconst isMorePrc = ({ dav, conclusionOwn }) => dav !== undefined && conclusionOwn !== undefined;\n\nconst evalScoreStd1 = (ansHnmr, ansCnmr, ansMs, ansIr) => {\n const isOneDavFail = !isDavGood(ansHnmr) || !isDavGood(ansCnmr) || !isDavGood(ansMs);\n const isAllQckGood = isQckGood(ansHnmr) && isQckGood(ansCnmr) && isQckGood(ansMs);\n const isQcpGoodBothHnmrCnmr = isQcpGood(ansHnmr) && isQcpGood(ansCnmr);\n const isQcpGoodBothMsIr = isQcpGood(ansMs) && isQcpGood(ansIr);\n const isQcpGoodHnmrOrCnmr = isQcpGood(ansHnmr) || isQcpGood(ansCnmr);\n const isQcpGoodMsOrIr = isQcpGood(ansMs) || isQcpGood(ansIr);\n\n if (isOneDavFail) return 'nonZeroDisabled';\n if (!isDavGood(ansIr)\n && isAllQckGood\n ) return -2;\n if (!isDavGood(ansIr)) return -4;\n\n if (isAllQckGood\n && isQcpGoodBothHnmrCnmr && isQcpGoodBothMsIr\n ) return 10;\n\n if (isAllQckGood\n && isQcpGoodBothHnmrCnmr && isQcpGoodMsOrIr\n ) return 9;\n\n if (isAllQckGood\n && isQcpGoodBothHnmrCnmr\n ) return 8;\n\n if (isAllQckGood\n && isQcpGoodHnmrOrCnmr && isQcpGoodBothMsIr\n ) return 7;\n\n if (isAllQckGood\n && isQcpGoodHnmrOrCnmr && isQcpGoodMsOrIr\n ) return 6;\n\n if (isAllQckGood\n && isQcpGoodHnmrOrCnmr\n ) return 5;\n\n if (isAllQckGood\n && isQcpGoodBothMsIr\n ) return 4;\n\n if (isAllQckGood\n && isQcpGoodMsOrIr\n ) return 3;\n\n if (isAllQckGood) return 2;\n\n return 0;\n};\n\nconst evalScore = (ansHnmr, ansCnmr, ansMs, ansIr, curation) => {\n switch (curation) {\n case 1:\n return 'Unknow curation.';\n case 2:\n default:\n return evalScoreStd1(ansHnmr, ansCnmr, ansMs, ansIr);\n }\n};\n\nconst evalCurTitle = (curation) => {\n switch (curation) {\n case 1:\n return 'No curation standard';\n case 2:\n default:\n return 'Standard: Curation standard I: experimental organic chemistry';\n }\n};\n\nconst evalLabel = (score) => {\n if (typeof score === 'string') return 'box-qcsum-score bc-bs-dark';\n if (score === 0) return 'box-qcsum-score bc-bs-warning';\n return score > 0\n ? 'box-qcsum-score bc-bs-success'\n : 'box-qcsum-score bc-bs-danger';\n};\n\nconst evalScoreTxt = (score) => {\n if (typeof score === 'string') return '-';\n return score;\n};\n\nexport { evalMsg, evalScore, evalLabel, evalScoreTxt, evalCurTitle };\n","import React from 'react';\nimport PropTypes from 'prop-types';\n\nimport { evalCurTitle } from './eval';\n\nconst AreaTitle = ({ curation }) => (\n \n
\n);\n\nAreaTitle.propTypes = {\n curation: PropTypes.number.isRequired,\n};\n\nexport default AreaTitle;\n","import React from 'react';\nimport PropTypes from 'prop-types';\nimport { OverlayTrigger, Tooltip } from 'react-bootstrap';\n\nimport { evalMsg, evalLabel, evalScoreTxt } from './eval';\n\nconst tpMsg = score => (\n \n \n Curation aspects of available data\n \n
\n\n \n {evalCurTitle(curation)}\n \n
\n\n { scoreTxt }\n
\n \n .\n 1H\n 13C\n MS\n IR\n UV\n X-ray\n Rf\n
\n);\n\nconst statusLabel = status => status ? \n Data Evaluation\n { statusLabel(ansHnmr.qcp.ansMac && ansHnmr.qcp.ansOwn) }\n { statusLabel(ansCnmr.qcp.ansMac && ansCnmr.qcp.ansOwn) }\n { statusLabel(ansMs.qcp.matchMass) }\n { statusLabel(ansIr.qcp.ansMac80 && ansIr.qcp.ansOwn80 && ansIr.qcp.ansMacF90 && ansIr.qcp.ansOwnF90) }\n
\n);\n\nLineQcp.propTypes = {\n ansHnmr: PropTypes.object.isRequired,\n ansCnmr: PropTypes.object.isRequired,\n ansMs: PropTypes.object.isRequired,\n ansIr: PropTypes.object.isRequired,\n};\n\nconst LineQck = ({ ansHnmr, ansCnmr, ansMs }) => (\n \n Analysis Check\n { statusLabel(ansHnmr.qck.ansQck) }\n { statusLabel(ansCnmr.qck.ansQck) }\n { statusLabel(ansMs.qck.ansQck) }\n
\n);\n\nLineQck.propTypes = {\n ansHnmr: PropTypes.object.isRequired,\n ansCnmr: PropTypes.object.isRequired,\n ansMs: PropTypes.object.isRequired,\n};\n\nconst LineDav = ({\n ansHnmr, ansCnmr, ansMs, ansIr,\n}) => (\n \n Data Availability\n { statusLabel(ansHnmr.dav) }\n { statusLabel(ansCnmr.dav) }\n { statusLabel(ansMs.dav) }\n { statusLabel(ansIr.dav) }\n
\n);\n\nLineDav.propTypes = {\n ansHnmr: PropTypes.object.isRequired,\n ansCnmr: PropTypes.object.isRequired,\n ansMs: PropTypes.object.isRequired,\n ansIr: PropTypes.object.isRequired,\n};\n\nexport { LineTitle, LineQcp, LineQck, LineDav };\n","import React from 'react';\nimport PropTypes from 'prop-types';\n\nimport LineScore from './LineScore';\nimport {\n LineTitle,\n LineQcp,\n LineQck,\n LineDav,\n} from './LineSummary';\nimport { evalScore } from './eval';\n\nconst AreaSummary = ({\n ansHnmr, ansCnmr, ansMs, ansIr, curation,\n}) => {\n const score = evalScore(ansHnmr, ansCnmr, ansMs, ansIr, curation);\n return (\n \n
\n );\n};\n\nAreaSummary.propTypes = {\n ansHnmr: PropTypes.object.isRequired,\n ansCnmr: PropTypes.object.isRequired,\n ansMs: PropTypes.object.isRequired,\n ansIr: PropTypes.object.isRequired,\n curation: PropTypes.number.isRequired,\n};\n\nexport default AreaSummary;\n","import React from 'react';\nimport { Tooltip, OverlayTrigger } from 'react-bootstrap';\n\nconst infoTp = (\n \n
\n \n
\n ChemSpectra (0.10)
\nNMRShiftDB (2.0)
\nChemSpectraDeepIr (0.10)
\n\n \n Information \n
\n
\n);\n\nexport default BlockTitle;\n","import React from 'react';\nimport PropTypes from 'prop-types';\nimport SvgFileZoomPan from 'react-svg-file-zoom-pan-latest';\n\nconst QcMolView = ({ svg }) => {\n if (!svg) return null;\n return (\n \n \n Analysis of digital research data for plausibility and Quality Control - QC\n \n
\n\n Information \n \n \n \n
\n \n Analysis\n
\n\n
\n );\n};\n\nQcMolView.propTypes = {\n svg: PropTypes.oneOfType([\n PropTypes.string,\n PropTypes.bool,\n ]),\n};\n\nQcMolView.defaultProps = {\n svg: false,\n};\n\nexport default QcMolView;\n","import React from 'react';\nimport { Label, Tooltip, OverlayTrigger } from 'react-bootstrap';\n\nconst iconTp = margin => (\n | Atom | \nPrediction (ppm) | \nReal (ppm) | \nDiff (ppm) | \nMachine | \nOwner | \n
|---|---|---|---|---|---|
| { s.atom } | \n{ numFormat(s.prediction) } | \n{ realFormat(s.real, s.status) } | \n{ realFormat(s.diff, s.status) } | \n{ iconStatus(s.status) } | \n{ iconStatus(s.statusOwner) } | \n
\n
\n);\n\nconst BlockHnmr = ({ ansHnmr }) => {\n if (!ansHnmr.exist) return emptyBlock();\n const { qck, qcp } = ansHnmr;\n const {\n shifts,\n svg,\n desc,\n sigSent,\n sigReal,\n numAll,\n numAcpMac,\n numAcpOwn,\n ansMac,\n ansOwn,\n } = qcp;\n const {\n countExpAtoms,\n countIdnAtoms,\n ansQck,\n } = qck;\n\n return (\n \n 1. Analysis of the provided digital NMR spectroscopy data: 1H NMR:\n
\n\n \n No Information. Please upload spectrum & make predictions in Spectra Editor.\n \n
\n \n \n \n \n 1H NMR Prediction Detail\n \n \n \n \n \n \n \n
\n \n );\n};\n\nBlockHnmr.propTypes = {\n ansHnmr: PropTypes.object.isRequired,\n};\n\nexport default BlockHnmr;\n","import React from 'react';\nimport PropTypes from 'prop-types';\nimport { Panel, Alert } from 'react-bootstrap';\n\nimport QuillViewer from '../../../QuillViewer';\nimport QcMolView from '../helper/qc_mol_view';\nimport { iconByMargin } from '../helper/icon';\nimport {\n tableNmr,\n formatQV,\n} from '../helper/nmr';\n\nconst emptyBlock = () => (\n \n 1. Analysis of the provided digital NMR spectroscopy data: 1H NMR:\n
\n\n \n
\n \n \n Expected protons: {countExpAtoms}.\n Identified protons: {countIdnAtoms}.\n \n { iconByMargin(ansQck, 0) }\n
\n \n \n Signals detected: { sigSent }\n \n
\n \n \n Signals detected (NMRShiftDB): { sigReal }\n \n
\n \n \n Correctly assigned (machine):\n ({numAcpMac}/{numAll})\n { iconByMargin(ansMac, 1) }\n \n
\n \n \n Correctly assigned (owner):\n ({numAcpOwn}/{numAll})\n { iconByMargin(ansOwn, 0) }\n \n
\n \n
\n);\n\nconst BlockCnmr = ({ ansCnmr }) => {\n if (!ansCnmr.exist) return emptyBlock();\n const { qck, qcp } = ansCnmr;\n const {\n shifts,\n svg,\n desc,\n sigSent,\n sigReal,\n numAll,\n numAcpMac,\n numAcpOwn,\n ansMac,\n ansOwn,\n } = qcp;\n const {\n countExpAtoms,\n countIdnAtoms,\n ansQck,\n } = qck;\n\n return (\n \n 2 Analysis of the provided digital NMR spectroscopy data: 13C NMR:\n
\n\n \n No Information. Please upload spectrum & make predictions in Spectra Editor.\n \n
\n \n \n \n \n 13C NMR Prediction Detail\n \n \n \n \n \n \n \n
\n \n );\n};\n\nBlockCnmr.propTypes = {\n ansCnmr: PropTypes.object.isRequired,\n};\n\nexport default BlockCnmr;\n","import React from 'react';\nimport PropTypes from 'prop-types';\nimport { Alert } from 'react-bootstrap';\n\nimport { iconMs } from '../helper/icon';\n\nconst emptyBlock = () => (\n \n 2 Analysis of the provided digital NMR spectroscopy data: 13C NMR:\n
\n\n \n
\n \n \n Expected carbons: {countExpAtoms}.\n Identified carbons: {countIdnAtoms}.\n \n { iconByMargin(ansQck, 0) }\n
\n \n \n Signals detected: { sigSent }\n \n
\n \n \n Signals detected (NMRShiftDB): { sigReal }\n \n
\n \n \n Correctly assigned (machine):\n ({numAcpMac}/{numAll})\n { iconByMargin(ansMac, 1) }\n \n
\n \n \n Correctly assigned (owner):\n ({numAcpOwn}/{numAll})\n { iconByMargin(ansOwn, 0) }\n \n
\n \n
\n);\n\nconst BlockMS = ({ ansMs }) => {\n if (!ansMs.exist) return emptyBlock();\n const { qcp, conclusion } = ansMs;\n const {\n emMass,\n scan,\n desc,\n } = qcp;\n\n return (\n \n 3 Analysis of the provided digital mass spectrometry data:\n
\n\n \n No Information. Please upload spectra to Spectra Editor.\n \n
\n \n
\n );\n};\n\nBlockMS.propTypes = {\n ansMs: PropTypes.object.isRequired,\n};\n\nexport default BlockMS;\n","import React from 'react';\nimport { Table } from 'react-bootstrap';\n\nimport { iconStatus } from './icon';\n\nconst colorStyles = [\n { backgroundColor: '#FFFF00' },\n { backgroundColor: '#87CEFA' },\n { backgroundColor: '#FFB6C1' },\n { backgroundColor: '#00FF00' },\n { backgroundColor: '#E6E6FA' },\n { backgroundColor: '#FFD700' },\n { backgroundColor: '#F0FFFF' },\n { backgroundColor: '#F5F5DC' },\n];\n\nconst colorLabel = (idx) => {\n const style = Object.assign(\n {},\n colorStyles[idx % 8],\n { width: 20, borderRadius: 20, textAlign: 'center' },\n );\n\n return (\n \n 3 Analysis of the provided digital mass spectrometry data:\n
\n\n
\n \n Identified Mass peaks (m/z) = \n { desc }\n
\n \n Selected scan: { scan }.\n
\n \n Exact molecular mass = \n { emMass }\n
\n \n Conclusion: \n { iconMs(conclusion) }\n
\n | # | \nSMARTS | \nMachine Confidence | \nMachine | \nOwner | \n
|---|---|---|---|---|
| { colorLabel(idx)} | \n{ fg.sma } | \n{ fg.confidence } % | \n{ iconStatus(fg.status) } | \n{ iconStatus(fg.statusOwner) } | \n
\n
\n);\n\nconst BlockIr = ({ ansIr }) => {\n if (!ansIr.exist) return emptyBlock();\n const { qcp } = ansIr;\n const {\n fgs, svg, numFg, numFg80, numFg90,\n posMac80, posOwn80, posMac90, posOwn90,\n negMac90, negOwn90,\n numMac, numOwn,\n ansMac80, ansOwn80, ansMacF90, ansOwnF90,\n } = qcp;\n\n return (\n \n 4 Analysis of the provided digital IR data:\n
\n\n \n No Information. Please upload spectra to Spectra Editor.\n \n
\n \n
\n );\n};\n\nBlockIr.propTypes = {\n ansIr: PropTypes.object.isRequired,\n};\n\nexport default BlockIr;\n","import React from 'react';\n\nconst BlockEa = () => (\n \n 4 Analysis of the provided digital IR data:\n
\n\n \n \n \n IR Prediction Detail\n \n \n \n \n \n \n \n
\n \n Amount of functional groups given: { numFg }\n
\n \n \n Amount of functional groups that were part of the routine and\n accurracy >80%: { numFg80 + numFg90 }\n \n
\n \n Output true machine (>80%): \n { `${(posMac80 + posMac90)}/${(numMac)}` }\n { iconByMargin(ansMac80, 1) }\n
\n \n Output true owner (>80%): \n { `${(posOwn80 + posOwn90)}/${(numOwn)}` }\n { iconByMargin(ansOwn80, 1) }\n
\n \n Output false machine (>90%): \n { `${(negMac90)}/${(posMac90 + negMac90)}` }\n { iconByMargin(ansMacF90, 0) }\n
\n \n Output false owner (> 90%): \n { `${(negOwn90)}/${(posOwn90 + negOwn90)}` }\n { iconByMargin(ansOwnF90, 0) }\n
\n \n
\n
\n);\n\nexport default BlockEa;\n","import React from 'react';\nimport PropTypes from 'prop-types';\nimport { Label } from 'react-bootstrap';\n\nimport { iconByBool } from '../helper/icon';\n\nconst iconNmr = (ansNmr) => {\n const { conclusion, conclusionOwn } = ansNmr;\n if (!conclusion && conclusionOwn) {\n return (\n \n );\n }\n return iconByBool(conclusion);\n};\n\nconst iconIr = (ansIr) => {\n const { conclusion, conclusionOwn } = ansIr;\n if (!conclusion && conclusionOwn) {\n return (\n \n );\n }\n return iconByBool(conclusion);\n};\n\nconst BlockConclusion = ({\n ansHnmr, ansCnmr, ansMs, ansIr,\n}) => (\n \n 5 Analysis of the provided EA analysis:\n
\n\n
\n TBD
\n\n
\n
\n
\n);\n\nBlockConclusion.propTypes = {\n ansHnmr: PropTypes.object.isRequired,\n ansCnmr: PropTypes.object.isRequired,\n ansMs: PropTypes.object.isRequired,\n ansIr: PropTypes.object.isRequired,\n};\n\nexport default BlockConclusion;\n","const extractInfer = (ai, files) => {\n let targetPred = false;\n let targetTyp = false;\n let hasInfer = false;\n let hasFiles = false;\n let hasValidFiles = false;\n const valids = ['json', 'peaked', 'edited'];\n ai.children.forEach((dt) => {\n hasFiles = dt.attachments.length > 0;\n dt.attachments.forEach((att) => {\n if (valids.indexOf(att.aasm_state) > -1) hasValidFiles = true;\n if (att.aasm_state !== 'json') return;\n if (!files) return;\n const pred = files\n .map(f => (f.id === att.id ? f : null))\n .filter(r => r != null)[0];\n if (!pred || pred.predictions.outline.code >= 300) return;\n targetTyp = pred.predictions.output.result[0] &&\n pred.predictions.output.result[0].type;\n targetPred = pred.predictions;\n hasInfer = true;\n });\n });\n return {\n pred: targetPred, type: targetTyp, hasInfer, hasFiles, hasValidFiles,\n };\n};\n\nconst buildQcs = (sample, infer) => {\n const { files } = infer.result;\n let irQc = {};\n let msQc = {};\n let hnmrQc = {};\n let cnmrQc = {};\n sample.container.children[0].children.forEach((ai) => {\n const { content, kind } = ai.extended_metadata;\n const { ops } = content;\n const inferO = extractInfer(ai, files);\n const { type } = inferO;\n if ((!type || type === 'ms') && (kind && kind.includes('(MS)'))) {\n msQc = Object.assign({}, msQc, inferO, { ops, exist: true, type: 'Mass' });\n } else if ((!type || type === 'nmr;13C;1d') && (kind && kind.includes('13C NMR'))) {\n cnmrQc = Object.assign({}, cnmrQc, inferO, { ops, exist: true, type: '13C NMR' });\n } else if ((!type || type === 'nmr;1H;1d') && (kind && kind.includes('1H NMR'))) {\n hnmrQc = Object.assign({}, hnmrQc, inferO, { ops, exist: true, type: '1H NMR' });\n } else if ((!type || type === 'ir') && (kind && kind.includes('(IR)'))) {\n irQc = Object.assign({}, irQc, inferO, { ops, exist: true, type: 'IR' });\n }\n });\n return {\n irQc, msQc, hnmrQc, cnmrQc,\n };\n};\n\nconst prismQcs = (sample, infer) => {\n const qcs = buildQcs(sample, infer);\n return qcs;\n};\n\nexport { prismQcs }; // eslint-disable-line\n","import { FN } from '@complat/react-spectra-editor';\n\nimport { makeDav } from './common';\nimport { contentToText } from '../../utils/quillFormat';\nimport { emwInStr } from '../../utils/ElementUtils';\n\nconst emm = s => s.molecule_exact_molecular_weight.toFixed(2);\n\nconst isMatchMass = (xs, emMass) => {\n const emw = parseFloat(emMass, 10);\n const margin = 1.0;\n let result = false;\n\n xs.forEach((x) => {\n if (Math.abs(x - (emw + 0.0)) <= margin) { result = true; }\n if (Math.abs(x - (emw + 1.0)) <= margin) { result = true; } // eslint-disable-line\n if (Math.abs(x - (emw + 23.0)) <= margin) { result = true; } // eslint-disable-line\n if (Math.abs(x - (emw + 39.0)) <= margin) { result = true; } // eslint-disable-line\n });\n\n return result;\n};\n\nconst getDesc = (xs, ys) => {\n const maxY = Math.max(...ys);\n const peaks = xs.map((x, idx) => ({ x, y: ys[idx] }));\n const signal = FN.formatedMS(peaks, maxY);\n return signal;\n};\n\nconst makeQck = (ops, sample) => {\n if (!ops) return {};\n const emw = parseFloat(emm(sample), 10);\n const opStr = contentToText({ ops });\n const ansQck = emwInStr(emw, opStr);\n return { ansQck };\n};\n\nconst makeQcp = (pred, sample) => {\n if (!pred || !pred.output || !pred.output.result || !pred.output.result[0]) {\n return {};\n }\n\n const { scan, xs, ys } = pred.output.result[0];\n\n const emMass = emm(sample);\n const matchMass = isMatchMass(xs, emMass);\n const desc = getDesc(xs, ys); // TBD\n return {\n matchMass, emMass, scan, desc,\n };\n};\n\nconst evaluateMs = (msQc, sample) => {\n const {\n exist, hasFiles, hasValidFiles, ops, pred,\n } = msQc;\n\n const dav = makeDav(hasFiles, hasValidFiles);\n const qck = makeQck(ops, sample);\n const qcp = makeQcp(pred, sample);\n const { matchMass } = qcp;\n const conclusion = matchMass;\n const conclusionOwn = matchMass;\n\n return {\n exist, dav, qck, qcp, conclusion, conclusionOwn,\n };\n};\n\nexport { evaluateMs } // eslint-disable-line\n","import { numFormat, makeDav } from './common';\n\nimport { contentToText } from '../../utils/quillFormat';\nimport {\n atomCountInFormula,\n atomCountInNMRDescription,\n atomCountCInNMRDescription,\n} from '../../utils/ElementUtils';\n\nconst countSignal = (shifts) => {\n const numAll = shifts.length;\n let numAcpMac = 0;\n let numWarMac = 0;\n let numRjtMac = 0;\n let numMisMac = 0;\n let numAcpOwn = 0;\n shifts.forEach((s) => {\n if (s.status === 'accept') {\n numAcpMac += 1;\n } else if (s.status === 'warning') {\n numWarMac += 1;\n } else if (s.status === 'reject') {\n numRjtMac += 1;\n } else if (s.status === 'missing') {\n numMisMac += 1;\n }\n const ownAccept = (s.statusOwner && s.statusOwner === 'accept') ||\n (!s.statusOwner && s.status === 'accept');\n if (ownAccept) {\n numAcpOwn += 1;\n }\n });\n return {\n numAll, numAcpMac, numWarMac, numRjtMac, numMisMac, numAcpOwn,\n };\n};\n\nconst extractSignal = (shifts) => {\n const reals = shifts.map(s => s.real)\n .filter(r => (r != null && r !== 0)).sort((a, b) => a - b);\n const sents = Array.from(new Set(reals)).sort((a, b) => a - b);\n\n const sigSent = sents.map(s => numFormat(s)).join(', ');\n const sigReal = reals.map(r => numFormat(r)).join(', ');\n\n return {\n sigSent, sigReal,\n };\n};\n\nconst makeQck = (sumFormula, ops, type) => {\n if (!ops) return {};\n const is1H = type === '1H NMR';\n const countExpAtoms = is1H\n ? atomCountInFormula(sumFormula, 'H')\n : atomCountInFormula(sumFormula, 'C');\n const opStr = contentToText({ ops });\n const countIdnAtoms = is1H\n ? atomCountInNMRDescription(opStr)\n : atomCountCInNMRDescription(opStr);\n const ansQck = (countExpAtoms - countIdnAtoms) === 0;\n return { countExpAtoms, countIdnAtoms, ansQck };\n};\n\nconst makeQcp = (pred, ops = []) => {\n const desc = [{ insert: 'According to user: ' }, ...ops];\n if (!pred || !pred.output || !pred.output.result || !pred.output.result[0]) {\n return { desc };\n }\n const { shifts, svgs } = pred.output.result[0];\n const svg = svgs ? svgs[0] : false;\n const {\n sigSent, sigReal,\n } = extractSignal(shifts);\n const {\n numAll, numAcpMac, numAcpOwn,\n } = countSignal(shifts);\n const ansMac = numAll - numAcpMac <= 1;\n const ansOwn = numAll - numAcpOwn <= 0;\n return {\n shifts,\n svg,\n desc,\n sigSent,\n sigReal,\n numAll,\n numAcpMac,\n numAcpOwn,\n ansMac,\n ansOwn,\n };\n};\n\nconst evaluateNmr = (nmrQc, sumFormula) => {\n const {\n exist, hasFiles, hasValidFiles, ops, type, pred,\n } = nmrQc;\n\n const dav = makeDav(hasFiles, hasValidFiles);\n const qck = makeQck(sumFormula, ops, type);\n const qcp = makeQcp(pred, ops);\n const { ansQck } = qck;\n const { ansMac, ansOwn } = qcp;\n const conclusion = ansMac && ansOwn && ansQck;\n const conclusionOwn = ansOwn && ansQck;\n\n return {\n exist, dav, qck, qcp, conclusion, conclusionOwn,\n };\n};\n\nexport { evaluateNmr } // eslint-disable-line\n","import React from 'react';\nimport PropTypes from 'prop-types';\n\nimport AreaTitle from './summary/AreaTitle';\nimport AreaSummary from './summary/AreaSummary';\n\nimport BlockTitle from './substance/BlockTitle';\nimport BlockHnmr from './substance/BlockHnmr';\nimport BlockCnmr from './substance/BlockCnmr';\nimport BlockMS from './substance/BlockMS';\nimport BlockIr from './substance/BlockIr';\nimport BlockEa from './substance/BlockEa';\nimport BlockConclusion from './substance/BlockConclusion';\n\nimport { prismQcs } from '../utils/qcs';\nimport { evaluateMs } from '../utils/ms';\nimport { evaluateIr } from '../utils/ir';\nimport { evaluateNmr } from '../utils/nmr';\n\nconst QcContent = ({ sample, infer, curation }) => {\n const {\n irQc, msQc, hnmrQc, cnmrQc,\n } = prismQcs(sample, infer);\n const sumFormula = sample.molecule_formula;\n\n const ansHnmr = evaluateNmr(hnmrQc, sumFormula);\n const ansCnmr = evaluateNmr(cnmrQc, sumFormula);\n const ansMs = evaluateMs(msQc, sample);\n const ansIr = evaluateIr(irQc);\n\n return (\n \n Conclusion of the automated analysis check:\n
\n\n
\n \n 1H NMR\n { iconNmr(ansHnmr) }\n
\n\n 13C NMR\n { iconNmr(ansCnmr) }\n
\n\n MS\n { iconByBool(ansMs.conclusion) }\n
\n\n IR\n { iconIr(ansIr) }\n
\n\n
\n
\n
\n
\n );\n};\n\nQcContent.propTypes = {\n sample: PropTypes.object.isRequired,\n infer: PropTypes.object.isRequired,\n curation: PropTypes.number.isRequired,\n};\n\nexport default QcContent;\n","import { makeDav } from './common';\n\nconst makeQck = () => ({});\n\nconst makeQcp = (pred) => {\n if (!pred || !pred.output || !pred.output.result || !pred.output.result[0]) {\n return {};\n }\n\n const { fgs, svgs } = pred.output.result[0];\n const svg = svgs ? svgs[0] : false;\n let numFg = 0;\n let numFg80 = 0;\n let numFg90 = 0;\n let posMac80 = 0;\n let posOwn80 = 0;\n let posMac90 = 0;\n let posOwn90 = 0;\n let negMac80 = 0;\n let negOwn80 = 0;\n let negMac90 = 0;\n let negOwn90 = 0;\n fgs.forEach((fg) => {\n numFg += 1;\n if (fg.confidence >= 90.0) {\n numFg90 += 1;\n fg.status === 'accept' ? posMac90 += 1 : negMac90 += 1; // eslint-disable-line\n const ownAccept = (fg.statusOwner && fg.statusOwner === 'accept') ||\n (!fg.statusOwner && fg.status === 'accept');\n ownAccept ? posOwn90 += 1 : negOwn90 += 1; // eslint-disable-line\n } else if (fg.confidence >= 80.0) {\n numFg80 += 1;\n fg.status === 'accept' ? posMac80 += 1 : negMac80 += 1; // eslint-disable-line\n const ownAccept = (fg.statusOwner && fg.statusOwner === 'accept') ||\n (!fg.statusOwner && fg.status === 'accept');\n ownAccept ? posOwn80 += 1 : negOwn80 += 1; // eslint-disable-line\n }\n });\n\n const numMac = posMac80 + posMac90 + negMac80 + negMac90;\n const numOwn = posOwn80 + posOwn90 + negOwn80 + negOwn90;\n const ansMac80 = numMac - posMac80 - posMac90 <= 1;\n const ansOwn80 = numOwn - posOwn80 - posOwn90 <= 1;\n const ansMacF90 = negMac90 - 0 <= 0;\n const ansOwnF90 = negOwn90 - 0 <= 0;\n return {\n fgs,\n svg,\n numFg,\n numFg80,\n numFg90,\n numMac,\n numOwn,\n ansMac80,\n ansOwn80,\n ansMacF90,\n ansOwnF90,\n posMac80,\n posOwn80,\n posMac90,\n posOwn90,\n negMac80,\n negOwn80,\n negMac90,\n negOwn90,\n };\n};\n\nconst evaluateIr = (irQc) => {\n const {\n exist, hasFiles, hasValidFiles, pred,\n } = irQc;\n\n const dav = makeDav(hasFiles, hasValidFiles);\n const qck = makeQck();\n const qcp = makeQcp(pred);\n const {\n ansMac80, ansOwn80, ansMacF90, ansOwnF90,\n } = qcp;\n const conclusion = ansMac80 && ansOwn80 && ansMacF90 && ansOwnF90;\n const conclusionOwn = ansOwn80 && ansOwnF90;\n\n return {\n exist, dav, qck, qcp, conclusion, conclusionOwn,\n };\n};\n\nexport { evaluateIr } // eslint-disable-line\n","import React, { Component } from 'react';\nimport PropTypes from 'prop-types';\nimport { Button } from 'react-bootstrap';\n\nimport QcContent from './components/QcContent';\nimport QcActions from '../actions/QcActions';\nimport QcStore from '../stores/QcStore';\nimport UserStore from '../stores/UserStore';\n\nclass QcMain extends Component {\n constructor(props) {\n super(props);\n\n this.state = {\n ...QcStore.getState(),\n profile: UserStore.getState().profile,\n };\n\n this.onChange = this.onChange.bind(this);\n this.renderQcBtn = this.renderQcBtn.bind(this);\n this.renderQcContent = this.renderQcContent.bind(this);\n }\n\n componentDidMount() {\n QcStore.listen(this.onChange);\n }\n\n componentWillUnmount() {\n QcStore.unlisten(this.onChange);\n }\n\n onChange(state) {\n this.setState({ ...state });\n }\n\n renderQcBtn() {\n const { loading } = this.state;\n const { sample } = this.props;\n const handleOnClick = () => {\n QcActions.setLoading();\n QcActions.loadInfers.defer({ sample });\n };\n let iconClsName = 'fa fa-cog fa-1x';\n if (loading) iconClsName += ' fa-spin fa-fw';\n const bsStyle = loading ? 'warning' : 'primary';\n\n return (\n \n
\n \n
\n
\n
\n \n { this.renderQcBtn() }\n { this.renderQcContent() }\n
\n );\n }\n}\n\nQcMain.propTypes = {\n sample: PropTypes.object.isRequired,\n};\n\nexport default QcMain;\n","import React, { Component } from 'react';\nimport { Button, ButtonGroup, Tooltip, Overlay, OverlayTrigger } from 'react-bootstrap';\nimport PropTypes from 'prop-types';\n\nimport DetailActions from '.././actions/DetailActions';\n\nexport default class ConfirmClose extends Component {\n constructor(props) {\n super(props);\n this.state = {\n showTooltip: false,\n };\n\n this.onClickButton = this.onClickButton.bind(this);\n this.getTargetButton = this.getTargetButton.bind(this);\n }\n\n onClickButton(el) {\n this.setState(\n prevState => ({ ...prevState, showTooltip: !prevState.showTooltip }),\n () => DetailActions.close(el, this.props.forceClose)\n );\n }\n\n getTargetButton() {\n return this.target;\n }\n\n render() {\n const { el } = this.props;\n const popover = (\n Close {el.type}?
\n
\n View directly on \n \n ![\"\"](\"/images/nmrdb_logo.jpg\")
\n \n
\n );\n};\n\nconst LinkToNmrdb = () => (\n \n \n \n Powered by \n
\n
\n);\n\nexport { ViewAtNmrdb, LinkToNmrdb };\n\nViewAtNmrdb.propTypes = {\n is13C: PropTypes.bool,\n smile: PropTypes.string,\n};\n","import React from 'react';\nimport { Button, ButtonToolbar, ListGroup, ListGroupItem } from 'react-bootstrap';\nimport PropTypes from 'prop-types';\n\nimport NmrSimActions from '../actions/NmrSimActions';\nimport NmrSimStore from '../stores/NmrSimStore';\nimport LineChartWrapper from './LineChartWrapper';\nimport { ViewAtNmrdb, LinkToNmrdb } from './NmrdbReference';\n\nexport default class NmrSimTab extends React.Component {\n constructor(props) {\n super(props);\n this.state = {\n nmrSpectrum: { data13C: [], data1H: [] },\n nmrType: '13C',\n synced: false,\n };\n this.onChange = this.onChange.bind(this);\n }\n\n componentDidMount() {\n NmrSimStore.listen(this.onChange);\n }\n\n // eslint-disable-next-line camelcase\n UNSAFE_componentWillReceiveProps(nextProps) {\n const sample = this.props.sample;\n if (sample.molecule.id !== nextProps.sample.molecule.id) {\n NmrSimActions.resetNMR.defer();\n }\n }\n\n componentWillUnmount() {\n NmrSimStore.unlisten(this.onChange);\n }\n\n onChange(state) {\n this.setState({\n nmrSpectrum: state.currentNmr,\n nmrType: state.currentType,\n synced: state.synced,\n });\n }\n\n updateNmrdb(type) {\n const sample = this.props.sample;\n const spectrum = this.state.nmrSpectrum;\n const needToFetch = spectrum.data13C.length + spectrum.data1H.length === 0;\n NmrSimActions.updateNmrdb(type, needToFetch, sample.molecule.id);\n }\n\n showChartNmrdb(spectrum) {\n const synced = this.state.synced;\n const is13C = this.state.nmrType === '13C';\n const data = is13C ? spectrum.data13C : spectrum.data1H;\n return (\n synced ? this.chartOrWarning(data) : null\n );\n }\n\n chartOrWarning(data) {\n return (\n data.length !== 0\n ? \n \n
References
\nBanfi, D.; Patiny, L. www.nmrdb.org: Resurrecting and processing NMR spectra on-line Chimia, 2008, 62(4), 280-281.
\nAndrés M. Castillo, Luc Patiny and Julien Wist. Fast and Accurate Algorithm for the Simulation of NMR spectra of Large Spin Systems. J of Magnetic Resonance 2011.
\nAires-de-Sousa, M. Hemmer, J. Gasteiger, Prediction of 1H NMR Chemical Shifts Using Neural Networks, Analytical Chemistry, 2002, 74(1), 80-90.
\nSteinbeck, Christoph, Stefan Krause, and Stefan Kuhn, NMRShiftDB Constructing a Free Chemical Information System with Open-Source Components, J of chemical information and computer sciences, 2003, 43(6): 1733-1739.
\n\n
\n\n \n Sorry, the {type} simulation is not available now. Please check directly on\n \n \n \n \n \n
\n );\n }\n\n render() {\n const sample = this.props.sample;\n const spectrum = this.state.nmrSpectrum;\n const type = this.state.nmrType;\n const smile = sample.molecule_cano_smiles || 'c1ccccc1CC';\n\n return (\n \n
\n \n \n \n \n \n \n\n {this.showChartNmrdb(spectrum)}\n\n
\n\n \n
\n );\n }\n\n}\n\nNmrSimTab.propTypes = {\n sample: PropTypes.object,\n};\n","/* eslint-disable react/forbid-prop-types */\nimport React, { useRef } from 'react';\nimport { InputGroup, OverlayTrigger, FormGroup, SplitButton, Tooltip, MenuItem } from 'react-bootstrap';\nimport PropTypes from 'prop-types';\nimport uuid from 'uuid';\nimport NotificationActions from './actions/NotificationActions';\nimport BaseFetcher from './fetchers/BaseFetcher';\nimport LoadingActions from './actions/LoadingActions';\n\nconst apiCall = (cas, src = 'cas') => (src === 'cas' ? `https://commonchemistry.cas.org/api/detail?cas_rn=${cas}` : `https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/name/${cas}/property/CanonicalSMILES/JSON`);\n\nconst FastInput = (props) => {\n const inputCas = useRef('');\n const notify = (_params) => {\n NotificationActions.add({\n title: _params.title,\n message: _params.msg,\n level: _params.lvl,\n position: 'tc',\n dismissible: 'button',\n autoDismiss: 5,\n uid: uuid.v4()\n });\n };\n\n const searchSmile = () => {\n LoadingActions.start();\n props.fnHandle(inputCas.current.value);\n };\n\n const search = () => {\n let params = {\n apiEndpoint: apiCall(inputCas.current.value),\n requestMethod: 'get',\n jsonTranformation: json => json\n };\n LoadingActions.start();\n BaseFetcher.withoutBodyData(params).then((cjson) => {\n if (cjson.message) {\n params = {\n apiEndpoint: apiCall(inputCas.current.value, 'pubchem'),\n requestMethod: 'get',\n jsonTranformation: json => json\n };\n BaseFetcher.withoutBodyData(params).then((pjson) => {\n if (pjson.Fault) {\n notify({ title: 'CAS Error', lvl: 'error', msg: pjson.Fault.Code });\n } else {\n props.fnHandle(pjson.PropertyTable.Properties[0].CanonicalSMILES);\n }\n }).catch((err) => {\n notify({ title: 'CAS Error', lvl: 'error', msg: err });\n });\n } else {\n props.fnHandle(cjson.smile);\n }\n }).catch((err) => {\n notify({ title: 'CAS Error', lvl: 'error', msg: err });\n }).finally(() => {\n LoadingActions.stop();\n inputCas.current.value = '';\n });\n };\n\n const sbTitle = (\n \n Fast create by\n \n \n );\n\n return (\n \n
\n
\n \n );\n\n return (\n SciFinder-n Search for
\n\n {renderButtons()}\n
\n \n
\n \n );\n return (\n Tabs Layout
\n\n { this.layout = n; }}\n />\n
\n \n
\n {klass.label}
{klass.label}
{layersLayout}
);\n }\n\n render() {\n const { segment, klass } = this.props;\n const hisBtn = segment.is_new ? null : (\n \n \n {reloadBtn}\n {hisBtn}\n \n \n \n {this.elementalPropertiesItem(segment)}\n \n \n {hisModal}\n
\n );\n }\n}\n\nSegmentDetails.propTypes = {\n segment: PropTypes.object,\n klass: PropTypes.object,\n onChange: PropTypes.func.isRequired,\n};\n\nSegmentDetails.defaultProps = {\n segment: {},\n klass: {}\n};\n\nexport { SegmentDetails, SegmentTabs, addSegmentTabs };\n","import Element from './Element';\n\nexport default class Measurement extends Element {\n constructor(args) {\n super({\n description: args.description,\n errors: args.errors ?? [],\n id: args.id, // currently not implemented but added for future usage when we actually display measurements\n sample_identifier: args.sample_identifier,\n unit: args.unit,\n uuid: args.uuid,\n value: args.value\n });\n }\n}\n","import 'whatwg-fetch';\nimport Measurement from '../models/Measurement';\n\nexport default class MeasurementsFetcher {\n static fetchMeasurementHierarchy(sample) {\n // No measurement fetching for new samples\n if (sample.is_new == true) {\n return new Promise(() => []);\n }\n\n const promise = fetch(`/api/v1/measurements/?sample_id=${sample.id}`, {\n credentials: 'same-origin',\n method: 'GET',\n headers: {\n Accept: 'application/json',\n 'Content-Type': 'application/json'\n }\n }).then(\n response => response.json()\n ).then(\n json => json.measurements\n ).catch(\n errorMessage => { console.log(errorMessage); }\n );\n\n return promise;\n }\n\n static createMeasurements(measurementCandidates, researchPlanId) {\n const measurements = measurementCandidates.map(candidate => new Measurement(candidate));\n\n return fetch('/api/v1/measurements/bulk_create_from_raw_data', {\n credentials: 'same-origin',\n method: 'POST',\n headers: {\n Accept: 'application/json',\n 'Content-Type': 'application/json'\n },\n body: JSON.stringify({\n raw_data: measurements,\n source_type: 'ResearchPlan',\n source_id: researchPlanId\n })\n }).then(response => response.json())\n .then(json => json.bulk_create_from_raw_data)\n .catch((errorMessage) => { console.log(errorMessage); });\n }\n\n static deleteMeasurement(measurementId) {\n return fetch(`/api/v1/measurements/${measurementId}`, {\n credentials: 'same-origin',\n method: 'DELETE',\n headers: {\n Accept: 'application/json',\n 'Content-Type': 'application/json'\n }\n }).then(response => response.json())\n .catch(errorMessage => console.log(errorMessage));\n }\n}\n","import Aviator from 'aviator';\nimport { researchPlanShowOrNew } from './routesUtils';\nimport React, { Component } from 'react';\nimport PropTypes from 'prop-types';\n\nexport default class MeasurementsTable extends Component {\n constructor(props) {\n super(props);\n };\n\n // currently only research plan is supported as source\n navigateToSource(measurement) {\n const { params, uri } = Aviator.getCurrentRequest();\n Aviator.navigate(`${uri}/${measurement.source_type}/${measurement.source_id}`, { silent: true });\n if (measurement.source_type == 'research_plan') {\n researchPlanShowOrNew({ params: { research_planID: measurement.source_id } });\n }\n }\n\n // Column Layout:\n // - Sample Name/Identifier\n // - 1 Column per unique description\n //\n // NOTE: No action column for deletion, as we aggregate multiple measurements within one row\n // Use list view for deleting individual measurements\n\n rows() {\n const rows = [];\n return this.props.samplesWithMeasurements.map(sample => {\n const columnsForRow = [this._sampleOutput(sample)];\n\n this._uniqueDescriptions().forEach((description, index) => {\n const measurements = this._measurementsWithDescription(sample.measurements, description);\n\n const descriptionColumn = (\n - \n {measurements}\n
| \n {descriptionColumns}\n |
{this.props.confirmationText}
\n\n \n \n
\n
\n );\n }\n\n render() {\n const entries = this.props.samplesWithMeasurements.map(entry => this.renderEntry(entry));\n return (\n \n {entry.short_label} {entry.name}\n
\n| Measurement | \nActions | \n
|---|
\n {entries}\n
\n );\n }\n}\nMeasurementsList.propTypes = {\n onDelete: PropTypes.func.isRequired,\n samplesWithMeasurements: PropTypes.array.isRequired\n};\n","import MeasurementsFetcher from './fetchers/MeasurementsFetcher';\nimport MeasurementsTable from './MeasurementsTable';\nimport MeasurementsList from './MeasurementsList';\n\nimport React, { Component } from 'react';\nimport PropTypes from 'prop-types';\nimport { Button, ButtonGroup } from 'react-bootstrap';\n\nexport default class MeasurementsTab extends Component {\n constructor(props) {\n super(props);\n this.state = {\n displayMode: 'table',\n samplesWithMeasurements: []\n };\n }\n\n componentDidMount() {\n this.loadSampleData();\n }\n\n loadSampleData() {\n MeasurementsFetcher.fetchMeasurementHierarchy(this.props.sample).then(samples => {\n this.setState({ samplesWithMeasurements: samples });\n });\n }\n\n renderDisplaySwitcher() {\n return (\n {displaySwitcher}\n {displayData}\n
\n );\n }\n}\nMeasurementsTab.propTypes = {\n sample: PropTypes.object.isRequired\n};\n","/* eslint-disable react/forbid-prop-types */\n/* eslint-disable no-param-reassign */\nimport React from 'react';\nimport PropTypes from 'prop-types';\nimport {\n Button, ButtonToolbar,\n InputGroup, FormGroup, FormControl,\n Panel, ListGroup, ListGroupItem, Glyphicon, Tabs, Tab, Row, Col,\n Tooltip, OverlayTrigger, DropdownButton, MenuItem,\n ControlLabel, Modal, Alert, Checkbox\n} from 'react-bootstrap';\nimport SVG from 'react-inlinesvg';\nimport Clipboard from 'clipboard';\nimport Select from 'react-select';\nimport { cloneDeep, findIndex } from 'lodash';\nimport uuid from 'uuid';\nimport classNames from 'classnames';\nimport Immutable from 'immutable';\n\nimport ElementActions from './actions/ElementActions';\nimport ElementStore from './stores/ElementStore';\nimport DetailActions from './actions/DetailActions';\nimport LoadingActions from './actions/LoadingActions';\n\nimport UIStore from './stores/UIStore';\nimport UserStore from './stores/UserStore';\nimport UIActions from './actions/UIActions';\nimport QcActions from './actions/QcActions';\nimport QcStore from './stores/QcStore';\n\nimport ElementCollectionLabels from './ElementCollectionLabels';\nimport ElementAnalysesLabels from './ElementAnalysesLabels';\nimport PubchemLabels from './PubchemLabels';\nimport ElementReactionLabels from './ElementReactionLabels';\nimport SampleDetailsContainers from './SampleDetailsContainers';\n\nimport StructureEditorModal from './structure_editor/StructureEditorModal';\n\nimport Sample from './models/Sample';\nimport Container from './models/Container';\nimport PolymerSection from './PolymerSection';\nimport ElementalCompositionGroup from './ElementalCompositionGroup';\nimport ToggleSection from './common/ToggleSection';\nimport SampleName from './common/SampleName';\nimport ClipboardCopyText from './common/ClipboardCopyText';\nimport SampleForm from './SampleForm';\nimport ComputedPropsContainer from './computed_props/ComputedPropsContainer';\nimport ComputedPropLabel from './computed_props/ComputedPropLabel';\nimport Utils from './utils/Functions';\nimport PrintCodeButton from './common/PrintCodeButton';\nimport SampleDetailsLiteratures from './DetailsTabLiteratures';\nimport MoleculesFetcher from './fetchers/MoleculesFetcher';\nimport PubchemLcss from './PubchemLcss';\nimport QcMain from './qc/QcMain';\nimport { chmoConversions } from './OlsComponent';\nimport ConfirmClose from './common/ConfirmClose';\nimport { EditUserLabels, ShowUserLabels } from './UserLabels';\nimport CopyElementModal from './common/CopyElementModal';\nimport NotificationActions from './actions/NotificationActions';\nimport MatrixCheck from './common/MatrixCheck';\nimport AttachmentFetcher from './fetchers/AttachmentFetcher';\nimport NmrSimTab from './nmr_sim/NmrSimTab';\nimport FastInput from './FastInput';\nimport ScifinderSearch from './scifinder/ScifinderSearch';\nimport ElementDetailSortTab from './ElementDetailSortTab';\nimport { addSegmentTabs } from './generic/SegmentDetails';\nimport MeasurementsTab from './MeasurementsTab';\n\nconst MWPrecision = 6;\n\nconst decoupleCheck = (sample) => {\n if (!sample.decoupled && sample.molecule && sample.molecule.id === '_none_') {\n NotificationActions.add({\n title: 'Error on Sample creation', message: 'The molecule structure is required!', level: 'error', position: 'tc'\n });\n LoadingActions.stop();\n return false;\n }\n if (sample.decoupled && sample.sum_formula.trim() === '') { sample.sum_formula = 'undefined structure'; }\n if (!sample.decoupled) { sample.sum_formula = ''; }\n return true;\n};\n\nconst rangeCheck = (field, sample) => {\n if (sample[`${field}_lowerbound`] && sample[`${field}_lowerbound`] !== ''\n && sample[`${field}_upperbound`] && sample[`${field}_upperbound`] !== ''\n && Number.parseFloat(sample[`${field}_upperbound`]) < Number.parseFloat(sample[`${field}_lowerbound`])) {\n NotificationActions.add({\n title: `Error on ${field.replace(/(^\\w{1})|(_{1}\\w{1})/g, match => match.toUpperCase())}`, message: 'range lower bound must be less than or equal to range upper', level: 'error', position: 'tc'\n });\n LoadingActions.stop();\n return false;\n }\n return true;\n};\n\nexport default class SampleDetails extends React.Component {\n constructor(props) {\n super(props);\n this.state = {\n sample: props.sample,\n reaction: null,\n materialGroup: null,\n showStructureEditor: false,\n loadingMolecule: false,\n showElementalComposition: false,\n showChemicalIdentifiers: false,\n activeTab: UIStore.getState().sample.activeTab,\n qrCodeSVG: '',\n isCasLoading: false,\n showMolfileModal: false,\n smileReadonly: !((typeof props.sample.molecule.inchikey === 'undefined') || props.sample.molecule.inchikey == null || props.sample.molecule.inchikey === 'DUMMY'),\n quickCreator: false,\n showInchikey: false,\n pageMessage: null,\n visible: Immutable.List(),\n startExport: false,\n sfn: UIStore.getState().hasSfn,\n };\n\n const currentUser = (UserStore.getState() && UserStore.getState().currentUser) || {};\n this.enableComputedProps = MatrixCheck(currentUser.matrix, 'computedProp');\n this.enableSampleDecoupled = MatrixCheck(currentUser.matrix, 'sampleDecoupled');\n this.enableNmrSim = MatrixCheck(currentUser.matrix, 'nmrSim');\n\n this.onUIStoreChange = this.onUIStoreChange.bind(this);\n this.clipboard = new Clipboard('.clipboardBtn');\n this.addManualCas = this.addManualCas.bind(this);\n this.handleMolfileShow = this.handleMolfileShow.bind(this);\n this.handleMolfileClose = this.handleMolfileClose.bind(this);\n this.handleSampleChanged = this.handleSampleChanged.bind(this);\n this.handleSubmit = this.handleSubmit.bind(this);\n this.handleSelect = this.handleSelect.bind(this);\n this.toggleInchi = this.toggleInchi.bind(this);\n this.fetchQcWhenNeeded = this.fetchQcWhenNeeded.bind(this);\n this.customizableField = this.customizableField.bind(this);\n this.decoupleMolecule = this.decoupleMolecule.bind(this);\n this.onTabPositionChanged = this.onTabPositionChanged.bind(this);\n this.handleSegmentsChange = this.handleSegmentsChange.bind(this);\n this.decoupleChanged = this.decoupleChanged.bind(this);\n this.handleFastInput = this.handleFastInput.bind(this);\n }\n\n componentDidMount() {\n UIStore.listen(this.onUIStoreChange);\n const { activeTab } = this.state;\n this.fetchQcWhenNeeded(activeTab);\n }\n\n // eslint-disable-next-line camelcase\n UNSAFE_componentWillReceiveProps(nextProps) {\n if (nextProps.sample.isNew && (typeof (nextProps.sample.molfile) === 'undefined' || ((nextProps.sample.molfile || '').length === 0))\n || (typeof (nextProps.sample.molfile) !== 'undefined' && nextProps.sample.molecule.inchikey == 'DUMMY')) {\n this.setState({\n smileReadonly: false,\n });\n } else {\n this.setState({\n smileReadonly: true,\n });\n }\n this.setState({\n sample: nextProps.sample,\n loadingMolecule: false,\n isCasLoading: false,\n });\n }\n\n componentWillUnmount() {\n this.clipboard.destroy();\n UIStore.unlisten(this.onUIStoreChange);\n }\n\n onUIStoreChange(state) {\n if (state.sample.activeTab !== this.state.activeTab) {\n this.setState(previousState => ({\n ...previousState, activeTab: state.sample.activeTab\n }));\n }\n }\n\n handleMolfileShow() {\n this.setState({\n showMolfileModal: true\n });\n }\n\n handleMolfileClose() {\n this.setState({\n showMolfileModal: false\n });\n }\n\n handleSampleChanged(sample, cb) {\n this.setState({\n sample,\n }, cb);\n }\n\n handleAmountChanged(amount) {\n const { sample } = this.state;\n sample.setAmountAndNormalizeToGram(amount);\n this.setState({ sample });\n }\n\n handleImportedReadoutChanged(e) {\n const { sample } = this.state;\n sample.imported_readout = e.target.value;\n this.setState({\n sample\n });\n }\n\n showStructureEditor() {\n this.setState({\n showStructureEditor: true\n });\n }\n\n hideStructureEditor() {\n this.setState({\n showStructureEditor: false\n });\n }\n\n toggleInchi() {\n const { showInchikey } = this.state;\n this.setState({ showInchikey: !showInchikey });\n }\n\n handleFastInput(smi) {\n this.setState({ showChemicalIdentifiers: true }, () => {\n this.smilesInput.value = smi;\n this.handleMoleculeBySmile();\n });\n }\n\n handleMoleculeBySmile() {\n const smi = this.smilesInput.value;\n const { sample } = this.state;\n\n MoleculesFetcher.fetchBySmi(smi)\n .then((result) => {\n if (!result || result == null) {\n NotificationActions.add({\n title: 'Error on Sample creation', message: `Cannot create molecule with this smiles! [${smi}]`, level: 'error', position: 'tc'\n });\n } else {\n sample.molfile = result.molfile;\n sample.molecule_id = result.id;\n sample.molecule = result;\n this.molfileInput.value = result.molfile;\n this.inchistringInput.value = result.inchistring;\n this.setState({\n quickCreator: true,\n sample,\n smileReadonly: true,\n pageMessage: result.ob_log\n });\n ElementActions.refreshElements('sample');\n }\n }).catch((errorMessage) => {\n console.log(errorMessage);\n }).finally(() => LoadingActions.stop());\n }\n\n decoupleMolecule() {\n const { sample } = this.state;\n MoleculesFetcher.decouple(sample.molfile, sample.sample_svg_file, sample.decoupled)\n .then((result) => {\n sample.molecule = result;\n sample.molecule_id = result.id;\n this.setState({\n sample, pageMessage: result.ob_log\n });\n }).catch((errorMessage) => {\n console.log(errorMessage);\n });\n }\n\n decoupleChanged(e) {\n const { sample } = this.state;\n sample.decoupled = e.target.checked;\n if (!sample.decoupled) {\n sample.sum_formula = '';\n } else {\n if (sample.sum_formula.trim() === '') sample.sum_formula = 'undefined structure';\n if (sample.residues && sample.residues[0] && sample.residues[0].custom_info) {\n sample.residues[0].custom_info.polymer_type = 'self_defined';\n delete sample.residues[0].custom_info.surface_type;\n }\n }\n if (!sample.decoupled && ((sample.molfile || '') === '')) {\n this.handleSampleChanged(sample);\n } else {\n this.handleSampleChanged(sample, this.decoupleMolecule);\n }\n }\n\n handleStructureEditorSave(molfile, svg_file = null, config = null, editor = 'ketcher') {\n const { sample } = this.state;\n sample.molfile = molfile;\n const smiles = (config && sample.molecule) ? config.smiles : null;\n sample.contains_residues = molfile.indexOf(' R# ') > -1;\n sample.formulaChanged = true;\n this.setState({ loadingMolecule: true });\n if (!smiles || smiles === '') {\n MoleculesFetcher.fetchByMolfile(molfile, svg_file, editor, sample.decoupled)\n .then((result) => {\n sample.molecule = result;\n sample.molecule_id = result.id;\n this.setState({\n sample, smileReadonly: true, pageMessage: result.ob_log, loadingMolecule: false\n });\n }).catch((errorMessage) => {\n alert('Cannot create molecule!');\n console.log(`handleStructureEditorSave exception of fetchByMolfile: ${errorMessage}`);\n });\n } else {\n MoleculesFetcher.fetchBySmi(smiles, svg_file, molfile, editor)\n .then((result) => {\n if (!result || result == null) {\n alert('Cannot create molecule!');\n } else {\n sample.molecule = result;\n sample.molecule_id = result.id;\n this.setState({\n sample, smileReadonly: true, pageMessage: result.ob_log, loadingMolecule: false\n });\n }\n }).catch((errorMessage) => {\n alert('Cannot create molecule!');\n console.log(`handleStructureEditorSave exception of fetchBySmi: ${errorMessage}`);\n });\n }\n this.hideStructureEditor();\n }\n\n handleStructureEditorCancel() {\n this.hideStructureEditor();\n }\n\n handleSubmit(closeView = false) {\n LoadingActions.start();\n const { sample } = this.state;\n if (!decoupleCheck(sample)) return;\n if (!rangeCheck('boiling_point', sample)) return;\n if (!rangeCheck('melting_point', sample)) return;\n if (sample.belongTo && sample.belongTo.type === 'reaction') {\n const reaction = sample.belongTo;\n reaction.editedSample = sample;\n const materialGroup = sample.matGroup;\n if (sample.isNew) {\n ElementActions.createSampleForReaction(sample, reaction, materialGroup);\n } else {\n ElementActions.updateSampleForReaction(sample, reaction, closeView);\n }\n } else if (sample.belongTo && sample.belongTo.type === 'wellplate') {\n const wellplate = sample.belongTo;\n ElementActions.updateSampleForWellplate(sample, wellplate);\n } else if (sample.isNew) {\n ElementActions.createSample(sample, closeView);\n } else {\n sample.cleanBoilingMelting();\n ElementActions.updateSample(new Sample(sample), closeView);\n }\n\n if (sample.is_new || closeView) {\n DetailActions.close(sample, true);\n }\n sample.updateChecksum();\n }\n\n structureEditorButton(isDisabled) {\n return (\n // eslint-disable-next-line react/jsx-no-bind\n \n );\n }\n\n svgOrLoading(sample) {\n let svgPath = '';\n if (this.state.loadingMolecule) {\n svgPath = '/images/wild_card/loading-bubbles.svg';\n } else {\n svgPath = sample.svgPath;\n }\n let className = svgPath ? 'svg-container' : 'svg-container-empty'\n return (\n sample.can_update\n ? \n
\n : \n
\n );\n }\n\n sampleAverageMW(sample) {\n let mw = sample.molecule_molecular_weight;\n if(mw)\n return \n \n \n \n \n \n \n \n
\n );\n }\n\n initiateAnalysisWithKind(sample, kind) {\n let analysis = '';\n let a1 = Container.buildAnalysis(chmoConversions.others.value),\n a2 = Container.buildAnalysis(chmoConversions.others.value),\n a3 = Container.buildAnalysis(chmoConversions.others.value);\n switch(kind) {\n case chmoConversions.nmr_1h.termId:\n analysis = Container.buildAnalysis(chmoConversions.nmr_1h.value);\n sample.addAnalysis(analysis);\n ElementActions.updateSample(sample);\n Utils.downloadFile({contents: \"/api/v1/code_logs/print_analyses_codes?sample_id=\" + sample.id + \"&analyses_ids[]=\" + analysis.id + \"&type=nmr_analysis&size=small\"})\n break;\n case chmoConversions.nmr_13c.termId:\n analysis = Container.buildAnalysis(chmoConversions.nmr_13c.value);\n sample.addAnalysis(analysis);\n ElementActions.updateSample(sample);\n Utils.downloadFile({ contents: \"/api/v1/code_logs/print_analyses_codes?sample_id=\" + sample.id + \"&analyses_ids[]=\" + analysis.id + \"&type=nmr_analysis&size=small\" })\n break;\n case \"Others\":\n sample.addAnalysis(a1);\n ElementActions.updateSample(sample);\n Utils.downloadFile({contents: \"/api/v1/code_logs/print_analyses_codes?sample_id=\" + sample.id + \"&analyses_ids[]=\" + a1.id + \"&type=analysis&size=small\"})\n break;\n case \"Others2x\":\n sample.addAnalysis(a1);\n sample.addAnalysis(a2);\n ElementActions.updateSample(sample);\n Utils.downloadFile({contents: \"/api/v1/code_logs/print_analyses_codes?sample_id=\" + sample.id + \"&analyses_ids[]=\" + a1.id + \"&analyses_ids[]=\" + a2.id + \"&type=analysis&size=small\"})\n break;\n case \"Others3x\":\n sample.addAnalysis(a1);\n sample.addAnalysis(a2);\n sample.addAnalysis(a3);\n ElementActions.updateSample(sample);\n Utils.downloadFile({contents: \"/api/v1/code_logs/print_analyses_codes?sample_id=\" + sample.id + \"&analyses_ids[]=\" + a1.id + \"&analyses_ids[]=\" + a2.id + \"&analyses_ids[]=\" + a3.id + \"&type=analysis&size=small\"})\n break;\n }\n }\n\n sampleHeader(sample) {\n const saveBtnDisplay = sample.isEdited ? '' : 'none';\n const titleTooltip = `Created at: ${sample.created_at} \\n Updated at: ${sample.updated_at}`;\n\n const { currentCollection } = UIStore.getState();\n const defCol = currentCollection && currentCollection.is_shared === false &&\n currentCollection.is_locked === false && currentCollection.label !== 'All' ? currentCollection.id : null;\n\n const copyBtn = (sample.can_copy && !sample.isNew) ? (\n \n {titleTooltip}}>\n {sample.title()}\n \n Save and Close Sample}\n >\n this.handleSubmit(true)}\n style={{ display: saveBtnDisplay }}\n disabled={!this.sampleIsValid() || !sample.can_update}\n >\n \n \n \n \n Save Sample}\n >\n this.handleSubmit()}\n style={{ display: saveBtnDisplay }}\n disabled={!this.sampleIsValid() || !sample.can_update}\n >\n \n \n \n {copyBtn}\n FullScreen}\n >\n this.props.toggleFullScreen()}\n >\n \n \n \n
\n );\n }\n\n transferToDeviceButton(sample) {\n return (\n \n )\n }\n\n sampleInfo(sample) {\n const style = { height: '200px' };\n let pubchemLcss = (sample.pubchem_tag && sample.pubchem_tag.pubchem_lcss && sample.pubchem_tag.pubchem_lcss.Record) || null;\n if (pubchemLcss && pubchemLcss.Reference) {\n const echa = pubchemLcss.Reference.filter(e => e.SourceName === 'European Chemicals Agency (ECHA)').map(e => e.ReferenceNumber);\n if (echa.length > 0) {\n pubchemLcss = pubchemLcss.Section.find(e => e.TOCHeading === 'Safety and Hazards') || [];\n pubchemLcss = pubchemLcss.Section.find(e => e.TOCHeading === 'Hazards Identification') || [];\n pubchemLcss = pubchemLcss.Section[0].Information.filter(e => echa.includes(e.ReferenceNumber)) || null;\n } else pubchemLcss = null;\n }\n const pubchemCid = sample.pubchem_tag && sample.pubchem_tag.pubchem_cid ?\n sample.pubchem_tag.pubchem_cid : 0;\n const lcssSign = pubchemLcss && !sample.decoupled ?\n \n
\n {this.sampleAverageMW(sample)}
\n{this.sampleExactMW(sample)}
\n {lcssSign}\n \n\n
\n \n {this.elementalPropertiesItemHeader(sample)}\n\n {this.elementalPropertiesItemContent(sample, materialGroup, showElementalComposition)}\n
\n );\n }\n\n chemicalIdentifiersItemHeader(sample) {\n return (\n \n
\n ');\n return (\n
\n \n { this.molfileInputModal = m; }}\n defaultValue={this.molfileInput.value || ''}\n />\n \n
\n \n \n
\n \n {\n pageMessage.error.map(m => (\n
{m}
\n ))\n }\n {\n pageMessage.warning.map(m => (\n {m}
\n ))\n }\n \n ElementActions.openDeviceAnalysis(device, type)}\n />\n
\n )\n}\n\nexport default DropTarget([DragDropItemTypes.SAMPLE], target, collect)(DeviceSampleContainer)\n\nconst DeviceSample = ({sample, device}) => {\n return (\n \n {device.samples.length > 0\n ? device.samples.map((sample, key) => (\n
\n \n There are currently no Samples associated with this Device.\n
\n }\n \n \n Device-Management\n \n handleCloseDeviceManagement()}\n >\n \n \n
\n )\n}\n\nDeviceManagement.getStores = () => {\n return [ElementStore]\n}\n\nDeviceManagement.getPropsFromStores = () => {\n return ElementStore.getState().elements.devices\n}\n\nexport default connectToStores(DeviceManagement)\n\nconst Devices = ({devices, activeAccordionDevice}) => {\n const styleByDeviceState = (device) => {\n return device.isNew || device.isEdited\n ? \"info\"\n : \"default\"\n }\n if(devices.length > 0) {\n return (\n \n There are currently no Devices.\n
\n )\n }\n}\n\nconst Device = ({device}) => {\n const styleBySelectedType = (type) => {\n return device.types.includes(type)\n ? \"primary\"\n : \"default\"\n }\n\n const handleTypeClick = (type) => {\n ElementActions.toggleDeviceType(device, type)\n }\n\n const handleSave = () => {\n device.updateChecksum()\n ElementActions.saveDevice(device)\n }\n\n const handleChangeDeviceProp = (prop, value) => {\n ElementActions.changeDeviceProp(device, prop, value)\n }\n\n const bottomSpacer = {\n marginBottom: \"10px\"\n }\n\n return (\n\n Title \n handleChangeDeviceProp(\"title\", e.target.value)}\n style={bottomSpacer}\n />\n Code \n handleChangeDeviceProp(\"code\", e.target.value)}\n style={bottomSpacer}\n />\n Types
\n\n handleTypeClick(\"NMR\")}\n >\n NMR\n \n handleTypeClick(\"EA\")}\n >\n EA\n \n handleTypeClick(\"MS\")}\n >\n MS\n \n handleTypeClick(\"IR\")}\n >\n IR\n \n \n
\n handleSave()}\n >\n Save\n \n
\n )\n}\n\nconst DeviceHeader = ({device, state, onChangeState}) => {\n const handleRemoveDevice = (e) => {\n if(confirm('Delete the Device?')) {\n ElementActions.deleteDevice(device)\n }\n e.preventDefault()\n }\n\n return (\n \n
\n
\n {device.title}\n handleRemoveDevice(e)}\n >\n \n \n
\n )\n}\n\nconst AddDeviceButton = () => {\n return (\n \n \n \n
\n )\n}\n","import React from 'react'\nimport {Panel, PanelGroup , ButtonToolbar, Button, OverlayTrigger, Tooltip} from 'react-bootstrap'\nimport DeviceSampleContainer from './DeviceSampleContainer'\nimport ElementActions from './actions/ElementActions'\nimport DetailActions from './actions/DetailActions'\nimport DeviceManagement from './DeviceManagement'\n\n\nconst DeviceDetails = ({device, toggleFullScreen}) => {\n return (\n\n {device.title}\n Close Device}>\n \n \n Save Device}>\n \n \n FullScreen}>\n \n \n
\n )\n}\n","import React, { Component } from 'react';\nimport PropTypes from 'prop-types';\nimport {\n PanelGroup,\n Panel,\n Button,\n OverlayTrigger, SplitButton, ButtonGroup, MenuItem, Tooltip\n} from 'react-bootstrap';\nimport Container from './models/Container';\nimport ContainerComponent from './ContainerComponent';\nimport PrintCodeButton from './common/PrintCodeButton';\nimport QuillViewer from './QuillViewer';\nimport ImageModal from './common/ImageModal';\nimport { hNmrCount, cNmrCount, instrumentText } from './utils/ElementUtils';\nimport { contentToText } from './utils/quillFormat';\nimport { chmoConversions } from './OlsComponent';\nimport { previewContainerImage } from './utils/imageHelper';\nimport { JcampIds, BuildSpcInfos } from './utils/SpectraHelper';\nimport UIStore from './stores/UIStore';\nimport SpectraActions from './actions/SpectraActions';\nimport LoadingActions from './actions/LoadingActions';\nimport ViewSpectra from './ViewSpectra';\n\nimport TextTemplateActions from './actions/TextTemplateActions';\n\nconst nmrMsg = (reaction, container) => {\n if (container.extended_metadata &&\n (typeof container.extended_metadata.kind === 'undefined' ||\n (container.extended_metadata.kind.split('|')[0].trim() !== chmoConversions.nmr_1h.termId && container.extended_metadata.kind.split('|')[0].trim() !== chmoConversions.nmr_13c.termId)\n )) {\n return '';\n }\n const nmrStr = container.extended_metadata && contentToText(container.extended_metadata.content);\n\n if ((container.extended_metadata.kind || '').split('|')[0].trim() === chmoConversions.nmr_1h.termId) {\n const msg = hNmrCount(nmrStr);\n return ( (1H: {msg})
);\n } else if ((container.extended_metadata.kind || '').split('|')[0].trim() === chmoConversions.nmr_13c.termId) {\n const msg = cNmrCount(nmrStr);\n return ( (13C: {msg})
);\n }\n};\n\nconst SpectraEditorBtn = ({\n element, spcInfo, hasJcamp, hasChemSpectra,\n toggleSpectraModal, confirmRegenerate,\n}) => (\n \n this.handleOnClickRemove(container)}\n >\n \n \n
\n );\n };\n\n\n handleRemove(container) {\n const { reaction } = this.state;\n\n container.is_deleted = true;\n this.props.parent.handleReactionChange(reaction, { schemaChanged: false });\n }\n\n handleAccordionOpen(key) {\n this.setState({ activeContainer: key });\n }\n\n addButton() {\n const { readOnly } = this.props;\n if (!readOnly) {\n return (\n \n
\n )\n };\n\n const containerHeaderDeleted = (container) => {\n const kind = container.extended_metadata.kind && container.extended_metadata.kind !== '';\n const titleKind = kind ? (` - Type: ${(container.extended_metadata.kind.split('|')[1] || container.extended_metadata.kind).trim()}`) : '';\n\n const status = container.extended_metadata.status && container.extended_metadata.status != '';\n const titleStatus = status ? (' - Status: ' + container.extended_metadata.status) : '';\n\n return (\n \n
\n \n {\n this.headerBtnGroup(container, reaction, readOnly)\n }\n
\n \n
\n {container.name}
\n Type: {kind}
\n Status: {status} {nmrMsg(reaction, container)} {insText}
\n \n \n Content:\n \n
\n\n \n \n {container.name}\n {titleKind}\n {titleStatus}\n \n \n
\n )\n };\n\n if (reaction.container != null && reaction.container.children) {\n const analyses_container = reaction.container.children.filter(element => (\n ~element.container_type.indexOf('analyses')\n ));\n\n if (analyses_container.length === 1 && analyses_container[0].children.length > 0) {\n return (\n \n \n {analyses_container[0].children.map((container, key) => {\n if (container.is_deleted) {\n return (\n \n {containerHeaderDeleted(container)} \n \n );\n }\n\n return (\n \n \n \n {containerHeader(container)}\n \n \n \n \n \n );\n })}\n \n
\n );\n }\n\n return (\n \n {this.addButton()}\n
\n \n There are currently no Analyses.\n
\n );\n }\n}\n\nReactionDetailsContainers.propTypes = {\n readOnly: PropTypes.bool,\n parent: PropTypes.object,\n handleSubmit: PropTypes.func\n};\n","const fixDigit = (input, precision) => {\n const output = input || 0.0;\n return output.toFixed(precision);\n};\n\nconst precLimit = (precision) => {\n if (precision > 20) {\n return 20;\n } else if (precision < 0) {\n return 0;\n }\n return precision;\n};\n\nconst largerThanOne = (num, headLen, tailLen, precision) => {\n if ((precision - headLen) < 0) {\n return num.toFixed(0);\n }\n return num.toFixed(precLimit(precision - headLen));\n};\n\nconst smallerThanOne = (num, tailLen, precision) => {\n if (num === 0.0) {\n return num.toFixed(precLimit(precision - 1));\n }\n return num.toFixed(precLimit(precision + tailLen));\n};\n\nconst validDigit = (input, precision) => {\n const num = input || 0.0;\n const numStr = num.toFixed(10).toString().split('.');\n const headLen = numStr[0].replace(/^[0]+/g, '').length;\n const tailLen = numStr[1].replace(/[1-9]+\\d*/g, '').length;\n if (num >= 1.0) {\n return largerThanOne(num, headLen, tailLen, precision);\n }\n return smallerThanOne(num, tailLen, precision);\n};\n\nconst correctPrefix = (input, precision) => {\n if (input === 0.0) { return false; }\n if (input >= 1.0) { return `${validDigit(input, precision)} `; }\n if (input >= 0.001) { return `${validDigit(input * 1000, precision)} m`; }\n return `${validDigit(input * 1000000, precision)} \\u03BC`;\n};\n\nexport { fixDigit, validDigit, correctPrefix };\n","const permitWrite = element => !!element.can_update;\nexport const permitCls = element => (permitWrite(element) ? '' : 'permission-r');\nexport const permitOn = element => permitWrite(element);\n","import React, { Component } from 'react';\nimport PropTypes from 'prop-types';\nimport { Checkbox, Radio, FormControl, Button, InputGroup, OverlayTrigger, Tooltip } from 'react-bootstrap';\nimport { DragSource, DropTarget } from 'react-dnd';\nimport { compose } from 'redux';\nimport DragDropItemTypes from './DragDropItemTypes';\nimport NumeralInputWithUnitsCompo from './NumeralInputWithUnitsCompo';\nimport SampleName from './common/SampleName';\nimport ElementActions from './actions/ElementActions';\nimport { UrlSilentNavigation, SampleCode } from './utils/ElementUtils';\nimport { correctPrefix, validDigit } from './utils/MathUtils';\nimport Reaction from './models/Reaction';\nimport Sample from './models/Sample';\nimport { permitCls, permitOn } from './common/uis';\n\nconst matSource = {\n beginDrag(props) {\n return props;\n },\n};\n\nconst matTarget = {\n drop(tagProps, monitor) {\n const { dropSample, dropMaterial } = tagProps;\n const srcItem = monitor.getItem();\n const srcType = monitor.getItemType();\n\n if (srcType === DragDropItemTypes.SAMPLE) {\n dropSample(\n srcItem.element,\n tagProps.material,\n tagProps.materialGroup,\n );\n } else if (srcType === DragDropItemTypes.MOLECULE) {\n dropSample(\n srcItem.element,\n tagProps.material,\n tagProps.materialGroup,\n null,\n true,\n );\n } else if (srcType === DragDropItemTypes.MATERIAL) {\n dropMaterial(\n srcItem.material,\n srcItem.materialGroup,\n tagProps.material,\n tagProps.materialGroup,\n );\n }\n },\n canDrop(tagProps, monitor) {\n const srcType = monitor.getItemType();\n const isCorrectType = srcType === DragDropItemTypes.MATERIAL\n || srcType === DragDropItemTypes.SAMPLE\n || srcType === DragDropItemTypes.MOLECULE;\n return isCorrectType;\n },\n};\n\nconst matSrcCollect = (connect, monitor) => ({\n connectDragSource: connect.dragSource(),\n isDragging: monitor.isDragging(),\n});\n\nconst matTagCollect = (connect, monitor) => ({\n connectDropTarget: connect.dropTarget(),\n isOver: monitor.isOver(),\n canDrop: monitor.canDrop(),\n});\n\nconst notApplicableInput = () => (\n | IUPAC: | {material.molecule.iupac_name || ''} |
| Name: | {material.name || ''} |
| Ext.Label: | {material.external_label || ''} |
\n this.handleAmountUnitChange(e, material.amount_l)}\n onMetricsChange={this.handleMetricsChange}\n bsStyle={material.amount_unit === 'l' ? 'success' : 'default'}\n />\n
\n \n
\n \n );\n }\n }\n return (\n \n
\n \n this.handleAmountUnitChange(e, material.amount_g)}\n onMetricsChange={this.handleMetricsChange}\n bsStyle={material.error_mass ? 'error' : massBsStyle}\n name=\"molecular-weight\"\n />\n
\n \n this.handleExternalLabelChange(event)}\n />\n
\n \n ;\n if (moleculeIupacName === '') {\n iupacStyle.display = 'none';\n br = '';\n }\n const serialCode = SampleCode(index, materialGroup);\n\n const addToDesc = (e) => {\n e.stopPropagation();\n this.handleAddToDesc(material);\n };\n\n return (\n
\n
\n \n \n \n \n {materialName}\n
\n \n {moleculeIupacName}\n \n for target amounts
\n \n
\n
\n );\n};\n\n\nconst SolventsMaterialGroup = ({\n contents, materialGroup, reaction, addDefaultSolvent\n}) => {\n const addSampleButton = (\n | {addSampleButton} | \n{headers.group} | \n { isReactants &&{reagentDd} | }\n { !isReactants &&{refTHead} | }\n{headers.show_label} | \n { !isReactants &&{headers.tr} | }\n { !isReactants &&{headers.reaction_coefficient} | }\n { !isReactants &&{headers.amount} | }\n { !isReactants &&}\n { !isReactants && | }\n { showLoadingColumn && !isReactants && | {headers.loading} | }\n { !isReactants &&{headers.concn} | }\n {!isReactants && permitOn(reaction) &&{headers.eq} {!isReactants && materialGroup !== 'products' && SwitchEquivButton(lockEquivColumn, switchEquiv)} | }\n
|---|
\n \n \n
\n
\n );\n};\n\nMaterialGroup.propTypes = {\n materialGroup: PropTypes.string.isRequired,\n headIndex: PropTypes.number.isRequired,\n materials: PropTypes.arrayOf(PropTypes.shape).isRequired,\n deleteMaterial: PropTypes.func.isRequired,\n onChange: PropTypes.func.isRequired,\n showLoadingColumn: PropTypes.bool,\n reaction: PropTypes.instanceOf(Reaction).isRequired,\n addDefaultSolvent: PropTypes.func.isRequired,\n dropMaterial: PropTypes.func.isRequired,\n dropSample: PropTypes.func.isRequired,\n switchEquiv: PropTypes.func.isRequired,\n lockEquivColumn: PropTypes.bool\n};\n\nGeneralMaterialGroup.propTypes = {\n materialGroup: PropTypes.string.isRequired,\n showLoadingColumn: PropTypes.bool,\n reaction: PropTypes.instanceOf(Reaction).isRequired,\n addDefaultSolvent: PropTypes.func.isRequired,\n contents: PropTypes.arrayOf(PropTypes.shape).isRequired,\n switchEquiv: PropTypes.func.isRequired,\n lockEquivColumn: PropTypes.bool\n};\n\nSolventsMaterialGroup.propTypes = {\n materialGroup: PropTypes.string.isRequired,\n reaction: PropTypes.instanceOf(Reaction).isRequired,\n addDefaultSolvent: PropTypes.func.isRequired,\n contents: PropTypes.arrayOf(PropTypes.shape).isRequired\n};\n\nMaterialGroup.defaultProps = {\n showLoadingColumn: false,\n lockEquivColumn: false\n};\n\nGeneralMaterialGroup.defaultProps = {\n showLoadingColumn: false,\n lockEquivColumn: false\n};\n\n\nexport { MaterialGroup, GeneralMaterialGroup, SolventsMaterialGroup };\n","import React, { Component } from 'react';\nimport PropTypes from 'prop-types';\nimport { DropTarget } from 'react-dnd';\nimport DragDropItemTypes from './DragDropItemTypes';\nimport { MaterialGroup } from './MaterialGroup';\nimport Reaction from './models/Reaction';\n\n\nconst target = {\n drop(tagProps, monitor) {\n const { dropSample, dropMaterial } = tagProps;\n const srcItem = monitor.getItem();\n const srcType = monitor.getItemType();\n if (srcType === DragDropItemTypes.SAMPLE) {\n dropSample(\n srcItem.element,\n tagProps.material,\n tagProps.materialGroup,\n );\n } else if (srcType === DragDropItemTypes.MOLECULE) {\n dropSample(\n srcItem.element,\n tagProps.material,\n tagProps.materialGroup,\n null,\n true,\n );\n } else if (srcType === DragDropItemTypes.MATERIAL) {\n dropMaterial(\n srcItem.material,\n srcItem.materialGroup,\n tagProps.material,\n tagProps.materialGroup,\n );\n }\n },\n canDrop(tagProps, monitor) {\n const srcType = monitor.getItemType();\n const isCorrectType = srcType === DragDropItemTypes.MATERIAL\n || srcType === DragDropItemTypes.SAMPLE\n || srcType === DragDropItemTypes.MOLECULE;\n const noMaterial = tagProps.materials.length === 0;\n return noMaterial && isCorrectType;\n },\n};\n\nconst collect = (connect, monitor) => ({\n connectDropTarget: connect.dropTarget(),\n isOver: monitor.isOver(),\n canDrop: monitor.canDrop(),\n});\n\nclass MaterialGroupContainer extends Component {\n render() {\n const {\n materials, materialGroup, showLoadingColumn, headIndex,\n isOver, canDrop, connectDropTarget,\n deleteMaterial, onChange, reaction, dropSample, dropMaterial, switchEquiv, lockEquivColumn\n } = this.props;\n const style = {\n padding: '2px 5px',\n };\n if (isOver && canDrop) {\n style.borderStyle = 'dashed';\n style.borderColor = '#337ab7';\n } else if (canDrop) {\n style.borderStyle = 'dashed';\n }\n\n return connectDropTarget(\n | {addSampleButton} | \n\n | \n T/R | \nLabel | \nVol | \nVol ratio | \n\n |
|---|
\n
,\n );\n }\n}\n\nexport default DropTarget(\n [DragDropItemTypes.SAMPLE, DragDropItemTypes.MOLECULE, DragDropItemTypes.MATERIAL],\n target,\n collect,\n)(MaterialGroupContainer);\n\nMaterialGroupContainer.propTypes = {\n materials: PropTypes.arrayOf(PropTypes.shape).isRequired,\n headIndex: PropTypes.number.isRequired,\n materialGroup: PropTypes.string.isRequired,\n deleteMaterial: PropTypes.func.isRequired,\n onChange: PropTypes.func.isRequired,\n dropSample: PropTypes.func.isRequired,\n dropMaterial: PropTypes.func.isRequired,\n reaction: PropTypes.instanceOf(Reaction).isRequired,\n showLoadingColumn: PropTypes.bool,\n isOver: PropTypes.bool.isRequired,\n canDrop: PropTypes.bool.isRequired,\n connectDropTarget: PropTypes.func.isRequired,\n switchEquiv: PropTypes.func,\n lockEquivColumn: PropTypes.bool\n};\n\nMaterialGroupContainer.defaultProps = {\n showLoadingColumn: false,\n switchEquiv: () => null,\n lockEquivColumn: false\n};\n","import d3 from 'd3'\n/* global $ */\n\nclass D3LineChart {\n constructor() {\n this.margin = {\n top: 0,\n bottom: 40,\n right: 10,\n left: 80,\n }\n this.width = 650 - this.margin.left - this.margin.right\n this.height = 400 - this.margin.top - this.margin.bottom\n }\n\n create(input) {\n this.drawChart(input);\n }\n\n update(input) {\n this.destroy(input.el);\n this.drawChart(input);\n }\n\n destroy(el) {\n d3.select(el).selectAll('svg').remove();\n }\n\n drawChart(props) {\n const { data, el, xAxisLabel, yAxisLabel } = props\n\n // Convert hh:mm:ss to hour decimal\n let decimalData = data.data.map(function (d) {\n if (!d.time) return {time: \"0\", value: \"21\"}\n\n let timeArray = d.time.split(':')\n\n let hours = parseFloat(timeArray[0].match(/\\d+/g))\n let minutes = parseFloat(timeArray[1].match(/\\d+/g))\n let seconds = parseFloat(timeArray[2].match(/\\d+/g))\n\n let time = parseFloat((((seconds / 60) + minutes) / 60) + hours)\n time = time.toFixed(4)\n\n return {time: time, value: d.value}\n })\n\n // Sort by time\n decimalData.sort((a, b) => (a.time - b.time))\n\n const width = this.width\n const height = this.height\n const margin = this.margin\n\n const xExtent = d3.extent(decimalData, d => d.time)\n const yMin = d3.min(decimalData, d => parseFloat(d.value))\n const yMax = d3.max(decimalData, d => parseFloat(d.value))\n const delta = (yMax - yMin) * 0.1\n const yExtent = [yMin - delta, yMax + delta]\n\n const xScale = d3.scale.linear().range([0, width]).domain(xExtent)\n const yScale = d3.scale.linear().range([height, 0]).domain(yExtent)\n\n const linePath = d3.svg.line()\n .x(d => xScale(d.time))\n .y(d => yScale(d.value))\n\n const zoomed = () => {\n svg.select('.x.axis').call(xAxis)\n svg.select('.y.axis').call(yAxis)\n\n svg.select('.x.grid')\n .call(makeXaxis.tickSize(-height, 0, 0).tickFormat(''))\n svg.select('.y.grid')\n .call(makeYaxis.tickSize(-width, 0, 0).tickFormat(''))\n\n svg.select('.line')\n .attr('class', 'line')\n .attr('d', linePath(decimalData))\n }\n\n const zoom = d3.behavior.zoom().y(yScale).x(xScale).on('zoom', zoomed)\n\n const resetZoom = () => {\n d3.transition().duration(200).tween('zoom', () => {\n const ix = d3.interpolate(xScale.domain(), xExtent)\n const iy = d3.interpolate(yScale.domain(), yExtent)\n\n d3.interpolate(xScale.domain(), xExtent)\n d3.interpolate(yScale.domain(), yExtent)\n\n return t => {\n zoom.x(xScale.domain(ix(t))).y(yScale.domain(iy(t)))\n zoomed()\n }\n })\n }\n\n const viewBoxWidth = width + margin.left + margin.right\n const viewBoxHeight = height + 2 * margin.top + 2 * margin.bottom\n\n const svg = d3.select(el)\n .append('svg:svg')\n .attr('id', 'line-chart')\n .attr('width', width)\n .attr('height', height)\n .attr('viewBox', `0 0 ${viewBoxWidth} ${viewBoxHeight}`)\n .attr('perserveAspectRatio', 'xMinYMin')\n .append('svg:g')\n .attr('transform', `translate(${margin.left}, ${margin.top})`)\n .call(zoom).on('dblclick.zoom', resetZoom)\n\n svg.append('svg:rect')\n .attr('width', width)\n .attr('height', height)\n .attr('class', 'plot')\n\n const xAxis = d3.svg.axis().scale(xScale).orient('bottom').ticks(5)\n const yAxis = d3.svg.axis().scale(yScale).orient('left').ticks(5)\n\n const makeXaxis = d3.svg.axis().scale(xScale).orient('bottom').ticks(5)\n const makeYaxis = d3.svg.axis().scale(yScale).orient('left').ticks(5)\n\n svg.append('svg:g')\n .attr('class', 'x axis')\n .attr('transform', `translate(0, ${height})`)\n .call(xAxis)\n\n svg.append('g')\n .attr('class', 'y axis')\n .call(yAxis)\n\n svg.append('g')\n .attr('class', 'x grid')\n .attr('transform', `translate(0, ${height})`)\n .call(makeXaxis.tickSize(-height, 0, 0).tickFormat(''))\n\n svg.append('g')\n .attr('class', 'y grid')\n .call(makeYaxis.tickSize(-width, 0, 0).tickFormat(''))\n\n svg.append('text')\n .attr('text-anchor', 'middle')\n .attr('transform',\n `translate(${0 - margin.left + 15}, ${height / 2})rotate(-90)`)\n .text(yAxisLabel)\n\n svg.append('text')\n .attr('text-anchor', 'middle') // this makes it easy to centre the text\n .attr('transform',\n `translate(${width / 2}, ${height + margin.bottom})`)\n .text(xAxisLabel)\n\n svg.append('svg:clipPath')\n .attr('id', 'clip')\n .append('svg:rect')\n .attr('x', 0)\n .attr('y', 0)\n .attr('width', width)\n .attr('height', height)\n\n const chartBody = svg.append('g')\n .attr('clip-path', 'url(#clip)')\n\n chartBody.append('svg:path')\n .datum(data)\n .attr('class', 'line')\n .attr('d', linePath(decimalData))\n\n // // responsive\n // const chart = $('#line-chart')\n // const aspect = chart.width() / chart.height()\n // const container = chart.parent()\n //\n // $(window).on('resize', () => {\n // const targetWidth = container.width()\n // chart.attr('width', targetWidth)\n // chart.attr('height', Math.round(targetWidth / aspect))\n // }).trigger('resize')\n }\n}\n\nconst LineChart = new D3LineChart()\n\nexport { LineChart }\n","import React from 'react';\nimport ReactDOM from 'react-dom';\n// import PropTypes from 'prop-types';\n\nimport { LineChart } from './LineChart';\n\nexport default class LineChartContainer extends React.Component {\n componentDidMount() {\n LineChart.create({\n data: this.props.data,\n el: this.getDOMNode(),\n xAxisLabel: this.props.xAxis,\n yAxisLabel: this.props.yAxis\n })\n }\n\n UNSAFE_componentWillReceiveProps(nextProps) {\n LineChart.update({\n data: nextProps.data,\n el: this.getDOMNode(),\n xAxisLabel: nextProps.xAxis,\n yAxisLabel: nextProps.yAxis\n })\n }\n\n componentWillUnmount() {\n LineChart.destroy(this.getDOMNode())\n }\n\n getDOMNode() {\n return ReactDOM.findDOMNode(this)\n }\n\n render() {\n return (\n \n )\n }\n}\n\n// LineChartContainer.propTypes = {\n// data: PropTypes.shape({\n// timeUnit: PropTypes.string.isRequired,\n// valueUnit: PropTypes.string.isRequired,\n// data: PropTypes.arrayOf(PropTypes.shape({\n// time: PropTypes.number.isRequired,\n// value: PropTypes.number.isRequired\n// }))\n// })\n// }\n","import React from 'react';\n// import PropTypes from 'prop-types';\n\nexport default class EditableCell extends React.Component {\n constructor(props) {\n super(props)\n this.state = {\n editing: false,\n val: props.value\n }\n\n this.handleChange = this.handleChange.bind(this)\n this.handleDoubleClick = this.handleDoubleClick.bind(this)\n this.handleBlur = this.handleBlur.bind(this)\n }\n\n UNSAFE_componentWillReceiveProps(nextProps) {\n this.setState({val: nextProps.value})\n }\n\n handleBlur(e) {\n let {uid, type, onCellValueChange, inputOnChange} = this.props\n let newValue = inputOnChange(this.state.val, e.target.value)\n\n this.setState({\n editing: false,\n val: newValue\n }, onCellValueChange(uid, type, newValue))\n }\n\n handleChange(e) {\n let {inputOnChange} = this.props\n\n this.setState({val: e.target.value})\n }\n\n handleDoubleClick() {\n this.setState({editing: true})\n }\n\n render() {\n let {uid, inputPlaceholder} = this.props\n let {editing, val} = this.state\n\n let displayValue = editing ? '' : val\n\n let cellContent = ''\n let className = ''\n if (editing) {\n className = 'editable-selected'\n cellContent = (\n \n )\n }\n\n return (\n \n {cellContent}\n \n {displayValue}\n \n
\n )\n }\n}\n\n// EditableCell.propTypes = {\n// inputOnChange: PropTypes.func.isRequired,\n// onCellValueChange: PropTypes.func.isRequired\n// }\n","import React from 'react';\n// import PropTypes from 'prop-types';\nimport { Table } from 'react-bootstrap';\n\nimport EditableCell from './EditableCell'\n\nexport default class EditableTable extends React.Component {\n constructor(props) {\n super(props)\n\n this.state = {\n data: this.props.temperature.data,\n newTime: \"\",\n newTemperature: \"\"\n }\n\n this.onCellValueChange = this.onCellValueChange.bind(this)\n this.removeRow = this.removeRow.bind(this)\n this.addRow = this.addRow.bind(this)\n\n this.handleTimeOnchange = this.handleTimeOnchange.bind(this)\n this.handleTemperatureOnchange = this.handleTemperatureOnchange.bind(this)\n\n this.handleNewTimeInput = this.handleNewTimeInput.bind(this)\n this.handleNewTemperatureInput = this.handleNewTemperatureInput.bind(this)\n }\n\n UNSAFE_componentWillReceiveProps(nextProps) {\n let data = nextProps.temperature.data\n data.sort((a, b) => (\n Date.parse(\"01/01/2016 \" + a.time) - Date.parse(\"01/01/2016 \" + b.time)\n ))\n\n this.setState({data: data})\n }\n\n handleTimeOnchange(oldVal, newVal) {\n newVal = this.checkDefaultTime(newVal)\n oldVal = this.checkDefaultTime(oldVal)\n\n if (newVal.length > 8) {\n newVal = newVal.substr(1)\n newVal = newVal.replace(/:/g, \"\")\n newVal = newVal.replace(/(\\d)(?=(\\d\\d)+(?!\\d))/g, \"$1:\")\n\n return newVal\n }\n\n let timeRegex = /^(?:(?:(\\d\\d):)?([0-5]?\\d):)?([0-5]?\\d)$/g\n let match = timeRegex.exec(newVal)\n\n if (match != null) {\n return (match[1] || \"00\") + \":\" +\n (match[2] || \"00\") + \":\" +\n (match[3] || \"00\")\n } else {\n return oldVal\n }\n }\n\n handleTemperatureOnchange(oldVal, newVal) {\n newVal = newVal.replace(/[^\\d|-]/g, \"\")\n return this.checkDefaultTemperature(newVal)\n }\n\n handleNewTimeInput(e) {\n let newTime = e.target.value\n newTime = this.handleTimeOnchange(this.state.newTime, newTime)\n newTime = this.checkDefaultTime(newTime)\n\n this.setState({newTime: newTime})\n }\n\n handleNewTemperatureInput(e) {\n let newTemperature = e.target.value\n newTemperature = newTemperature.replace(/[^\\d|-]/g, \"\")\n newTemperature = this.checkDefaultTemperature(newTemperature)\n\n this.setState({newTemperature: newTemperature})\n }\n\n checkDefaultTime(time) {\n if (typeof(time) == \"undefined\" || time == null ||\n time == \"\")\n return \"00:00:00\"\n else\n return time\n }\n\n checkDefaultTemperature(temperature) {\n if (typeof(temperature) == \"undefined\" || temperature == null ||\n temperature == \"\")\n return \"21\"\n else\n return temperature\n }\n\n removeRow(uid) {\n let {data} = this.state\n let {updateTemperature} = this.props\n if (uid > -1) {\n data.splice(uid, 1)\n }\n\n this.setState({data: data}, updateTemperature(data))\n }\n\n addRow() {\n let { data } = this.state\n let { updateTemperature } = this.props\n let newTime = this.newTime.value\n newTime = this.checkDefaultTime(newTime)\n let newTemperature = this.newTemperature.value\n newTemperature = this.checkDefaultTemperature(newTemperature)\n let newData = { time: newTime, value: newTemperature }\n\n data.push(newData)\n this.setState({\n data: data,\n newTime: '',\n newTemperature: ''\n }, updateTemperature(data))\n }\n\n onCellValueChange(uid, type, newValue) {\n let {data} = this.state\n let {updateTemperature} = this.props\n\n data[uid][type] = newValue\n\n this.setState({data: data}, updateTemperature(data))\n }\n\n render() {\n let {data, newTime, newTemperature} = this.state\n let {valueUnit} = this.props.temperature\n\n var rows = []\n for (let i = 0; i < data.length; i = i + 1) {\n let row = (\n \n
\n \n this.onCellValueChange(uid, type, newValue)}\n inputOnChange={(oldVal, newVal) => this.handleTemperatureOnchange(oldVal, newVal)}/>\n
\n this.removeRow(i)} />\n | Time (hh:mm:ss) | \nTemperature ({valueUnit}) | \n
|---|---|
| \n | \n \n \n \n | \n
\n
\n \n
\n \n );\n }\n\n return (\n \n
\n );\n }\n}\n\nQuillEditor.propTypes = {\n value: PropTypes.object,\n customToolbar: PropTypes.oneOfType([PropTypes.object, PropTypes.string]),\n toolbarSymbol: PropTypes.array,\n toolbarDropdown: PropTypes.arrayOf(PropTypes.object),\n theme: PropTypes.string,\n height: PropTypes.string,\n disabled: PropTypes.bool,\n onChange: PropTypes.func,\n};\n\nQuillEditor.defaultProps = {\n value: {},\n customToolbar: '',\n toolbarSymbol: [],\n toolbarDropdown: [],\n theme: 'snow',\n height: '230px',\n disabled: false,\n onChange: null,\n};\n","const observationPurification = [\n { 'flash-chromatography': 'The obtained crude product was purified via flash-chromatography on silica gel using cyclohexane/ethyl acetate 20:1 to 4:1.' },\n { hplc: 'The obtained crude product was purified via HPLC using MeCN/H₂O 10:1.' },\n];\n\nconst solventsTL = [\n { cyclohexane: 'cyclohexane/ethyl acetate 20:1' },\n { 'CH2Cl2': 'CH₂Cl₂/MeOH 20:1' },\n { 'NEt3': 'cyclohexane/ethyl acetate 20:1 + 1% NEt₃' },\n];\n\nexport { solventsTL, observationPurification };\n","import React, { Component } from 'react';\nimport PropTypes from 'prop-types';\nimport { Row, Col, FormGroup } from 'react-bootstrap';\nimport Select from 'react-select';\nimport 'moment-precise-range-plugin';\nimport { purificationOptions } from './staticDropdownOptions/options';\nimport MaterialGroupContainer from './MaterialGroupContainer';\nimport QuillEditor from './QuillEditor';\nimport QuillViewer from './QuillViewer';\nimport Sample from './models/Sample';\nimport { observationPurification, solventsTL } from './utils/reactionPredefined';\nimport { permitOn } from './common/uis';\nimport PrivateNoteElement from './PrivateNoteElement';\n\nfunction dummy() { return true; }\n\nexport default class ReactionDetailsPurification extends Component {\n constructor(props) {\n super(props);\n this.handlePurificationChange = this.handlePurificationChange.bind(this);\n this.handleOnReactionChange = this.handleOnReactionChange.bind(this);\n this.handleOnSolventSelect = this.handleOnSolventSelect.bind(this);\n this.handlePSolventChange = this.handlePSolventChange.bind(this);\n this.deletePSolvent = this.deletePSolvent.bind(this);\n this.dropPSolvent = this.dropPSolvent.bind(this);\n }\n\n handleOnReactionChange(reaction) {\n this.props.onReactionChange(reaction);\n }\n\n handlePurificationChange(selected) {\n if (selected.length === 0) {\n return this.handleMultiselectChange('purification', selected);\n }\n\n const obs = observationPurification;\n const { reaction } = this.props;\n\n const selectedVal = selected[selected.length - 1].value;\n const predefinedObs = obs.filter(x =>\n Object.keys(x).filter(k =>\n k.toLowerCase().localeCompare(selectedVal.toLowerCase()) === 0,\n ).length > 0,\n );\n\n if (predefinedObs.length > 0) {\n const values = selected.map(option => option.value);\n reaction.purification = values;\n\n const predefined = predefinedObs[0][selectedVal.toLowerCase()];\n reaction.concat_text_observation(predefined);\n\n this.handleOnReactionChange(reaction);\n } else {\n this.handleMultiselectChange('purification', selected);\n }\n\n return 0;\n }\n\n handlePSolventChange(changeEvent) {\n const { sampleID, amount } = changeEvent;\n const { reaction, onReactionChange } = this.props;\n const updatedSample = reaction.sampleById(sampleID);\n updatedSample.setAmount(amount);\n onReactionChange(reaction);\n }\n\n deletePSolvent(material) {\n const { reaction, onReactionChange } = this.props;\n reaction.deleteMaterial(material, 'purification_solvents');\n onReactionChange(reaction);\n }\n\n dropPSolvent(srcSample, tagMaterial, tagGroup, extLabel) {\n const { reaction, onReactionChange } = this.props;\n const splitSample = Sample.buildNew(srcSample, reaction.collection_id, tagGroup);\n splitSample.short_label = tagGroup.slice(0, -1);\n splitSample.external_label = extLabel;\n reaction.addMaterialAt(splitSample, null, tagMaterial, tagGroup);\n onReactionChange(reaction, { schemaChanged: true });\n }\n\n handleMultiselectChange(type, selectedOptions) {\n const values = selectedOptions.map(option => option.value);\n const wrappedEvent = { target: { value: values } };\n this.props.onInputChange(type, wrappedEvent);\n }\n\n handleOnSolventSelect(eventKey) {\n const { reaction } = this.props;\n let val;\n if (eventKey > solventsTL.length) {\n val = '';\n } else {\n const key = Object.keys(solventsTL[eventKey])[0];\n val = solventsTL[eventKey][key];\n }\n reaction.tlc_solvents = val;\n this.handleOnReactionChange(reaction);\n }\n\n render() {\n const { reaction, onInputChange, additionQuillRef } = this.props;\n return (\n \n \n {this.renderQuillToolbarGroup()}\n \n { this.props.customToolbar }\n \n {this.renderCustomToolbar()}\n {this.renderCustomDropdown()}\n
\n Purification
\n Purification Solvents
\n Additional information for publication and purification details
\n \n {\n permitOn(reaction) ?\n onInputChange('observation', event)}\n /> :
\n \n \n
,\n )\n : null\n );\n};\n\nexport default compose(\n DropTarget(DragDropItemTypes.GENERALPROCEDURE, gpTarget, gpDropCollect),\n)(GeneralProcedureDnd);\n","import React, { Component } from 'react';\nimport PropTypes from 'prop-types';\nimport {\n Row, Col, FormGroup, ControlLabel, FormControl, Button,\n InputGroup, OverlayTrigger, Tooltip\n} from 'react-bootstrap';\nimport 'moment-precise-range-plugin';\nimport Clipboard from 'clipboard';\nimport { permitOn } from './common/uis';\n\nexport default class ReactionDetailsDuration extends Component {\n constructor(props) {\n super(props);\n props.reaction.convertDurationDisplay();\n this.setCurrentTime = this.setCurrentTime.bind(this);\n this.copyToDuration = this.copyToDuration.bind(this);\n this.handleDurationChange = this.handleDurationChange.bind(this);\n }\n\n componentDidMount() {\n this.clipboard = new Clipboard('.clipboardBtn');\n }\n\n // eslint-disable-next-line camelcase\n UNSAFE_componentWillReceiveProps(nextProps) {\n if (!nextProps.reaction) { return; }\n nextProps.reaction.convertDurationDisplay();\n }\n\n componentWillUnmount() {\n this.clipboard.destroy();\n }\n\n setCurrentTime(type) {\n const currentTime = new Date().toLocaleString('en-GB').split(', ').join(' ');\n const { reaction } = this.props;\n const wrappedEvent = { target: { value: currentTime } };\n this.props.onInputChange(type, wrappedEvent);\n if (type === 'timestampStart' && (reaction.status === 'Planned' || !reaction.status)) {\n this.props.onInputChange('status', { target: { value: 'Running' } });\n } else if (type === 'timestampStop' && reaction.status === 'Running') {\n this.props.onInputChange('status', { target: { value: 'Done' } });\n }\n }\n\n changeDurationUnit() {\n this.props.onInputChange('duration', { nextUnit: true });\n }\n\n copyToDuration() {\n this.props.onInputChange('duration', { fromStartStop: true });\n }\n\n handleDurationChange(event) {\n const nextValue = event.target.value && event.target.value.replace(',', '.');\n if (!isNaN(nextValue) || nextValue === '') {\n this.props.onInputChange('duration', { nextValue });\n }\n }\n\n render() {\n const { reaction } = this.props;\n const durationCalc = reaction && reaction.durationCalc();\n const timePlaceholder = 'DD/MM/YYYY hh:mm:ss';\n return (\n (rounded to precision 1)}\n >\n \n \n
\n \n \n this.deleteMaterial(material, materialGroup)\n }\n dropSample={this.dropSample}\n showLoadingColumn={!!reaction.hasPolymers()}\n onChange={changeEvent => this.handleMaterialsChange(changeEvent)}\n switchEquiv={this.switchEquiv}\n lockEquivColumn={this.state.lockEquivColumn}\n headIndex={0}\n />\n \n \n this.deleteMaterial(material, materialGroup)\n }\n dropSample={this.dropSample}\n showLoadingColumn={!!reaction.hasPolymers()}\n onChange={changeEvent => this.handleMaterialsChange(changeEvent)}\n switchEquiv={this.switchEquiv}\n lockEquivColumn={lockEquivColumn}\n headIndex={headReactants}\n />\n \n \n\n this.deleteMaterial(material, materialGroup)\n }\n dropSample={this.dropSample}\n showLoadingColumn={!!reaction.hasPolymers()}\n onChange={changeEvent => this.handleMaterialsChange(changeEvent)}\n switchEquiv={this.switchEquiv}\n lockEquivColumn={this.state.lockEquivColumn}\n headIndex={0}\n />\n \n \n { this.solventCollapseBtn() }\n \n \n \n \n { this.conditionsCollapseBtn() }\n \n \n \n \n \n \n this.props.onInputChange(type, event)}\n />\n \n \n Type (Name Reaction Ontology) \n this.props.onInputChange('rxno', event.trim())}\n selectedDisable={!permitOn(reaction) || reaction.isMethodDisabled('rxno')}\n />\n \n \n {this.renderRole()}\n
\n \n \n Description \n \n \n
\n this.onReactionChange(r)}\n onInputChange={(type, event) => this.props.onInputChange(type, event)}\n additionQuillRef={this.additionQuillRef}\n />\n \n \n
\n );\n }\n}\n\nReactionDetailsScheme.propTypes = {\n reaction: PropTypes.instanceOf(Reaction).isRequired,\n onReactionChange: PropTypes.func.isRequired,\n onInputChange: PropTypes.func.isRequired\n};\n","import React from 'react';\nimport PropTypes from 'prop-types';\n\nfunction StringTag({ string }) {\n const arr = string.match(/<\\s*(\\w+\\b)(?:(?!<\\s*\\/\\s*\\1\\b)[\\s\\S])*<\\s*\\/\\s*\\1\\s*>|[^<]+/g);\n\n const arrComponents = arr.map((val, idx) => {\n const subVal = val.match(/\n this.deleteMaterial(material, materialGroup)\n }\n dropSample={this.dropSample}\n showLoadingColumn={!!reaction.hasPolymers()}\n onChange={changeEvent => this.handleMaterialsChange(changeEvent)}\n switchEquiv={this.switchEquiv}\n lockEquivColumn={this.state.lockEquivColumn}\n headIndex={0}\n />\n
\n \n this.props.onInputChange('conditions', event)}\n />\n
\n \n this.props.onInputChange(type, event)}\n />\n
\n \n {\n permitOn(reaction) ?\n this.props.onInputChange('description', event)}\n /> :
\n \n \n \n \n Type (Name Reaction Ontology) \n this.props.onInputChange('rxno', event.trim())}\n selectedDisable={!permitOn(reaction) || reaction.isMethodDisabled('rxno')}\n />\n \n \n this.handleMultiselectChange('dangerousProducts', selectedOptions)}\n />\n \n
\n \n \n \n \n Solvents (parts) \n \n \n \n { solventsItems }\n \n this.props.onInputChange('tlc_solvents', event)}\n />\n \n \n \n \n \n Rf-Value \n this.props.onInputChange('rfValue', event)}\n />\n \n \n
\n \n \n TLC-Description \n this.props.onInputChange('tlcDescription', event)}\n />\n \n \n
\n \n \n
\n );\n }\n}\n\nReactionDetailsProperties.propTypes = {\n reaction: PropTypes.object,\n onReactionChange: PropTypes.func,\n onInputChange: PropTypes.func\n};\n","import React from 'react';\nimport PropTypes from 'prop-types';\nimport _ from 'lodash';\nimport { AgGridReact } from 'ag-grid-react';\nimport { Checkbox } from 'react-bootstrap';\n\nimport Sample from '../models/Sample';\nimport SampleName from '../common/SampleName';\n\nfunction floatFormatter(params) {\n if (isNaN(params.value)) {\n return 0;\n }\n return (params.value || 0).toFixed(4);\n}\n\nfunction MaterialNameWithIupac({ group, node }) {\n const material = node.data;\n const skipIupacName = (\n group === 'reactants' ||\n group === 'solvents' ||\n group === 'purification_solvents'\n );\n\n let materialName = '';\n let moleculeIupacName = '';\n\n if (skipIupacName) {\n materialName = material.molecule_iupac_name || material.name;\n if (group === 'solvents' || group === 'purification_solvents') {\n materialName = material.external_label || '';\n }\n if (materialName === null || materialName === '') {\n materialName = \n this.props.onInputChange(type, event)}\n />\n
\n Dangerous Products
\n TLC-Control
\n\n
\n );\n}\n\nfunction WasteCheckbox({ node, toggleWaste }) {\n const material = node.data;\n return (\n {materialName}
\n {moleculeIupacName}
\n \n toggleWaste(material)}\n />\n
\n );\n}\n\nexport default class GreenMaterialGroup extends React.Component {\n constructor() {\n super();\n\n this.onGridReady = this.onGridReady.bind(this);\n this.onCoefficientChanged = this.onCoefficientChanged.bind(this);\n this.toggleWaste = this.toggleWaste.bind(this);\n this.autoSizeAll = this.autoSizeAll.bind(this);\n }\n\n componentDidUpdate() {\n this.autoSizeAll();\n }\n\n onGridReady(params) {\n this.api = params.api;\n }\n\n autoSizeAll() {\n if (!this.api) return;\n setTimeout(() => {\n this.api.sizeColumnsToFit();\n this.api.resetRowHeights();\n }, 0);\n }\n\n onCoefficientChanged(params) {\n const { materials, onChange } = this.props;\n const material = materials[params.rowIndex];\n material.coefficient = params.value;\n\n onChange();\n }\n\n toggleWaste(material) {\n const { materials, onChange } = this.props;\n material.waste = !(material.waste || false);\n this.api.refreshCells();\n onChange();\n }\n\n render() {\n const {\n group, materials\n } = this.props;\n if (materials && materials.length === 0) return ;\n\n const isProduct = group === 'products';\n const contents = [];\n\n const columnDefs = [\n {\n headerName: _.startCase(group),\n width: 170,\n cellRendererFramework: MaterialNameWithIupac,\n cellRendererParams: { group },\n },\n { headerName: \"Mass\", field: \"amount_g\", valueFormatter: floatFormatter },\n {\n headerName: \"Volume\",\n field: \"amount_l\",\n valueFormatter: floatFormatter,\n width: 86,\n },\n {\n headerName: \"Moles\",\n field: \"amount_mol\",\n width: 76,\n valueFormatter: floatFormatter,\n },\n {\n headerName: 'Equiv.',\n field: 'equivalent',\n width: 76,\n valueFormatter: floatFormatter\n },\n {\n headerName: group === 'products' ? 'Waste' : 'Recyclable',\n field: 'waste',\n width: 104,\n cellRendererFramework: WasteCheckbox,\n cellRendererParams: { toggleWaste: this.toggleWaste },\n },\n {\n headerName: 'Coeff',\n field: 'coefficient',\n width: 72,\n editable: true,\n cellEditor: 'agTextCellEditor',\n },\n ];\n\n const defaultColDef = {\n editable: false,\n width: 71,\n autoHeight: true,\n };\n\n return (\n \n
\n );\n }\n}\n\nGreenMaterialGroup.propTypes = {\n group: PropTypes.string.isRequired,\n materials: PropTypes.arrayOf(PropTypes.instanceOf(Sample)).isRequired,\n onChange: PropTypes.func.isRequired,\n};\n","import React from 'react';\nimport PropTypes from 'prop-types';\nimport { AgGridReact } from 'ag-grid-react';\n\nimport Reaction from '../models/Reaction';\n\nfunction getWaste(samples) {\n return samples.filter(s => s.waste);\n}\n\nfunction getNonWaste(samples) {\n return (samples || []).filter(s => s == null || !s.waste);\n}\n\nfunction sumReducer(acc, cur) {\n return acc + cur;\n}\n\nfunction floatFormatter(params) {\n const { value } = params;\n return value === '' ? value : value.toFixed(2);\n}\n\nexport default class GreenMetrics extends React.Component {\n constructor() {\n super();\n\n this.onGridReady = this.onGridReady.bind(this);\n this.autoSizeAll = this.autoSizeAll.bind(this);\n }\n\n componentDidUpdate() {\n this.autoSizeAll();\n }\n\n onGridReady(params) {\n this.api = params.api;\n }\n\n autoSizeAll() {\n if (!this.api) return;\n setTimeout(() => {\n this.api.sizeColumnsToFit();\n }, 0);\n }\n\n render() {\n const { reaction } = this.props;\n const startsAmount = reaction.starting_materials\n .map(x => x.amount_g).reduce(sumReducer, 0);\n const selectedStartsAmount = getNonWaste(reaction.starting_materials)\n .map(x => x.amount_g).reduce(sumReducer, 0);\n\n const reactantsAmount = reaction.reactants\n .map(x => x.amount_g).reduce(sumReducer, 0);\n const selectedReactantsAmount = getNonWaste(reaction.reactants)\n .map(x => x.amount_g).reduce(sumReducer, 0);\n\n const solventsAmount = reaction.solvents\n .map(x => x.amount_g).reduce(sumReducer, 0);\n const selectedSolventsAmount = getNonWaste(reaction.solvents)\n .map(x => x.amount_g).reduce(sumReducer, 0);\n\n const pSolventsAmount = (reaction.purification_solvents || [])\n .map(x => x.amount_g).reduce(sumReducer, 0);\n const selectedPSolventsAmount = getNonWaste(reaction.purification_solvents)\n .map(x => x.amount_g).reduce(sumReducer, 0);\n\n const prodsAmount = (reaction.products || [])\n .map(x => x.amount_g).reduce(sumReducer, 0);\n const selectedProductsAmount = getNonWaste(reaction.products)\n .map(x => x.amount_g).reduce(sumReducer, 0);\n const wastedProductsAmount = getWaste(reaction.products)\n .map(x => x.amount_g).reduce(sumReducer, 0);\n\n const sef = (startsAmount + reactantsAmount + solventsAmount - prodsAmount) / prodsAmount;\n const cef = (\n startsAmount + reactantsAmount + solventsAmount +\n pSolventsAmount - prodsAmount\n ) / prodsAmount;\n const cuef = (\n selectedStartsAmount + selectedReactantsAmount + selectedSolventsAmount +\n selectedPSolventsAmount - selectedProductsAmount - wastedProductsAmount\n ) / selectedProductsAmount;\n\n const aesm = reaction.starting_materials\n .map(x => x.molecule_molecular_weight * x.coefficient)\n .reduce(sumReducer, 0);\n const aep = reaction.products\n .map(x => x.molecule_molecular_weight * x.coefficient)\n .reduce(sumReducer, 0);\n const caep = getNonWaste(reaction.products)\n .map(x => x.molecule_molecular_weight * x.coefficient)\n .reduce(sumReducer, 0);\n const aer = reaction.reactants\n .map(x => x.equivalent < 0.3 ? 0 : (x.molecule_molecular_weight * x.coefficient))\n .reduce(sumReducer, 0);\n const caer = getNonWaste(reaction.reactants)\n .map(x => x.equivalent < 0.3 ? 0 : (x.molecule_molecular_weight * x.coefficient))\n .reduce(sumReducer, 0);\n const ae = (aep / (aesm + aer));\n const cae = (caep / (aesm + caer));\n\n const data = [{\n sef: sef || '',\n cef: cef || '',\n cuef: cuef || '',\n ae: ae,\n cae: cae,\n }];\n\n const columnDefs = [\n {\n headerName: 'Simple E factor (sEF)',\n field: 'sef',\n },\n {\n headerName: 'Complete E factor (cEF)',\n field: 'cef',\n },\n {\n headerName: 'Custom E factor',\n field: 'cuef',\n },\n {\n headerName: 'Atom economy (AE)',\n field: 'ae',\n },\n {\n headerName: 'Custom Atom economy',\n field: 'cae',\n },\n ];\n\n const defaultColDef = {\n editable: false,\n valueFormatter: floatFormatter,\n };\n\n return (\n \n
\n );\n }\n}\n\nGreenMetrics.propTypes = {\n reaction: PropTypes.instanceOf(Reaction).isRequired\n};\n","import React, { Component } from 'react';\nimport PropTypes from 'prop-types';\nimport { AgGridReact } from 'ag-grid-react';\n\nimport Reaction from '../models/Reaction';\nimport GreenMaterialGroup from './GreenMaterialGroup';\nimport { UrlSilentNavigation } from '../utils/ElementUtils';\nimport ElementActions from '../actions/ElementActions';\n\nimport GreenMetrics from './GreenMetrics';\n\nexport default class GreenChemistry extends Component {\n constructor() {\n super();\n\n this.updateGroupData = this.updateGroupData.bind(this);\n }\n\n updateGroupData() {\n const { reaction, onReactionChange } = this.props;\n onReactionChange(reaction, { schemaChanged: false });\n }\n\n render() {\n const { reaction, onReactionChange } = this.props;\n\n const data = [\n { segment: 'Oil refining', factor: '< 0.1' },\n { segment: 'Bulk chemicals', factor: '< 1 - 5' },\n { segment: 'Fine chemicals', factor: '5 - 50' },\n { segment: 'Pharmaceuticals', factor: '25 - > 100' },\n ];\n\n const columnDefs = [\n {\n headerName: 'Industry Segment',\n field: 'segment',\n },\n {\n headerName: 'E factor (kg waste per kg product)',\n field: 'factor',\n width: 148,\n },\n ];\n\n const defaultColDef = {\n editable: false,\n width: 120,\n };\n\n return (\n \n
\n );\n }\n}\n\nGreenChemistry.propTypes = {\n reaction: PropTypes.instanceOf(Reaction).isRequired,\n onReactionChange: PropTypes.func.isRequired,\n};\n","const setReactionByType = (reaction, type, value) => {\n let options = {};\n\n switch (type) {\n case 'name':\n reaction.name = value;\n break;\n case 'observation':\n reaction.observation = value;\n break;\n case 'status':\n reaction.status = value;\n break;\n case 'description':\n reaction.description = value;\n options = { schemaChanged: false }\n break;\n case 'purification':\n reaction.purification = value;\n break;\n case 'tlc_solvents':\n reaction.tlc_solvents = value;\n break;\n case 'rfValue':\n reaction.rf_value = value;\n break;\n case 'timestampStart':\n reaction.timestamp_start = value;\n break;\n case 'timestampStop':\n reaction.timestamp_stop = value;\n break;\n case 'tlcDescription':\n reaction.tlc_description = value;\n break;\n case 'temperature':\n reaction.temperature.userText = value;\n options = {schemaChanged: true}\n break;\n case 'temperatureUnit':\n reaction.temperature = reaction.convertTemperature(value);\n options = {schemaChanged: true}\n break;\n case 'temperatureData':\n reaction.temperature = value;\n options = {schemaChanged: true}\n break;\n case 'dangerousProducts':\n reaction.dangerous_products = value;\n break;\n case 'conditions':\n reaction.conditions = value;\n options = {schemaChanged: true}\n break;\n case 'solvent':\n reaction.solvent = value;\n options = {schemaChanged: true}\n break;\n case 'role':\n reaction.role = value;\n reaction.name = reaction.nameFromRole(value);\n break;\n case 'duration':\n reaction.durationDisplay = value;\n options = { schemaChanged: true }\n break;\n case 'rxno':\n reaction.rxno = value;\n break;\n }\n\n return { newReaction: reaction, options: options }\n}\n\nexport {setReactionByType}\n","import React, { Component } from 'react';\nimport PropTypes from 'prop-types';\nimport { Button } from 'react-bootstrap';\nimport CollectionsFetcher from './fetchers/CollectionsFetcher';\n\nexport default class ExportSamplesBtn extends Component {\n constructor(props) {\n super(props);\n this.state = { startExport: false };\n }\n\n handleExport(type, id) {\n this.setState({ startExport: true });\n CollectionsFetcher.expotSamples(type, id)\n .then(() => { this.setState({ startExport: false }); })\n .catch((errorMessage) => { console.log(errorMessage); });\n }\n\n render() {\n const { type, id } = this.props;\n const { startExport } = this.state;\n return (\n \n );\n }\n}\n\nExportSamplesBtn.propTypes = {\n type: PropTypes.string.isRequired,\n id: PropTypes.number.isRequired\n};\n","import React, { Component } from 'react';\nimport PropTypes from 'prop-types';\nimport {\n Col, Panel, ListGroupItem, ButtonToolbar, Button,\n Tabs, Tab, OverlayTrigger, Tooltip\n} from 'react-bootstrap';\nimport SvgFileZoomPan from 'react-svg-file-zoom-pan-latest';\nimport { findIndex } from 'lodash';\nimport uuid from 'uuid';\nimport ElementCollectionLabels from './ElementCollectionLabels';\nimport ElementAnalysesLabels from './ElementAnalysesLabels';\nimport ElementActions from './actions/ElementActions';\nimport DetailActions from './actions/DetailActions';\nimport LoadingActions from './actions/LoadingActions';\nimport ReactionDetailsLiteratures from './DetailsTabLiteratures';\nimport ReactionDetailsContainers from './ReactionDetailsContainers';\nimport SampleDetailsContainers from './SampleDetailsContainers';\nimport ReactionDetailsScheme from './ReactionDetailsScheme';\nimport ReactionDetailsProperties from './ReactionDetailsProperties';\nimport GreenChemistry from './green_chem/GreenChemistry';\nimport Utils from './utils/Functions';\nimport PrintCodeButton from './common/PrintCodeButton';\nimport UIStore from './stores/UIStore';\nimport UIActions from './actions/UIActions';\nimport { setReactionByType } from './ReactionDetailsShare';\nimport { sampleShowOrNew } from './routesUtils';\nimport ReactionSvgFetcher from './fetchers/ReactionSvgFetcher';\nimport ConfirmClose from './common/ConfirmClose';\nimport { rfValueFormat } from './utils/ElementUtils';\nimport ExportSamplesBtn from './ExportSamplesBtn';\nimport CopyElementModal from './common/CopyElementModal';\nimport { permitOn } from './common/uis';\nimport { addSegmentTabs } from './generic/SegmentDetails';\nimport Immutable from 'immutable';\nimport ElementDetailSortTab from './ElementDetailSortTab';\nimport ScifinderSearch from './scifinder/ScifinderSearch';\n\nexport default class ReactionDetails extends Component {\n constructor(props) {\n super(props);\n\n const { reaction } = props;\n this.state = {\n reaction: reaction,\n literatures: reaction.literatures,\n activeTab: UIStore.getState().reaction.activeTab,\n visible: Immutable.List(),\n sfn: UIStore.getState().hasSfn,\n };\n\n // remarked because of #466 reaction load image issue (Paggy 12.07.2018)\n // if(reaction.hasMaterials()) {\n // this.updateReactionSvg();\n // }\n\n this.onUIStoreChange = this.onUIStoreChange.bind(this);\n this.handleReactionChange = this.handleReactionChange.bind(this);\n this.handleSubmit = this.handleSubmit.bind(this);\n this.onTabPositionChanged = this.onTabPositionChanged.bind(this);\n this.handleSegmentsChange = this.handleSegmentsChange.bind(this);\n if(!reaction.reaction_svg_file) {\n this.updateReactionSvg();\n }\n }\n\n\n componentDidMount() {\n UIStore.listen(this.onUIStoreChange)\n }\n\n // eslint-disable-next-line camelcase\n UNSAFE_componentWillReceiveProps(nextProps) {\n const { reaction } = this.state;\n const nextReaction = nextProps.reaction;\n\n if (nextReaction.id !== reaction.id ||\n nextReaction.updated_at !== reaction.updated_at ||\n nextReaction.reaction_svg_file !== reaction.reaction_svg_file ||\n nextReaction.changed || nextReaction.editedSample) {\n this.setState(prevState => ({ ...prevState, reaction: nextReaction }));\n }\n }\n\n shouldComponentUpdate(nextProps, nextState) {\n const nextReaction = nextProps.reaction;\n const nextActiveTab = nextState.activeTab;\n const nextVisible = nextState.visible;\n const { reaction, activeTab, visible } = this.state;\n return (\n nextReaction.id !== reaction.id ||\n nextReaction.updated_at !== reaction.updated_at ||\n nextReaction.reaction_svg_file !== reaction.reaction_svg_file ||\n !!nextReaction.changed || !!nextReaction.editedSample ||\n nextActiveTab !== activeTab || nextVisible !== visible\n );\n }\n\n componentWillUnmount() {\n UIStore.unlisten(this.onUIStoreChange)\n }\n\n onUIStoreChange(state) {\n if (state.reaction.activeTab != this.state.activeTab) {\n this.setState({\n activeTab: state.reaction.activeTab\n });\n }\n }\n\n handleSubmit(closeView = false) {\n LoadingActions.start();\n\n const { reaction } = this.state;\n if (reaction && reaction.isNew) {\n ElementActions.createReaction(reaction);\n } else {\n ElementActions.updateReaction(reaction, closeView);\n }\n\n if (reaction.is_new || closeView) {\n DetailActions.close(reaction, true);\n }\n }\n\n reactionIsValid() {\n const {reaction} = this.state;\n return reaction.hasMaterials() && reaction.SMGroupValid();\n }\n\n handleReactionChange(reaction, options={}) {\n reaction.changed = true;\n if(options.schemaChanged) {\n this.setState({ reaction }, () => this.updateReactionSvg());\n } else {\n this.setState({ reaction });\n }\n }\n\n handleInputChange(type, event) {\n let value;\n if (type === 'temperatureUnit' || type === 'temperatureData' ||\n type === 'description' || type === 'role' || type === 'observation' || type === 'durationUnit' || type === 'duration' || type === 'rxno') {\n value = event;\n } else if (type === 'rfValue') {\n value = rfValueFormat(event.target.value) || '';\n } else {\n value = event.target.value;\n }\n\n const { reaction } = this.state;\n\n const { newReaction, options } = setReactionByType(reaction, type, value);\n this.handleReactionChange(newReaction, options);\n }\n\n handleProductClick(product) {\n const uri = Aviator.getCurrentURI();\n const uriArray = uri.split(/\\//);\n Aviator.navigate(`/${uriArray[1]}/${uriArray[2]}/sample/${product.id}`, { silent: true });\n sampleShowOrNew({ params: { sampleID: product.id} });\n }\n\n handleProductChange(product, cb) {\n let {reaction} = this.state\n\n reaction.updateMaterial(product)\n reaction.changed = true\n\n this.setState({ reaction }, cb)\n }\n\n productLink(product) {\n return (\n \n Analysis:\n \n this.handleProductClick(product)}\n style={{cursor: 'pointer'}}\n title=\"Open sample window\">\n {product.title()}\n \n \n )\n }\n\n productData(reaction) {\n const { products } = this.state.reaction;\n\n const tabs = products.map((product, key) => {\n const title = this.productLink(product);\n const setState = () => this.handleProductChange(product);\n const handleSampleChanged = (_, cb) => this.handleProductChange(product, cb);\n\n return (\n \n
\n \n E factor: \n The E Factor 25 Years on: The Rise of Green Chemistry and Sustainability. \n Sheldon, Roger A. Green Chemistry 19, Nr. 1 (3. Januar 2017): 18–43.\n
\n
\n Atom economy (AE): \n The Atom Economy -- a Search for Synthetic Efficiency. \n Trost, B. M. Science 254, Nr. 5037 (6. Dezember 1991): 1471–77.\n
\n
\n \n Atom economy has a value between 0 (bad) - 1 (very good)\n \n
\n \n
\n Atom economy (AE): \n The Atom Economy -- a Search for Synthetic Efficiency. \n Trost, B. M. Science 254, Nr. 5037 (6. Dezember 1991): 1471–77.\n
\n
\n \n Atom economy has a value between 0 (bad) - 1 (very good)\n \n
\n
\n \n {titleTooltip}}>\n {reaction.title()}\n \n Save and Close Reaction}>\n this.handleSubmit(true)}\n disabled={!permitOn(reaction) || !this.reactionIsValid() || reaction.isNew}\n style={{ display: hasChanged }}\n >\n \n \n \n \n Save Reaction}>\n \n \n {copyBtn}\n FullScreen}\n >\n this.props.toggleFullScreen()}\n >\n \n \n \n Generate Report}\n >\n Utils.downloadFile({\n contents: \"/api/v1/reports/docx?id=\" + reaction.id,\n name: reaction.name\n })}\n >\n \n \n \n \n
\n );\n }\n\n handleSelect(key) {\n UIActions.selectTab({tabKey: key, type: 'reaction'});\n this.setState({\n activeTab: key\n })\n }\n\n onTabPositionChanged(visible) {\n this.setState({ visible })\n }\n\n updateReactionSvg() {\n const { reaction } = this.state;\n const materialsSvgPaths = {\n starting_materials: reaction.starting_materials.map(material => material.svgPath),\n reactants: reaction.reactants.map(material => material.svgPath),\n products: reaction.products.map(material => [material.svgPath, material.equivalent])\n };\n\n const solvents = reaction.solvents.map((s) => {\n const name = s.preferred_label;\n return name;\n }).filter(s => s);\n\n let temperature = reaction.temperature_display;\n if (/^[\\-|\\d]\\d*\\.{0,1}\\d{0,2}$/.test(temperature)) {\n temperature = `${temperature} ${reaction.temperature.valueUnit}`;\n }\n\n ReactionSvgFetcher.fetchByMaterialsSvgPaths(materialsSvgPaths, temperature, solvents, reaction.duration, reaction.conditions).then((result) => {\n reaction.reaction_svg_file = result.reaction_svg;\n this.setState(reaction);\n });\n }\n\n handleSegmentsChange(se) {\n const { reaction } = this.state;\n const { segments } = reaction;\n const idx = findIndex(segments, o => o.segment_klass_id === se.segment_klass_id);\n if (idx >= 0) { segments.splice(idx, 1, se); } else { segments.push(se); }\n reaction.segments = segments;\n reaction.changed = true;\n this.setState({ reaction });\n }\n\n render() {\n const { reaction } = this.state;\n const { visible } = this.state;\n const tabContentsMap = {\n scheme: (\n \n {colLabel}\n \n
\n \n
\n
\n );\n }\n for (let i = 0; i < labels.length; i++) {\n if (labels[i] == 'Name') {\n displayLabel += sample.name + ', ';\n } else if (labels[i] == 'External label') {\n displayLabel += sample.external_label + ', ';\n }\n }\n return (\n {displayLabel}
\n );\n } else {\n return (\n \n
\n );\n }\n } else {\n return \n }\n }\n}\n\nWell.propTypes = {\n sample: PropTypes.object\n};\n","import React, { Component } from 'react';\nimport PropTypes from 'prop-types';\nimport { DragSource, DropTarget } from 'react-dnd';\nimport DragDropItemTypes from './DragDropItemTypes';\nimport Well from './Well';\n\nconst wellSource = {\n beginDrag(props) {\n return props;\n }\n};\n\nconst wellTarget = {\n canDrop(props, monitor){\n const item = monitor.getItem();\n const itemType = monitor.getItemType();\n let canDrop = true;\n if (itemType == 'sample' && props.well.sample) {\n canDrop = false;\n } else if (itemType == 'well' && ! item.well.sample && ! props.well.sample) {\n canDrop = false;\n }\n return canDrop;\n },\n drop(props, monitor){\n const item = monitor.getItem();\n const itemType = monitor.getItemType();\n if (itemType == 'sample') {\n props.dropSample(item.element, props.well);\n } else if (itemType == 'well') {\n props.swapWells(item.well, props.well);\n }\n }\n};\n\nconst collectTarget = (connect, monitor) => ({\n connectDropTarget: connect.dropTarget(),\n isOver: monitor.isOver(),\n canDrop: monitor.canDrop()\n});\n\nconst collectSource = (connect, monitor) => ({\n connectDragSource: connect.dragSource(),\n isDragging: monitor.isDragging()\n});\n\nclass WellContainer extends Component {\n UNSAFE_componentWillReceiveProps(nextProps) {\n const {active, hideOverlay} = this.props;\n if (active && nextProps.isDragging) {\n hideOverlay();\n }\n }\n\n render() {\n const {style, isDragging, connectDragSource, connectDropTarget, well, isOver, canDrop, active} = this.props;\n const containerStyle = {\n paddingTop: 9,\n borderRadius: '50%',\n float: 'left',\n borderWidth: 4,\n borderStyle: 'solid',\n borderColor: 'lightgray',\n textAlign: 'center',\n verticalAlign: 'middle',\n lineHeight: 2,\n cursor: 'move',\n backgroundColor: well.color_code || 'white'\n };\n if (active) {\n containerStyle.backgroundColor = '#337ab7';\n containerStyle.color = 'white';\n }\n if (isDragging) {\n containerStyle.opacity = 0;\n }\n if (well.sample) {\n containerStyle.borderColor = 'gray';\n }\n if (isOver && canDrop) {\n containerStyle.borderStyle = 'dashed';\n containerStyle.borderColor = '#337ab7';\n containerStyle.opacity = 0;\n } else if (canDrop) {\n containerStyle.borderStyle = 'dashed';\n }\n\n return (\n connectDragSource(connectDropTarget(\n \n
\n ))\n );\n }\n}\n\nexport default DropTarget([DragDropItemTypes.WELL, DragDropItemTypes.SAMPLE], wellTarget, collectTarget)(DragSource(DragDropItemTypes.WELL, wellSource, collectSource)(WellContainer));\n\nWellContainer.propTypes = {\n connectDragSource: PropTypes.func.isRequired,\n connectDropTarget: PropTypes.func.isRequired,\n isDragging: PropTypes.bool.isRequired,\n isOver: PropTypes.bool.isRequired,\n canDrop: PropTypes.bool.isRequired,\n swapWells: PropTypes.func.isRequired,\n dropSample: PropTypes.func.isRequired,\n well: PropTypes.object\n};\n","import React, {Component} from 'react';\n\nexport default class WellplateLabels extends Component {\n render() {\n const {size, cols, width, type} = this.props;\n let style = {\n width: width,\n fontSize: 20,\n fontWeight: 'bold'\n };\n if (type == 'horizontal') {\n let labels = [];\n for (let i = 0; i < cols; i ++) {\n labels[i] = i + 1;\n }\n style = {\n ...style,\n float: 'left',\n height: width / 2,\n textAlign: 'center'\n };\n return (\n \n {labels.map(label =>
\n );\n } else if (type == 'vertical') {\n const alphabet = \"ABCDEFGHIJKLMNOPQRSTUVWXYZ\".split(\"\");\n let labels = [];\n const rows = size / cols;\n for (let i = 0; i < rows; i ++) {\n labels[i] = alphabet[i];\n }\n style = {\n ...style,\n height: width,\n lineHeight: 3,\n verticalAlign: 'middle',\n paddingLeft: 10\n };\n return (\n {label}
)}\n \n {labels.map((label, key) =>
\n );\n }\n }\n}\n","import React from 'react';\nimport { Button, Popover, Overlay, ControlLabel, FormGroup, FormControl, Col, InputGroup, ButtonGroup } from 'react-bootstrap';\nimport SVG from 'react-inlinesvg';\nimport PropTypes from 'prop-types';\nimport Select from 'react-select';\nimport { CirclePicker } from 'react-color';\nimport { wellplateShowSample } from './routesUtils';\n\nconst sampleName = (sample) => { /* eslint-disable camelcase */\n if (sample) {\n const { name, external_label, short_label } = sample;\n const sampleNameLabel = `${name || ''} ${external_label || ''} ${short_label || ''}`;\n if (sample.isNew) {\n return sampleNameLabel;\n }\n return (\n // TODO: FIXME: Uncaught ReferenceError: handleSampleClick is not defined\n handleSampleClick(sample)} style={{ cursor: 'pointer' }}>\n {sampleNameLabel}\n \n );\n }\n return ();\n}; /* eslint-enable */\n\nconst handleSampleClick = (sample) => {\n const { params, uri } = Aviator.getCurrentRequest();\n Aviator.navigate(`${uri}/sample/${sample.id}`, { silent: true });\n wellplateShowSample({ params: { ...params, sampleID: sample.id } });\n}\n\nconst renderWellContent = (well, removeSampleFromWell) => {\n const {sample} = well;\n let svg, moleculeName, removeButton = '';\n\n const svgContainerStyle = {\n borderRadius: '50%',\n height: 190,\n width: 190,\n border: '6px solid lightgray',\n textAlign: 'center',\n verticalAlign: 'middle',\n lineHeight: 2\n };\n if (sample) {\n svg = {label}
)}\n \n \n \n Date \n \n \n \n DateType \n \n \n
\n
\n ))}\n\n \n \n {attachment.filename}\n \n this.props.onUndoDelete(attachment)}\n >\n \n \n \n
\n
\n );\n }\n\n return (\n \n \n \n this.props.onDownload(attachment)}\n >\n \n \n \n \n this.handleEdit(attachment)}\n >\n \n {this.renderImportAttachmentButton(attachment)}\n \n
\n
\n );\n }\n\n renderAttachments() {\n const { attachments } = this.props;\n if (attachments && attachments.length > 0) {\n return (\n \n
\n \n \n
\n \n There are currently no attachments.
\n
\n );\n }\n\n renderDropzone() {\n\n return (\n \n
\n Drop Files, or Click to Select.\n
\n \n );\n }\n\n renderImportAttachmentButton(attachment) {\n const show = this.state.showImportConfirm[attachment.id];\n // TODO: import disabled when?\n const importDisabled = this.props.researchPlan.changed;\n const extension = last(attachment.filename.split('.'));\n\n const importTooltip = importDisabled ?\n \n
\n \n \n this.hideImportConfirm(attachment.id)}\n target={this.importButtonRefs[attachment.id]}\n >\n {confirmTooltip}\n \n\n
\n );\n }\n return true;\n }\n\n showImportConfirm(attachmentId) {\n const { showImportConfirm } = this.state;\n showImportConfirm[attachmentId] = true;\n this.setState({ showImportConfirm });\n }\n\n hideImportConfirm(attachmentId) {\n const { showImportConfirm } = this.state;\n showImportConfirm[attachmentId] = false;\n this.setState({ showImportConfirm });\n }\n\n confirmAttachmentImport(attachment) {\n this.onImport(attachment);\n this.hideImportConfirm(attachment.id);\n }\n\n render() {\n return (\n \n { this.importButtonRefs[attachment.id] = ref; }}\n style={importDisabled ? { pointerEvents: 'none' } : {}}\n onClick={() => this.showImportConfirm(attachment.id)}\n >\n
\n \n this.handleRemove(container)}\n >\n \n \n
\n );\n }\n\n addButton() {\n const { readOnly } = this.props;\n if (!readOnly) {\n return (\n \n
\n );\n };\n\n const containerHeaderDeleted = (container) => {\n const kind = container.extended_metadata.kind && container.extended_metadata.kind !== '';\n const titleKind = kind ? (` - Type: ${(container.extended_metadata.kind.split('|')[1] || container.extended_metadata.kind).trim()}`) : '';\n\n const status = container.extended_metadata.status && container.extended_metadata.status !== '';\n const titleStatus = status ? (` - Status: ${container.extended_metadata.status}`) : '';\n\n return (\n \n
\n \n {\n this.headerBtnGroup(container, readOnly)\n }\n
\n \n
\n {container.name}
\n Type: {kind}
\n Status: {status} {insText}
\n\n \n \n Content:\n \n
\n\n \n \n {container.name}\n {titleKind}\n {titleStatus}\n \n this.handleUndo(container)}\n >\n \n \n
\n );\n };\n\n if (researchPlan.container != null && researchPlan.container.children) {\n const analysesContainer = researchPlan.container.children.filter(element => (\n ~element.container_type.indexOf('analyses')\n ));\n\n if (analysesContainer.length === 1 && analysesContainer[0].children.length > 0) {\n return (\n \n \n {analysesContainer[0].children.map((container, key) => {\n if (container.is_deleted) {\n return (\n \n {containerHeaderDeleted(container)} \n \n );\n }\n\n return (\n \n \n \n {containerHeader(container)}\n \n \n \n \n \n );\n })}\n \n
\n );\n }\n\n return (\n \n {this.addButton()}\n
\n \n There are currently no Analyses.\n
\n );\n }\n}\n\nResearchPlanDetailsContainers.propTypes = {\n researchPlan: PropTypes.object.isRequired,\n readOnly: PropTypes.bool.isRequired,\n parent: PropTypes.object.isRequired,\n handleSubmit: PropTypes.func\n};\n","import React, { Component } from 'react';\nimport PropTypes from 'prop-types';\nimport { Panel, ListGroup, ListGroupItem, ButtonToolbar, Button, Tooltip, OverlayTrigger, Tabs, Tab, Dropdown, MenuItem } from 'react-bootstrap';\nimport { unionBy, findIndex } from 'lodash';\nimport Immutable from 'immutable';\nimport ElementCollectionLabels from '../ElementCollectionLabels';\nimport UIActions from '../actions/UIActions';\nimport ElementActions from '../actions/ElementActions';\nimport ElementStore from '../stores/ElementStore';\nimport DetailActions from '../actions/DetailActions';\nimport ResearchPlansFetcher from '../fetchers/ResearchPlansFetcher';\nimport ResearchPlansLiteratures from '../DetailsTabLiteratures';\nimport ResearchPlanWellplates from '../ResearchPlanWellplates';\nimport ResearchPlansMetadata from '../DetailsTabMetadata';\nimport Attachment from '../models/Attachment';\nimport Utils from '../utils/Functions';\nimport LoadingActions from '../actions/LoadingActions';\nimport ConfirmClose from '../common/ConfirmClose';\nimport ResearchPlan from '../models/ResearchPlan';\nimport ResearchPlanDetailsAttachments from './ResearchPlanDetailsAttachments';\nimport ResearchPlanDetailsBody from './ResearchPlanDetailsBody';\nimport ResearchPlanDetailsName from './ResearchPlanDetailsName';\nimport ResearchPlanDetailsContainers from './ResearchPlanDetailsContainers';\nimport ElementDetailSortTab from '../ElementDetailSortTab';\nimport { addSegmentTabs } from '../generic/SegmentDetails';\nimport PrivateNoteElement from '../PrivateNoteElement';\n\nexport default class ResearchPlanDetails extends Component {\n constructor(props) {\n super(props);\n const { researchPlan } = props;\n this.state = {\n researchPlan,\n update: false,\n visible: Immutable.List(),\n };\n this.handleSwitchMode = this.handleSwitchMode.bind(this);\n this.handleResearchPlanChange = this.handleResearchPlanChange.bind(this);\n this.toggleFullScreen = this.toggleFullScreen.bind(this);\n this.handleNameChange = this.handleNameChange.bind(this);\n this.handleBodyChange = this.handleBodyChange.bind(this);\n this.handleBodyAdd = this.handleBodyAdd.bind(this);\n this.handleSubmit = this.handleSubmit.bind(this);\n this.onTabPositionChanged = this.onTabPositionChanged.bind(this);\n this.handleSegmentsChange = this.handleSegmentsChange.bind(this);\n }\n\n UNSAFE_componentWillReceiveProps(nextProps) {\n const { researchPlan } = nextProps;\n this.setState({ researchPlan });\n }\n\n onTabPositionChanged(visible) {\n this.setState({ visible });\n }\n\n toggleFullScreen() {\n this.props.toggleFullScreen();\n\n // toogle update prop to notify react data grid for view change\n this.setState({ update: !this.state.update });\n }\n\n handleResearchPlanChange(el) {\n const researchPlan = el;\n researchPlan.changed = true;\n this.setState({ researchPlan });\n }\n\n handleSegmentsChange(se) {\n const { researchPlan } = this.state;\n const { segments } = researchPlan;\n const idx = findIndex(segments, o => o.segment_klass_id === se.segment_klass_id);\n if (idx >= 0) { segments.splice(idx, 1, se); } else { segments.push(se); }\n researchPlan.segments = segments;\n researchPlan.changed = true;\n this.setState({ researchPlan });\n }\n\n handleSwitchMode(mode) {\n const { researchPlan } = this.state;\n researchPlan.mode = mode;\n this.setState({ researchPlan });\n }\n\n // handle functions\n\n handleSubmit() {\n const { researchPlan } = this.state;\n LoadingActions.start();\n\n if (researchPlan.isNew) {\n ElementActions.createResearchPlan(researchPlan);\n } else {\n ElementActions.updateResearchPlan(researchPlan);\n }\n\n if (researchPlan.is_new) {\n const force = true;\n DetailActions.close(researchPlan, force);\n }\n }\n\n handleSelect(eventKey) {\n UIActions.selectTab({ tabKey: eventKey, type: 'research_plan' });\n this.setState({\n activeTab: eventKey\n });\n }\n\n // handle name actions\n\n handleNameChange(value) {\n const { researchPlan } = this.state;\n researchPlan.changed = true;\n researchPlan.name = value;\n this.setState({ researchPlan });\n }\n\n // handle body actions\n\n handleBodyChange(value, id) {\n const { researchPlan } = this.state;\n const index = researchPlan.body.findIndex(field => field.id === id);\n researchPlan.body[index].value = value;\n researchPlan.changed = true;\n this.setState({ researchPlan });\n }\n\n handleBodyDrop(source, target) {\n const { researchPlan } = this.state;\n researchPlan.body.splice(target, 0, researchPlan.body.splice(source, 1)[0]);\n researchPlan.changed = true;\n this.setState({ researchPlan });\n }\n\n handleBodyAdd(type) {\n const { researchPlan } = this.state;\n researchPlan.addBodyField(type);\n researchPlan.changed = true;\n this.setState({ researchPlan });\n }\n\n handleBodyDelete(id) {\n const { researchPlan } = this.state;\n const index = researchPlan.body.findIndex(field => field.id === id);\n researchPlan.body.splice(index, 1);\n researchPlan.changed = true;\n this.setState({ researchPlan });\n }\n\n // handle attachment actions\n\n handleAttachmentDrop(files) {\n const { researchPlan } = this.state;\n researchPlan.changed = true;\n files.forEach((file) => {\n const attachment = Attachment.fromFile(file);\n researchPlan.attachments.push(attachment);\n });\n this.setState({ researchPlan });\n }\n\n handleAttachmentDelete(attachment) {\n const { researchPlan } = this.state;\n const index = researchPlan.attachments.indexOf(attachment);\n researchPlan.changed = true;\n researchPlan.attachments[index].is_deleted = true;\n this.setState({ researchPlan });\n }\n\n handleAttachmentUndoDelete(attachment) {\n const { researchPlan } = this.state;\n const index = researchPlan.attachments.indexOf(attachment);\n researchPlan.attachments[index].is_deleted = false;\n this.setState({ researchPlan });\n }\n\n handleAttachmentDownload(attachment) { // eslint-disable-line class-methods-use-this\n Utils.downloadFile({ contents: `/api/v1/attachments/${attachment.id}`, name: attachment.filename });\n }\n\n handleAttachmentEdit(attachment) {\n const { researchPlan } = this.state;\n\n // update only this attachment\n researchPlan.attachments.map((currentAttachment) => {\n if (currentAttachment.id === attachment.id) return attachment;\n });\n this.setState({ researchPlan });\n this.forceUpdate();\n }\n\n handleExport(exportFormat) {\n const { researchPlan } = this.state;\n ResearchPlansFetcher.export(researchPlan, exportFormat);\n }\n\n handleExportField(field) {\n const { researchPlan } = this.props;\n ResearchPlansFetcher.exportTable(researchPlan, field);\n }\n\n dropWellplate(wellplate) {\n const { researchPlan } = this.state;\n researchPlan.changed = true;\n researchPlan.wellplates = unionBy(researchPlan.wellplates, [wellplate], 'id');\n this.setState({ researchPlan });\n }\n\n deleteWellplate(wellplate) {\n const { researchPlan } = this.state;\n researchPlan.changed = true;\n const wellplateIndex = researchPlan.wellplates.indexOf(wellplate);\n researchPlan.wellplates.splice(wellplateIndex, 1);\n this.setState({ researchPlan });\n }\n\n importWellplate(wellplateId) {\n const { researchPlan } = this.state;\n researchPlan.changed = true;\n\n LoadingActions.start();\n ElementActions.importWellplateIntoResearchPlan(\n researchPlan.id,\n wellplateId,\n () => {\n this.setState({ activeTab: 0 });\n LoadingActions.stop();\n }\n );\n }\n\n // eslint-disable-next-line class-methods-use-this\n newItemByType(fieldName, value, type) {\n switch (fieldName) {\n case 'description':\n return {\n description: value,\n descriptionType: type\n };\n case 'alternate_identifier':\n return {\n alternateIdentifier: value,\n alternateIdentifierType: type\n };\n case 'related_identifier':\n return {\n relatedIdentifier: value,\n relatedIdentifierType: type\n };\n default:\n return {};\n }\n }\n\n handleCopyToMetadata(id, fieldName) {\n const { researchPlan } = this.state;\n const researchPlanMetadata = researchPlan.research_plan_metadata;\n const args = { research_plan_id: researchPlanMetadata.research_plan_id };\n const index = researchPlan.body.findIndex(field => field.id === id);\n const value = researchPlan.body[index]?.value?.ops[0]?.insert?.trim() || '';\n if (fieldName === 'name') {\n researchPlanMetadata.title = researchPlan.name;\n args.title = researchPlan.name.trim();\n } else if (fieldName === 'subject') {\n researchPlanMetadata.subject = value;\n args.subject = value;\n } else {\n const type = researchPlan.body[index]?.title?.trim() || '';\n const newItem = this.newItemByType(fieldName, value, type);\n\n const currentCollection = researchPlanMetadata[fieldName] ?\n researchPlanMetadata[fieldName] : [];\n const newCollection = currentCollection.concat(newItem);\n researchPlanMetadata[fieldName] = newCollection;\n args[`${fieldName}`] = researchPlanMetadata[fieldName];\n }\n\n ResearchPlansFetcher.postResearchPlanMetadata(args).then((result) => {\n if (result.error) {\n alert(result.error);\n }\n });\n }\n\n handleAttachmentImportComplete() {\n this.setState({ activeTab: 0 });\n }\n // render functions\n\n renderExportButton(disabled) {\n return (\n \n {btnMode}\n
\n {this.renderResearchPlanMain(researchPlan, update)}\n \n \n \n \n Sample\n \n \n \n \n \n \n \n \n Reaction\n \n \n \n \n \n
\n);\n\nconst toggleSiRxnSettings = (text, checked) => {\n ReportActions.updateSiRxnSettings({ text, checked });\n};\n\nconst toggleSiRxnSettingsAll = () => {\n ReportActions.toggleSiRxnSettingsCheckAll();\n};\n\nconst suiSetting = ({ siRxnSettings, checkedAllSiRxnSettings }) => (\n \n \n \n \n Synthesis Products Information\n \n \n \n \n \n
\n);\n\nconst spcSetting = () => (\n \n
\n);\n\nconst rxlSetting = () => (\n Not applicable.
\n\n
\n);\n\nconst Setting = (props) => {\n switch (props.template.value) {\n case 'standard':\n return stdSetting(props);\n case 'spectrum':\n return spcSetting();\n case 'supporting_information':\n case 'supporting_information_std_rxn':\n return suiSetting(props);\n case 'rxn_list_xlsx':\n case 'rxn_list_csv':\n case 'rxn_list_html':\n return rxlSetting(props);\n default:\n return stdSetting(props);\n }\n};\n\nexport default Setting;\n","import React, {Component} from 'react'\nimport SVG from 'react-inlinesvg';\nimport {Alert, Label, Table, Tooltip, OverlayTrigger} from 'react-bootstrap';\nimport QuillViewer from '../QuillViewer';\nimport { map } from 'lodash';\n\nconst SectionReaction = ({reaction, settings, configs}) => {\n const {description, literatures, starting_materials, reactants,\n products, solvents, solvent, dangerous_products, purification,\n observation, svgPath, tlc_description,\n tlc_solvents, rf_value, status } = reaction;\n const dangerousProducts = dangerous_products;\n\n const has_analyses = products.map( sample => {\n if(sample.analyses.length != 0) {\n return true;\n }\n }).filter(r => r!=null).length != 0;\n\n const showPuri = settings.purification\n && purification\n && purification.length !== 0;\n\n const showDang = settings.dangerouspro\n && dangerousProducts\n && dangerousProducts.length !== 0;\n\n return (\n Not applicable.
\n\n {reaction.short_label}\n \n \n\n
\n
\n
\n )\n}\n\nconst SVGContent = ({show, svgPath, products, isProductOnly}) => {\n const productsSvg = products.map(s => {\n const svg = s.svgPath;\n return (Description
\n\n
\n
| Formula | \nMass(g) | \nVol(ml) | \nAmount(mmol) | \nEquiv/Yield | \n
|---|
\n \n
\n : null\n );\n};\n\nconst SolventContent = ({ show, solvents, solvent }) => {\n const volume = (s) => {\n if (s.amount_l) {\n return `(${s.amount_l * 1000}ml)`;\n }\n return '(0.0ml)';\n };\n\n const separator = (idx, last) => (\n idx === last ? '' : ', '\n );\n\n const solventsData = () => {\n const last = solvents.length - 1;\n return solvents.map((s, i) => (\n {table(rows(starting_materials, false))}
\n \n {table(rows(reactants, false))}
\n \n {table(rows(products, true))}
\n \n {s.preferred_label + volume(s) + separator(i, last)}\n \n ));\n };\n\n const solventData = () => (\n {solvent}\n );\n\n const displayContent = () => (\n solvents.length !== 0 ? solventsData() : solventData()\n );\n\n return (\n show\n ? \n
\n : null\n );\n};\n\nconst DescriptionContent = ({show, description}) => {\n return show ? Solvent(s):
\n {displayContent()}\n\n
\n : null\n );\n};\n\nconst DangerourProductsContent = ({ show, dang }) => {\n const dangText = typeof dang === 'object' ? dang.join(', ') : dang;\n return (\n show\n ? Type of Purification:
\n\n {puriText}\n \n \n
\n : null\n );\n};\n\nconst TLCContent = ({show, tlcDescription, tlcSolvents, rfValue}) => (\n show\n ? Dangerous Products:
\n{dangText}\n \n
\n : null\n);\n\nconst ObservationContent = ({show, observation}) => {\n return (\n show\n ? \n
\n TLC - Control
\n\n Rf-value: {rfValue} (Solvent: {tlcSolvents})\n \n \n {tlcDescription}\n
\n \n
\n : null\n )\n}\n\nconst AnalysesContent = ({ show, products }) => {\n const analyses = products.map((product, i) => (\n product.analyses.map((analysis, j) => {\n const content = analysis && analysis.extended_metadata\n ? JSON.parse(analysis.extended_metadata.content)\n : {};\n const kind = analysis.kind ? `(${analysis.kind})` : '';\n return (\n analysis\n ? Additional information for publication and purification details
\n\n
\n
\n : null\n );\n })\n ));\n return (\n show\n ? \n
\n {product.molecule.sum_formular} ({kind})
\n\n
\n {analysis.description}
\n\n
\n
\n : null\n );\n};\n\nconst LiteratureContent = ({show, literatures}) => {\n const rows = map(literatures,(literature, i) => {\n return (\n Analysis
\n{analyses}
\n | Title | \nURL | \n
|---|
\n
\n : null\n )\n}\n\nexport { SectionReaction, SVGContent, DescriptionContent };\n","import React, {Component} from 'react'\nimport SVG from 'react-inlinesvg';\nimport {Alert, Label, Table, Tooltip, OverlayTrigger} from 'react-bootstrap';\nimport QuillViewer from '../QuillViewer'\n\nconst SectionSample = ({sample, settings, configs}) => {\n const { short_label, molecule_iupac_name, svgPath, analyses,\n reaction_description, name, external_label } = sample;\n\n return (\n Literatures
\n {table}
\n \n {`${molecule_iupac_name} (${name || external_label || short_label})`}\n \n\n
\n );\n};\n\nconst SVGContent = ({show, svgPath}) => {\n if(!show) { return null; }\n return \n}\n\nconst AnalysesContent = ({show, showRecDes, analyses, reactionDescription}) => {\n const isReDesObj = typeof reactionDescription === \"object\";\n const init = showRecDes && isReDesObj ? reactionDescription.ops : [];\n const analysesParagraph = () => {\n const dataMerged = analyses.reduce( (sum, a) => {\n let defaultContent = \"{\\\"ops\\\":[{\\\"insert\\\":\\\"\\\"}]}\"\n\n let contentJSON = JSON.parse(a.extended_metadata.content || defaultContent)\n return [...sum, ...contentJSON.ops];\n } , init);\n const data = dataMerged.map(d => {\n d.insert = d.insert.replace(/\\n/g,' ');\n return d;\n });\n return { ops: data };\n };\n\n return (\n show\n ? \n {
\n : null\n );\n}\n\nexport default SectionSample;\n","import React from 'react';\nimport { SVGContent, DescriptionContent } from './SectionReaction';\nimport { rmDeltaRedundantSpaceBreak } from '../utils/quillFormat';\n\nconst Title = ({el, counter}) => {\n return (\n \n 3.{counter} {el.name} ({el.short_label})\n
\n );\n}\n\nconst ProcedureRow = ({el, counter}) => {\n const clean_desc = rmDeltaRedundantSpaceBreak(el.description);\n return (\n\n
\n );\n}\n\nconst SectionSiProcedures = ({ previewObjs }) => {\n let counter = 0;\n const contents = previewObjs.map( obj => {\n if(obj.type === 'reaction' && obj.role === 'gp') {\n counter += 1;\n return (\n \n {contents}\n
\n );\n}\n\nexport default SectionSiProcedures;\n","import React from 'react';\nimport _ from 'lodash';\nimport { SVGContent } from './SectionReaction';\nimport QuillViewer from '../QuillViewer';\nimport { fixDigit, validDigit } from '../utils/MathUtils';\nimport { rmOpsRedundantSpaceBreak, frontBreak } from '../utils/quillFormat';\nimport ArrayUtils from '../utils/ArrayUtils';\nimport { Alphabet } from '../utils/ElementUtils';\nimport { UserSerial } from '../utils/ReportHelper';\n\nconst onlyBlank = (target) => {\n if (target.length === 0) return true;\n const content = target.map(t => t.insert).join('').replace(/\\s+/, '');\n return !content;\n};\n\nconst deltaUserSerial = (molecule, molSerials) => {\n const insert = UserSerial(molecule, molSerials);\n return { insert, attributes: { bold: 'true' } };\n};\n\nconst Title = ({ el, counter, molSerials }) => {\n let title = [];\n el.products.forEach((p, i) => {\n const us = UserSerial(p.molecule, molSerials);\n const key = `${i}-text`;\n const comma = , ;\n const smn = p.showedName();\n title = smn\n ? [...title, {smn} ({us}), comma]\n : [...title, "NAME" ({us}), comma];\n });\n title = _.flatten(title).slice(0, -1);\n\n return (\n \n {title}\n
\n );\n};\n\nconst deltaSampleMoleculeName = (s) => {\n const smn = s.showedName();\n if (smn) {\n return { insert: smn };\n }\n return { attributes: { bold: 'true' }, insert: '\"NAME\"' };\n};\n\nconst isDisableAll = (settings) => {\n let status = false;\n const settingKeys = Object.keys(settings);\n settingKeys.forEach((key) => {\n status = status || settings[key];\n });\n return !status;\n};\n\nconst productEA = (p) => {\n let ea = [];\n p.elemental_compositions.forEach((ec) => {\n if (ec.description === 'By molecule formula') {\n for (let [k, v] of Object.entries(ec.data)) {\n ea = [...ea, `${k}, ${v}`];\n }\n }\n return null;\n });\n ea = ea.filter(r => r != null).join('; ');\n return ea;\n};\n\nconst prdIdentifier = (counter, mol, molSerials) => (\n [\n { insert: `{P${counter}|` },\n deltaUserSerial(mol, molSerials),\n { insert: '}' },\n ]\n);\n\nconst productContent = (products, settings, molSerials) => {\n let content = [];\n let counter = 0;\n\n products.forEach((p) => {\n const m = p.molecule;\n const ea = productEA(p);\n counter += 1;\n\n const cas = p.xref && p.xref.cas ? p.xref.cas.value : '- ';\n const deltaName = settings.Name ? [\n { insert: 'Name ' },\n ...prdIdentifier(counter, m, molSerials),\n { insert: ': ' },\n deltaSampleMoleculeName(p),\n { insert: '; ' },\n ] : [];\n\n const pFormula = settings.Formula ? `Formula: ${m.sum_formular}; ` : '';\n const pCAS = settings.CAS ? `CAS: ${cas}; ` : '';\n const pMMass = settings.MolecularMas\n ? `Molecular Mass: ${fixDigit(m.molecular_weight, 4)}; ` : '';\n const pEMass = settings.ExactMass\n ? `Exact Mass: ${fixDigit(m.exact_molecular_weight, 4)}; ` : '';\n const pEA = settings.EA ? `EA: ${ea}.` : '';\n\n const pSmiles = `Smiles: ${m.cano_smiles}`;\n const pInChI = `InChIKey: ${m.inchikey}`;\n const dSmiles = settings.Smiles\n ? [{ insert: pSmiles }, { insert: '\\n' }]\n : [];\n const dInChI = settings.InChI\n ? [{ insert: pInChI }, { insert: '\\n' }]\n : [];\n\n content = [...content, ...deltaName,\n { insert: pFormula + pCAS + pMMass + pEMass + pEA },\n { insert: '\\n' },\n ...dSmiles,\n ...dInChI,\n { insert: '\\n' },\n ];\n });\n return content;\n};\n\nconst ProductsInfo = ({ products = [], settings, molSerials }) => {\n const disableAll = isDisableAll(settings);\n if (disableAll) return null;\n\n const content = productContent(products, settings, molSerials);\n return\n
\n);\n\nconst SectionSiSynthesis = ({\n previewObjs, configs, molSerials, settings,\n}) => {\n let counter = 0;\n const contents = previewObjs.map((obj) => {\n if (obj.type === 'reaction' && obj.role !== 'gp') {\n counter += 1;\n return (\n \n {contents}\n
\n );\n};\n\nexport default SectionSiSynthesis;\n","import React, { Component } from 'react';\nimport _ from 'lodash';\nimport ReportActions from '../actions/ReportActions';\n\nconst TitleProduct = ({ prd, molSerials }) => {\n const molId = prd.molId;\n const serial = molSerials.map((ms) => {\n if (molId === ms.mol.id) {\n return ms.value;\n }\n return null;\n }).filter(r => r !== null)[0];\n const serialContent = serial ? `${serial}` : 'xx';\n\n return (\n \n [{serialContent}] { prd.showedName }\n
\n );\n};\n\nconst Thumbnail = ({ thumb }) => {\n const noAvaSvg = '/images/wild_card/not_available.svg';\n const thumbImg = `data:image/png;base64,${thumb}`;\n const previewImg = thumb ? thumbImg : noAvaSvg;\n return\n
\n );\n });\n\n return (\n {att.kind}
\n \n {contents}\n
\n );\n};\n\nconst RowProduct = ({ prd, molSerials, attThumbNails }) => (\n \n
\n);\n\nclass SectionSpectrum extends Component {\n componentDidMount() {\n this.updateThumbNails();\n }\n\n shouldComponentUpdate(nextProps) {\n const prevProps = this.props;\n const isChanged = !_.isEqual(prevProps, nextProps);\n return isChanged;\n }\n\n UNSAFE_componentWillUpdate() {\n this.updateThumbNails();\n }\n\n updateThumbNails() {\n const { prdAtts } = this.props;\n const attArrIds = prdAtts.map(prdAtt => (\n prdAtt.atts.map(att => (\n att.thumbnail ? null : att.id\n ))\n ));\n const attIds = _.flattenDeep(attArrIds).filter(r => r !== null);\n if (attIds.length > 0) {\n ReportActions.updateThumbNails(attIds);\n }\n }\n\n renderContents() {\n const { molSerials, prdAtts, attThumbNails } = this.props;\n\n const contents = prdAtts.map((prd, idx) => {\n const key = `${idx}-${prd.sum_formular}`;\n return (\n \n
\n );\n });\n return contents;\n }\n\n render() {\n return (\n \n { this.renderContents() }\n
\n );\n }\n}\n\nexport default SectionSpectrum;\n","import React from 'react';\nimport { Table, Tooltip, OverlayTrigger } from 'react-bootstrap';\nimport { UserSerial } from '../utils/ReportHelper';\n\nconst rlRowTp = (content, rowId) => (\n { content }
\n{ content ? content.substring(0, 15) : '' }
\n\n \n { tableHeader() }\n { tableBody(objs, molSerials) }\n
\n
\n);\n\nexport default SectionReactionList;\n","import React from 'react';\nimport _ from 'lodash';\nimport { SVGContent } from './SectionReaction';\nimport QuillViewer from '../QuillViewer';\nimport { fixDigit, validDigit } from '../utils/MathUtils';\nimport { rmOpsRedundantSpaceBreak, frontBreak } from '../utils/quillFormat';\nimport ArrayUtils from '../utils/ArrayUtils';\nimport { Alphabet } from '../utils/ElementUtils';\nimport { UserSerial, CapitalizeFirstLetter } from '../utils/ReportHelper';\n\nconst onlyBlank = (target) => {\n if (target.length === 0) return true;\n const content = target.map(t => t.insert).join('').replace(/\\s+/, '');\n return !content;\n};\n\nconst deltaUserSerial = (molecule, molSerials) => {\n const insert = UserSerial(molecule, molSerials);\n return { insert, attributes: { bold: 'true' } };\n};\n\nconst Title = ({ el, counter, molSerials }) => {\n let title = [];\n el.products.forEach((p, i) => {\n const us = UserSerial(p.molecule, molSerials);\n const key = `${i}-text`;\n const comma = , ;\n const smn = i == 0 ? CapitalizeFirstLetter(p.showedName()) : p.showedName();\n title = smn\n ? [...title, {smn} ({us}), comma]\n : [...title, "NAME" ({us}), comma];\n });\n title = _.flatten(title).slice(0, -1);\n\n return (\n * Images are hidden in the preview.
\n\n {title}\n
\n );\n};\n\nconst deltaSampleMoleculeName = (s) => {\n const smn = s.showedName();\n if (smn) {\n return { insert: smn };\n }\n return { attributes: { bold: 'true' }, insert: '\"NAME\"' };\n};\n\nconst isDisableAll = (settings) => {\n let status = false;\n const settingKeys = Object.keys(settings);\n settingKeys.forEach((key) => {\n status = status || settings[key];\n });\n return !status;\n};\n\nconst productEA = (p) => {\n let ea = [];\n p.elemental_compositions.forEach((ec) => {\n if (ec.description === 'By molecule formula') {\n for (let [k, v] of Object.entries(ec.data)) {\n ea = [...ea, `${k}, ${v}`];\n }\n }\n return null;\n });\n ea = ea.filter(r => r != null).join('; ');\n return ea;\n};\n\nconst prdIdentifier = (counter, mol, molSerials) => (\n [\n { insert: `{P${counter}|` },\n deltaUserSerial(mol, molSerials),\n { insert: '}' },\n ]\n);\n\nconst productContent = (products, settings, molSerials) => {\n let content = [];\n let counter = 0;\n\n products.forEach((p) => {\n const m = p.molecule;\n const ea = productEA(p);\n counter += 1;\n\n const cas = p.xref && p.xref.cas ? p.xref.cas.value : '- ';\n const deltaName = settings.Name ? [\n { insert: 'Name ' },\n ...prdIdentifier(counter, m, molSerials),\n { insert: ': ' },\n deltaSampleMoleculeName(p),\n { insert: '; ' },\n ] : [];\n\n const pFormula = settings.Formula ? `Formula: ${m.sum_formular}; ` : '';\n const pCAS = settings.CAS ? `CAS: ${cas}; ` : '';\n const pMMass = settings.MolecularMas\n ? `Molecular Mass: ${fixDigit(m.molecular_weight, 4)}; ` : '';\n const pEMass = settings.ExactMass\n ? `Exact Mass: ${fixDigit(m.exact_molecular_weight, 4)}; ` : '';\n const pEA = settings.EA ? `EA: ${ea}.` : '';\n\n const pSmiles = `Smiles: ${m.cano_smiles}`;\n const pInChI = `InChIKey: ${m.inchikey}`;\n const dSmiles = settings.Smiles\n ? [{ insert: pSmiles }, { insert: '\\n' }]\n : [];\n const dInChI = settings.InChI\n ? [{ insert: pInChI }, { insert: '\\n' }]\n : [];\n\n content = [...content, ...deltaName,\n { insert: pFormula + pCAS + pMMass + pEMass + pEA },\n { insert: '\\n' },\n ...dSmiles,\n ...dInChI,\n { insert: '\\n' },\n ];\n });\n return content;\n};\n\nconst ProductsInfo = ({ products = [], settings, molSerials }) => {\n const disableAll = isDisableAll(settings);\n if (disableAll) return null;\n\n const content = productContent(products, settings, molSerials);\n return\n
\n);\n\nconst SectionSiSynthesis = ({\n previewObjs, configs, molSerials, settings,\n}) => {\n let counter = 0;\n const contents = previewObjs.map((obj) => {\n if (obj.type === 'reaction' && obj.role !== 'gp') {\n counter += 1;\n return (\n \n {contents}\n
\n );\n};\n\nexport default SectionSiSynthesis;\n","import React from 'react';\nimport { SectionReaction } from './SectionReaction';\nimport SectionSample from './SectionSample';\nimport SectionSiProcedures from './SectionSiProcedures';\nimport SectionSiSynthesis from './SectionSiSynthesis';\nimport SectionSpectrum from './SectionSpectrum';\nimport SectionReactionList from './SectionReactionList';\nimport SectionSiSynthesisStdRxn from './SectionSiSynthesisStdRxn';\n\nconst objToKeyValPairs = (obj = []) => (\n obj.reduce((ob, { text, checked }) => {\n const o = ob;\n const oTitle = text.replace(/\\s+/g, '').substring(0, 12);\n o[oTitle] = checked;\n return o;\n }, {})\n);\n\nconst stdPreviews = ({\n previewObjs,\n splSettings,\n rxnSettings,\n configs\n}) => {\n const splSettingsPairs = objToKeyValPairs(splSettings);\n const rxnSettingsPairs = objToKeyValPairs(rxnSettings);\n const configsPairs = objToKeyValPairs(configs);\n\n const objs = previewObjs.map((obj, i) => (\n obj.type === 'sample'\n ? {objs}
\n );\n};\n\nconst suiPreviews = ({ previewObjs, configs, molSerials, siRxnSettings }) => {\n const configsPairs = objToKeyValPairs(configs);\n const setPairs = objToKeyValPairs(siRxnSettings);\n\n return (\n \n
\n
\n
\n
\n
\n
\n );\n};\n\nconst suiStdRxnPreviews = ({ previewObjs, configs, molSerials, siRxnSettings }) => {\n const configsPairs = objToKeyValPairs(configs);\n const setPairs = objToKeyValPairs(siRxnSettings);\n\n return (\n Experimental Part:
\n\n
1 Versions
\nVersion InChI (1.04), Version SMILES (Daylight)
\n\n
2 General remarks
\n\n
3 General procedures
\n\n
4 Synthesis
\n\n
\n
\n
\n
\n
\n
\n
\n );\n};\n\nconst spcPreviews = ({ prdAtts, molSerials, attThumbNails }) => (\n Experimental Part:
\n\n
1 Versions
\nVersion InChI (1.04), Version SMILES (Daylight)
\n\n
2 General remarks
\n\n
3 General procedures
\n\n
4 Synthesis
\n\n
\n
\n
\n);\n\nconst rxlPreviews = ({ previewObjs, molSerials }) => (\n \n
\n { previewsContent(props) }\n
\n);\n\nexport default Previews;\n","import React from 'react';\nimport SVG from 'react-inlinesvg';\nimport { DragSource, DropTarget } from 'react-dnd';\nimport { compose } from 'redux';\nimport { Panel, Button } from 'react-bootstrap';\nimport DragDropItemTypes from '../DragDropItemTypes';\nimport ReportActions from '../actions/ReportActions';\nimport UIActions from '../actions/UIActions';\n\nconst orderSource = {\n beginDrag(props) {\n return { id: props.id, type: props.element.type };\n },\n};\n\nconst orderTarget = {\n drop(targetProps, monitor) {\n const targetTag = { id: targetProps.id, type: targetProps.element.type };\n const sourceProps = monitor.getItem();\n const sourceTag = { id: sourceProps.id, type: sourceProps.type };\n if (targetTag.type !== sourceTag.type || targetTag.id !== sourceTag.id) {\n ReportActions.move({ sourceTag, targetTag });\n }\n },\n};\n\nconst orderDragCollect = (connect, monitor) => (\n {\n connectDragSource: connect.dragSource(),\n isDragging: monitor.isDragging(),\n }\n);\n\nconst orderDropCollect = (connect, monitor) => (\n {\n connectDropTarget: connect.dropTarget(),\n isOver: monitor.isOver(),\n canDrop: monitor.canDrop(),\n }\n);\n\nconst headerTitle = (el, icon) => {\n const clickToRm = () => {\n ReportActions.remove({ type: el.type, id: el.id });\n UIActions.uncheckWholeSelection.defer();\n };\n\n return (\n \n {el.title()} {icon}\n \n \n {headerTitle(element, icon)} \n
,\n );\n};\n\nexport default compose(\n DragSource(DragDropItemTypes.GENERAL, orderSource, orderDragCollect),\n DropTarget(DragDropItemTypes.GENERAL, orderTarget, orderDropCollect),\n)(ObjRow);\n","import React from 'react';\nimport ObjRow from './OrdersDnD';\n\nconst allContent = ({ selectedObjs, template }) => (\n selectedObjs.map(obj => (\n \n
\n \n \n \n
\n \n
\n \n { ordersContent(props) }\n
\n);\n\nexport default Orders;\n","import React, { Component } from 'react';\n\nexport default class CommonInput extends Component {\n constructor(props) {\n super(props);\n this.state = {\n value: props.value,\n };\n\n this.onBlur = this.onBlur.bind(this);\n this.onChange = this.onChange.bind(this);\n }\n\n onBlur(e) {\n this.props.onCompleteEdit(e.target.value);\n }\n\n onChange(e) {\n this.setState({ value: e.target.value });\n }\n\n render() {\n const { placeholder } = this.props;\n const { value } = this.state;\n\n return (\n \n
\n {counter + 1}
\n \n \n
\n \n
\n {mol.iupacName}
\n\n
\n Not applicable.
);\n\nconst suiSerials = (props) => {\n const { selMolSerials, template } = props;\n const contents = selMolSerials.map((molSer, i) => (\n{contents}
;\n};\n\nconst spcSerials = props => suiSerials(props);\n\nconst rxlSerials = props => suiSerials(props);\n\nconst Serials = (props) => {\n switch (props.template.value) {\n case 'standard':\n return stdSerials();\n case 'spectrum':\n return spcSerials(props);\n case 'supporting_information':\n case 'supporting_information_std_rxn':\n return suiSerials(props);\n case 'rxn_list_xlsx':\n case 'rxn_list_csv':\n case 'rxn_list_html':\n return rxlSerials(props);\n default:\n return stdSerials();\n }\n};\n\nexport default Serials;\n","import React from 'react';\nimport {\n Button,\n Label,\n PanelGroup,\n Panel,\n OverlayTrigger,\n Tooltip\n} from 'react-bootstrap';\nimport ReportActions from '../actions/ReportActions';\nimport LoadingActions from '../actions/LoadingActions';\nimport UIActions from '../actions/UIActions';\nimport { stopBubble } from '../utils/DomHelper';\n\nconst fileDescription = archive => (\n archive.file_description\n ? {archive.file_description}
\n :No file description
\n);\n\nconst clickDownloadReport = (e, archiveId, template) => {\n e.stopPropagation();\n ReportActions.downloadReport(archiveId, template);\n};\n\nconst reportStatusBtn = (archive) => {\n const { downloadable, id, template } = archive;\n const onClickDownloadReport = e => clickDownloadReport(e, id, template);\n const downloadTP =\n {archive.file_name} {newLabel} {templateLable(archive)}\n
\n );\n};\n\nconst Archives = ({ archives }) => {\n const content = archives.map((archive, index) => (\n \n {cloneBtn(archive)}\n \n {reportStatusBtn(archive)}\n \n {deleteBtn(archive)}\n
\n \n WARNING: EPS format is not supported by Microsoft Office\n
\n : null\n);\n\nconst onImgFormatChange = (e) => {\n ReportActions.updateImgFormat(e.value);\n};\n\nconst ImgFormat = ({ imgFormat }) => (\nMax 40 characters.
\nallowed: a to z, A to Z, 0 to 9, -, _
\n\n
\n {TemplateRender(template, options)}\n
\n
\n );\n};\n\nconst suiStdRxnConfig = ({\n template, configs, fileName, checkedAllConfigs, fileDescription, options\n}) => {\n const filteredConfigs = configs.filter(c => c.text === 'Show all chemicals in schemes (unchecked to show products only)');\n return (\n \n {TemplateRender(template, options)}\n
\n
\n
\n {TemplateRender(template, options)}\n
\n
\n );\n};\n\nconst stdConfig = ({\n template,\n configs,\n fileName,\n checkedAllConfigs,\n imgFormat,\n fileDescription,\n options\n}) => (\n \n {TemplateRender(template, options)}\n
\n
\n
\n {TemplateRender(template, options)}\n
\n
\n);\n\nconst spcConfig = ({\n template,\n fileName,\n fileDescription,\n options\n}) => (\n \n {TemplateRender(template, options)}\n
\n
\n
\n {TemplateRender(template, options)}\n
\n
\n);\n\nconst rxlConfig = props => spcConfig(props);\n\nconst Config = (props) => {\n switch (props.template.value) {\n case 'standard':\n return stdConfig(props);\n case 'spectrum':\n return spcConfig(props);\n case 'supporting_information':\n return suiConfig(props);\n case 'supporting_information_std_rxn':\n return suiStdRxnConfig(props);\n case 'rxn_list_xlsx':\n case 'rxn_list_csv':\n case 'rxn_list_html':\n return rxlConfig(props);\n default:\n return stdConfig(props);\n }\n};\n\nexport default Config;\n","import React from 'react';\n\nconst PanelHeader = ({ title, btns }) => {\n return (\n \n {TemplateRender(template, options)}\n
\n
\n {title}\n
\n );\n};\n\nexport default PanelHeader;\n","const objTags = selectedObjs => (\n selectedObjs.map(obj => ({ id: obj.id, type: obj.type }))\n);\n\nconst abstractSettings = settings => (\n settings.map(obj => (\n { text: obj.text.replace(' ', '_'), checked: obj.checked }\n ))\n);\n\nconst abstractConfigs = configs => (\n configs.map((obj) => {\n switch (obj.text) {\n case 'Page Break':\n return { text: 'page_break', checked: obj.checked };\n case 'Show all chemicals in schemes (unchecked to show products only)':\n if (obj.checked) {\n return { text: 'whole_diagram', checked: obj.checked };\n }\n return { text: 'product_diagram', checked: !obj.checked };\n default:\n return obj;\n }\n })\n);\n\nconst paramize = (state) => {\n const {\n selectedObjs, splSettings, rxnSettings, configs, selMolSerials,\n fileName, fileDescription, imgFormat, template, siRxnSettings,\n prdAtts\n } = state;\n\n const params = {\n objTags: JSON.stringify(objTags(selectedObjs)),\n splSettings: JSON.stringify(abstractSettings(splSettings)),\n rxnSettings: JSON.stringify(abstractSettings(rxnSettings)),\n siRxnSettings: JSON.stringify(siRxnSettings),\n configs: JSON.stringify(abstractConfigs(configs)),\n prdAtts: JSON.stringify(prdAtts),\n imgFormat: imgFormat?.value || imgFormat || 'png',\n fileName,\n fileDescription,\n templateId: template.id || template,\n molSerials: JSON.stringify(selMolSerials),\n };\n\n return params;\n};\n\nexport default paramize;\n","import React from 'react';\nimport { Button } from 'react-bootstrap';\nimport ReportActions from '../actions/ReportActions';\nimport UIActions from '../actions/UIActions';\nimport DetailActions from '../actions/DetailActions';\nimport paramize from './Paramize';\n\nconst clickToClose = (report) => {\n DetailActions.close(report);\n};\n\nconst CloseBtn = ({ report }) => {\n const onClickToClose = () => clickToClose(report);\n\n return (\n \n {btns}\n
\n \n
\n \n
\n \n
\n \n
\n This {element.type} does not have any analysis.
\n );\n }\n\n return (\n\n {'Graph'}\n
\n );\n\n return (\n \n \n \n \n
\n \n \n \n \n
\n | Sample | \nStatus | \nUpdated at | \nActions | \n
|---|
| \n | \n | \n \n | \n
| {sameElement ? null : | \n \n | \n \n | \n
| \n | \n \n |
| \n | \n \n |
\n
\n );\n }\n\n return (\n els.map(el => (\n Please select samples.
\n\n \n
\n ))\n );\n};\n\nconst ContentInputs = (template, els) => {\n const titleFromTemplate = (tpl) => ({\n 'predictProducts': 'Input: Starting Materials (accept max 10 molecules)',\n 'predictReactants': 'Input: Product (accept max 1 molecule)',\n })[tpl]\n const titleStr = titleFromTemplate(template) || 'TBD';\n\n return (\n { el.molecule_iupac_name }
\n{ el.molecule_cano_smiles }
\n\n { contentBlock(els) }\n
\n \n \n \n \n Rank { el.rank }: { el.smiles.join('.') }\n \n \n \n
\n ))\n);\n\nconst ContentOutputs = (template, outputEls) => {\n const titleFromTemplate = (tpl) => ({\n 'predictProducts': 'Output: Products',\n 'predictReactants': 'Output: Starting Materials',\n })[tpl]\n const titleStr = titleFromTemplate(template) || 'TBD';\n\n return (\n \n { contentBlock(outputEls) }\n
\n \n
\n { ContentTemplate(template) }\n { ContentInputs(template, els) }\n
\n { ContentOutputs(template, outputEls) }\n
\n);\n\nContent.propTypes = {\n template: PropTypes.string.isRequired,\n els: PropTypes.array.isRequired, // eslint-disable-line react/forbid-prop-types\n outputEls: PropTypes.array.isRequired, // eslint-disable-line react/forbid-prop-types\n};\n\nexport default Content;\n","import React from 'react';\nimport PropTypes from 'prop-types';\nimport { Button } from 'react-bootstrap';\nimport PredictionActions from '../actions/PredictionActions';\nimport UIActions from '../actions/UIActions';\nimport DetailActions from '../actions/DetailActions';\nimport LoadingActions from '../actions/LoadingActions';\n\nconst clickToClose = (el) => {\n DetailActions.close(el);\n};\n\nconst CloseBtn = ({ el }) => {\n const onClickToClose = () => clickToClose(el);\n\n return (\n \n { ContentTemplate(template) }\n { ContentInputs(template, els) }\n
\n { ContentOutputs(template, outputEls) }\n
\n {container.name}\n {(container.extended_metadata['kind'] && container.extended_metadata['kind'] !== '') ?\n (` - Type: ${container.extended_metadata['kind'].split('|')[1] || container.extended_metadata['kind']}`) : ''}\n {(container.extended_metadata['status'] && container.extended_metadata['status'] !== '') ? (` - Status: ${container.extended_metadata['status']}`) : ''}\n
\n {container.name}\n {(container.extended_metadata['kind'] && container.extended_metadata['kind'] !== '') ?\n (` - Type: ${container.extended_metadata['kind'].split('|')[1] || container.extended_metadata['kind']}`) : ''}\n {(container.extended_metadata['status'] && container.extended_metadata['status'] !== '') ? (` - Status: ${container.extended_metadata['status']}`) : ''}\n \n \n
\n \n {analyses_container[0].children.map((container, key) => {\n if (container.is_deleted) {\n return (\n \n {containerHeaderDeleted(container)} \n \n );\n }\n return (\n this.handleAccordionOpen(key)}>\n {containerHeader(container)} \n \n this.handleChange(c)}\n />\n \n \n );\n }\n )}\n \n
\n );\n }\n return (\n {this.addButton()}
\n\n
\n );\n }\n return (\n \n There are currently no Analyses.\n {this.addButton()}\n
\n\n
\n );\n }\n}\n\nGenericElDetailsContainers.propTypes = {\n readOnly: PropTypes.bool,\n parent: PropTypes.object,\n genericEl: PropTypes.object,\n};\n","import React, { Component } from 'react';\nimport PropTypes from 'prop-types';\nimport Dropzone from 'react-dropzone';\nimport { FormGroup, Button, Row, Col, Tooltip, ControlLabel, ListGroup, ListGroupItem, OverlayTrigger } from 'react-bootstrap';\nimport { last, findKey, values } from 'lodash';\nimport EditorFetcher from '../fetchers/EditorFetcher';\nimport ImageModal from '../common/ImageModal';\nimport SpinnerPencilIcon from '../common/SpinnerPencilIcon';\nimport { previewAttachmentImage } from './../utils/imageHelper';\nimport Utils from '../utils/Functions';\nimport NotificationActions from '../actions/NotificationActions';\n\nconst editorTooltip = exts => \n There are currently no Analyses.\n
\n\n \n {attachment.filename}\n
\n
\n );\n }\n return (\n \n \n \n Utils.downloadFile({ contents: `/api/v1/attachments/${attachment.id}`, name: attachment.filename })}\n >\n \n \n \n \n \n \n \n
\n
\n );\n }\n\n renderAttachments() {\n const { attachments } = this.props;\n if (attachments && attachments.length > 0) {\n return (\n \n
\n \n \n
\n There are currently no Datasets.
\n );\n }\n\n renderDropzone() {\n const { onDrop } = this.props;\n return (\n \n onDrop(files)} className=\"zone\">\n Drop Files, or Click to Select.\n \n
\n );\n }\n\n render() {\n return (\n \n
\n );\n }\n\n propertiesTab(ind) {\n const genericEl = this.state.genericEl || {};\n return (\n \n \n {reloadBtn}\n {hisBtn}\n \n
\n {layersLayout}\n \n {datetp}}>\n {genericEl.short_label} \n \n FullScreen}>\n \n \n Save}\n >\n this.handleSubmit()}\n style={{ display: saveBtnDisplay }}\n >\n \n \n \n
\n );\n }\n\n render() {\n const { genericEl } = this.state;\n const submitLabel = (genericEl && genericEl.isNew) ? 'Create' : 'Save';\n const saveBtnDisplay = ((genericEl && genericEl.isNew) || (genericEl && genericEl.changed) || false) ? { display: '' } : { display: 'none' };\n\n let tabContents = [\n i => this.propertiesTab(i),\n i => this.containersTab(i),\n i => this.attachmentsTab(i),\n ];\n\n const tablen = tabContents.length;\n const segTabs = SegmentTabs(genericEl, this.handleSegmentsChange, tablen);\n tabContents = tabContents.concat(segTabs);\n\n return (\n \n
\n
\n DetailActions.close(el, true)}\n >\n Close this window\n \n
\n );\n }\n }\n\n tabTitle(el, elKey) {\n const bsStyle = el.isPendingToSave ? 'info' : 'primary';\n const focusing = elKey === this.state.activeKey;\n\n let iconElement = ();\n\n const tab = tabInfoHash[el.type] || {};\n const title = tab.title || el.title();\n if (tab.iconEl) { iconElement = tab.iconEl; }\n if (el.element_klass) { iconElement = (); }\n const icon = focusing ? (iconElement) : ();\n return (\n
{el.id.substring(el.id.indexOf('error:') + 6)}
\n\n
{icon} {title}
);\n }\n\n render() {\n const {\n fullScreen, selecteds, activeKey, offsetTop\n } = this.state;\n const fScrnClass = fullScreen ? 'full-screen' : 'normal-screen';\n\n const selectedElements = selecteds.map((el, i) => {\n if (!el) return ();\n const key = `${el.type}-${el.id}`;\n return (\n \n \n \n
\n );\n }\n}\n\n// ElementDetails.propTypes = {\n// currentElement: PropTypes.shape.isRequired\n// };\n","import React, { Component } from 'react';\nimport { Col } from 'react-bootstrap';\n\nimport List from './List';\nimport ElementDetails from './ElementDetails';\nimport ElementStore from './stores/ElementStore';\n\nexport default class Elements extends Component {\n constructor(props) {\n super(props);\n this.state = {\n currentElement: null\n };\n\n this.handleOnChange = this.handleOnChange.bind(this);\n }\n\n componentDidMount() {\n ElementStore.listen(this.handleOnChange);\n }\n\n componentWillUnmount() {\n ElementStore.unlisten(this.handleOnChange);\n }\n\n handleOnChange(state) {\n const { currentElement } = state;\n this.setState({ currentElement });\n }\n\n render() {\n const { currentElement } = this.state;\n const showReport = (currentElement || []).type === 'report';\n\n let md = 12;\n const overview = !(currentElement);\n let page = null;\n\n if (currentElement) {\n md = 4;\n page = (\n \n \n {selectedElements}\n \n
\n \n
\n );\n }\n}\n\n","import UIStore from './stores/UIStore';\nimport ElementStore from './stores/ElementStore';\nimport CollectionStore from './stores/CollectionStore';\nimport UserStore from './stores/UserStore';\nimport UIActions from './actions/UIActions';\nimport UserActions from './actions/UserActions';\nimport ElementActions from './actions/ElementActions';\nimport * as routesUtils from './routesUtils';\nimport UIFetcher from './fetchers/UIFetcher';\nimport klasses from '../../../../config/klasses.json';\n\n\nconst routes = {\n '/': 'root',\n target: {\n root() { Aviator.navigate('/collection/all'); }\n },\n\n '/collection': {\n target: {\n show: routesUtils.collectionShow,\n showCollectionManagement: routesUtils.collectionShowCollectionManagement\n },\n '/management': 'showCollectionManagement',\n '/:collectionID': 'show'\n },\n\n '/scollection': {\n target: {\n show: routesUtils.scollectionShow,\n showCollectionManagement: routesUtils.collectionShowCollectionManagement\n },\n '/management': 'showCollectionManagement',\n '/:collectionID': 'show'\n },\n\n '/report': {\n target: {\n showReport: routesUtils.reportShowReport\n },\n '/': 'showReport'\n },\n\n '/sample': {\n target: {\n showOrNew: routesUtils.sampleShowOrNew\n },\n '/:sampleID': 'showOrNew'\n },\n\n '/reaction': {\n target: {\n show: routesUtils.reactionShow,\n showSample: routesUtils.reactionShowSample\n },\n '/:reactionID': 'show',\n '/sample/:sampleID': 'showSample',\n },\n '/wellplate': {\n target: {\n showOrNew: routesUtils.wellplateShowOrNew,\n showSample: routesUtils.wellplateShowSample\n },\n '/:wellplateID': 'showOrNew',\n '/sample/:sampleID': 'showSample',\n },\n '/screen': {\n target: {\n showOrNew: routesUtils.screenShowOrNew\n },\n '/:screenID': 'showOrNew'\n },\n '/devicesAnalysis': {\n target: {\n create: routesUtils.devicesAnalysisCreate,\n show: routesUtils.devicesAnalysisShow\n },\n '/new/:deviceId/:analysisType': 'create',\n '/:analysisId': 'show',\n },\n '/device': {\n target: {\n show: routesUtils.deviceShow,\n showDeviceManagement: routesUtils.deviceShowDeviceManagement,\n },\n '/management': 'showDeviceManagement',\n '/:deviceId': 'show',\n },\n '/research_plan': {\n target: {\n showOrNew: routesUtils.researchPlanShowOrNew\n },\n '/:research_planID': 'showOrNew'\n },\n '/fwdRxnPrediction': {\n target: {\n showFwdRxnPrediction: routesUtils.predictionShowFwdRxn\n },\n '/': 'showFwdRxnPrediction'\n },\n '/genericEl': {\n target: {\n showOrNew: routesUtils.genericElShowOrNew\n },\n '/:genericElID': 'showOrNew'\n }\n};\n\n // const { klasses } = UIStore.getState();\n // console.log(klasses);\n\n\n// UIFetcher.initialize()\n// .then((result) => {\n// console.log(result);\n// const klasses = result.klasses || [];\n// });\n\nklasses && klasses.forEach((klass) => {\n const item = {};\n item['target'] = { showOrNew: routesUtils.genericElShowOrNew };\n item[`/:${klass}ID`] = 'showOrNew';\n routes[`/${klass}`] = item;\n});\n\n\nexport default function() {\n Aviator.root = '/mydb';\n Aviator.pushStateEnabled = true;\n Aviator.setRoutes(routes);\n}\n","import React from 'react';\nimport Draggable from 'react-draggable';\nimport { Badge, Button, Panel, Glyphicon } from 'react-bootstrap';\nimport PropTypes from 'prop-types';\nimport InboxStore from '../stores/InboxStore';\nimport InboxActions from '../actions/InboxActions';\nimport LoadingActions from '../actions/LoadingActions';\n\nimport DeviceBox from '../inbox/DeviceBox';\nimport UnsortedBox from '../inbox/UnsortedBox';\n\nexport default class InboxModal extends React.Component {\n constructor(props) {\n super(props);\n\n const inboxState = InboxStore.getState();\n\n this.state = {\n inbox: inboxState.inbox,\n inboxVisible: false,\n numberOfAttachments: inboxState.numberOfAttachments,\n visible: inboxState.inboxModalVisible\n };\n\n this.onChange = this.onChange.bind(this);\n this.onClickInbox = this.onClickInbox.bind(this);\n }\n\n componentDidMount() {\n InboxStore.listen(this.onChange);\n InboxActions.fetchInboxCount();\n }\n\n componentWillUnmount() {\n InboxStore.unlisten(this.onChange);\n }\n\n onChange(state) {\n this.setState(state);\n this.setState({ visible: state.inboxModalVisible });\n }\n\n onClickInbox() {\n const { inboxVisible, inbox } = this.state;\n this.setState({ inboxVisible: !inboxVisible });\n if (!inbox.children) {\n LoadingActions.start();\n InboxActions.fetchInbox();\n }\n }\n\n refreshInbox() {\n LoadingActions.start();\n InboxActions.fetchInbox();\n }\n\n lockedSubtrees() {\n const roots = this.state.lockedRoots;\n\n return this.subtrees(roots, null, false);\n }\n\n inboxSubtrees() {\n const { inbox } = this.state;\n\n let boxes = '';\n if (inbox.children) {\n inbox.children.sort((a, b) => {\n if (a.name > b.name) { return 1; } if (a.name < b.name) { return -1; } return 0;\n });\n boxes = inbox.children.map(deviceBox => (\n \n {boxes}\n {inbox.unlinked_attachments\n ?
\n );\n }\n\n render() {\n const { showCollectionTree } = this.props;\n const { visible, inboxVisible } = this.state;\n\n\n const panelClass = showCollectionTree ? 'small-col col-md-6' : 'small-col col-md-5';\n const inboxDisplay = inboxVisible ? '' : 'none';\n\n if (visible) {\n return (\n \n
\n \n
\n \n this.onClickInbox()}\n >\n \n Fetch Inbox\n \n
\n\n \n { this.inboxSubtrees() }\n
\n \n Uploading {file.filename}\n
);\n progressValue.push(item);\n });\n }\n\n return (\n \n
\n \n \n
\n \n
\n );\n\n const tbodyHeader = (\n \n \n {componentEditor}\n
\n );\n }\n}\n\nMoleculeModeratorComponent.propTypes = {\n molecule: PropTypes.object,\n showStructureEditor: PropTypes.bool.isRequired,\n handleEditorSave: PropTypes.func.isRequired,\n handleEditor: PropTypes.func.isRequired,\n onSave: PropTypes.func.isRequired,\n};\n","import React, { Component } from 'react';\nimport ReactDOM from 'react-dom';\nimport { Navbar, FormGroup, ControlLabel, FormControl, Button } from 'react-bootstrap';\nimport MoleculeModeratorComponent from './MoleculeModeratorComponent';\nimport MoleculesFetcher from './fetchers/MoleculesFetcher';\nimport Notifications from './Notifications';\nimport LoadingModal from './common/LoadingModal';\nimport LoadingActions from './actions/LoadingActions';\nimport NotificationActions from './actions/NotificationActions';\n\nconst pageNav = (\n \n \n \n InChiKey: {this.props.molecule.inchikey}\n (Chemotion molecule id: {this.props.molecule.id})\n
\n Canonical Smiles: {this.props.molecule.cano_smiles}\n \n \n \n
\n \n
\n
\n
\n \n \n \n {tbodyHeader}\n \n {tbodyContent}\n \n
\n \n
\n { this.renderModal() }\n \n \n
\n \n Canonical Smiles: {this.props.molecule.cano_smiles}\n
\n
\n
\n \n
\n \n \n {pageNav}\n
\n );\n }\n}\n\ndocument.addEventListener('DOMContentLoaded', () => {\n const domElement = document.getElementById('MoleculeModerator');\n if (domElement) ReactDOM.render(\n {formSearch}\n
\n
\n {pageComponent}\n \n
\n { suggestions.map((suggestion, index) => {\n let suggestionType = types[suggestion.search_by_method]\n let icon = suggestionType ? suggestionType.icon : \"\"\n let typeLabel = suggestionType ? suggestionType.label : \"\"\n let name = '';\n\n // Remove first \"InchI\" string in suggestion list\n let inchiString = 'InChI=';\n let inchiMatch = '';\n\n if (suggestion.search_by_method == 'element_short_label') {\n icon = suggestion.name.icon;\n typeLabel = suggestion.name.label;\n name = suggestion.name.name;\n } else {\n name = suggestion.name;\n inchiMatch = suggestion.name.substring(0, inchiString.length)\n if (inchiMatch==inchiString) {\n suggestion.name = suggestion.name.replace(inchiString, \"\")\n }\n }\n\n\n return (\n this.selectSuggestion()}\n onMouseEnter={() => this.focusSuggestion(index)}\n key={'suggestion_' + index}\n ref={'suggestion_' + index}\n header={name}\n className=\"list-group-item-wrap\"\n >\n \n {typeLabel}\n \n )\n })}\n
\n )\n } else if (error) {\n return \n \n \n \n {this.props.buttonBefore}\n \n this.handleFocus()}\n onBlur={() => this.handleBlur()}\n onChange={event => this.handleValueChange(event, this.doneTyping)}\n onKeyDown={event => this.handleKeyDown(event)}\n />\n \n {this.props.buttonAfter}\n \n \n \n this.abortAutoSelection()}\n placement='bottom'\n container={this}\n rootClose={true}\n target={this.overlayTarget.current}\n >\n
\n )\n }\n}\n","import 'whatwg-fetch';\n\nexport default class SuggestionsFetcher {\n static fetchSuggestionsForCurrentUser(elementType, query, collectId, isSync = false) {\n return fetch(\n `/api/v1/suggestions/${elementType}?query=${encodeURIComponent(query)}&collection_id=${collectId}&is_sync=${isSync}`,\n { credentials: 'same-origin' }\n ).then(response => response.json())\n .then(json => json.suggestions)\n .catch((errorMessage) => { console.log(errorMessage); });\n }\n}\n","import React from 'react';\nimport PropTypes from 'prop-types';\nimport { Modal } from 'react-bootstrap';\n\nfunction GenericElCriteriaModal(props) {\n const Component = props.component;\n if (!props.show) return ();\n return (\n \n { this.listSuggestions = alist; }}\n >\n {this.renderSuggestions()}\n \n
\n \n {layout}
\n );\n};\n\nbuildCriteria.propTypes = {\n genericEl: PropTypes.instanceOf(GenericEl), onChange: PropTypes.func, onSubChange: PropTypes.func\n};\n\nbuildCriteria.defaultProps = {\n genericEl: null, onChange: () => {}, onSubChange: () => {}\n};\n\nexport default class GenericElCriteria extends Component {\n constructor(props) {\n super(props);\n this.state = {\n genericEl: props.genericEl,\n };\n this.onSubChange = this.onSubChange.bind(this);\n this.onChange = this.onChange.bind(this);\n this.onSearch = this.onSearch.bind(this);\n }\n\n onSubChange(layer, obj) {\n const { genericEl } = this.state;\n const { properties_template } = genericEl;\n const subFields = properties_template.layers[`${layer}`].fields.find(m => m.field === obj.f.field).sub_fields || [];\n const idxSub = subFields.findIndex(m => m.id === obj.sub.id);\n subFields.splice(idxSub, 1, obj.sub);\n properties_template.layers[`${layer}`].fields.find(e => e.field === obj.f.field).sub_fields = subFields;\n genericEl.search_properties = properties_template;\n genericEl.changed = true;\n this.setState({ genericEl });\n }\n\n onChange(event, field, layer, type = 'text') {\n const { genericEl } = this.state;\n const { properties_template } = genericEl;\n let value = '';\n if (type === 'select') {\n value = event ? event.value : null;\n } else if (type === 'checkbox') {\n value = event.target.checked;\n } else {\n ({ value } = event.target);\n }\n if (typeof value === 'string') value = value.trim();\n if (field === 'search_name' && layer === '') {\n genericEl.search_name = value;\n } else if (field === 'search_short_label' && layer === '') {\n genericEl.search_short_label = value;\n } else {\n properties_template.layers[`${layer}`].fields.find(e => e.field === field).value = value;\n }\n // eslint-disable-next-line camelcase\n genericEl.search_properties = properties_template;\n genericEl.changed = true;\n this.setState({ genericEl });\n }\n\n onSearch() {\n const { genericEl } = this.state;\n this.props.onSearch(genericEl);\n }\n\n render() {\n const { genericEl } = this.state;\n return (\n \n
\n );\n }\n}\n\nGenericElCriteria.propTypes = {\n genericEl: PropTypes.object,\n onHide: PropTypes.func,\n onSearch: PropTypes.func,\n};\n\nGenericElCriteria.defaultProps = {\n genericEl: null,\n onHide: () => { },\n onSearch: () => { }\n};\n","import React from 'react';\nimport {\n Glyphicon, ButtonGroup, Button, DropdownButton, MenuItem,\n Form, FormControl, Radio, Grid, Row, Col\n} from 'react-bootstrap';\nimport PropTypes from 'prop-types';\nimport AutoCompleteInput from './AutoCompleteInput';\nimport StructureEditorModal from '../structure_editor/StructureEditorModal';\nimport SuggestionsFetcher from '../fetchers/SuggestionsFetcher';\nimport ElementActions from '../actions/ElementActions';\nimport UIStore from '../stores/UIStore';\nimport UIActions from '../actions/UIActions';\nimport UserStore from '../stores/UserStore';\nimport GenericElCriteriaModal from '../generic/GenericElCriteriaModal';\nimport GenericElCriteria from '../generic/GenericElCriteria';\nimport { clsInputGroup } from '../../admin/generic/Utils';\n\nexport default class Search extends React.Component {\n constructor(props) {\n super(props);\n this.state = {\n elementType: 'all',\n showStructureEditor: false,\n queryMolfile: null,\n searchType: 'sub',\n tanimotoThreshold: 0.7,\n showGenericElCriteria: false,\n genericEl: null\n };\n this.handleClearSearchSelection = this.handleClearSearchSelection.bind(this);\n this.handleStructureEditorCancel = this.handleStructureEditorCancel.bind(this);\n this.hideGenericElCriteria = this.hideGenericElCriteria.bind(this);\n this.genericElSearch = this.genericElSearch.bind(this);\n }\n\n handleSelectionChange(selection) {\n const uiState = UIStore.getState();\n const { currentCollection } = uiState;\n const collectionId = currentCollection ? currentCollection.id : null;\n const isPublic = this.props.isPublic;\n const isSync = currentCollection ? currentCollection.is_sync_to_me : false;\n selection.elementType = this.state.elementType;\n UIActions.setSearchSelection(selection);\n selection.page_size = uiState.number_of_results;\n ElementActions.fetchBasedOnSearchSelectionAndCollection(\n { selection, collectionId, isSync, isPublic });\n }\n\n search(query) {\n const { currentCollection } = UIStore.getState();\n const id = currentCollection ? currentCollection.id : null;\n const isSync = currentCollection ? currentCollection.is_sync_to_me : false;\n return SuggestionsFetcher.fetchSuggestionsForCurrentUser(\n this.state.elementType.toLowerCase(), query, id, isSync\n );\n }\n\n structureSearch(molfile) {\n const uiState = UIStore.getState();\n const { currentCollection } = uiState;\n const collectionId = currentCollection ? currentCollection.id : null;\n const isSync = currentCollection ? currentCollection.is_sync_to_me : false;\n const isPublic = this.props.isPublic;\n let tanimoto = this.state.tanimotoThreshold;\n if (tanimoto <= 0 || tanimoto > 1) { tanimoto = 0.3; }\n const selection = {\n elementType: this.state.elementType,\n molfile,\n search_type: this.state.searchType,\n tanimoto_threshold: tanimoto,\n page_size: uiState.number_of_results,\n search_by_method: 'structure',\n structure_search: true\n };\n UIActions.setSearchSelection(selection);\n ElementActions.fetchBasedOnSearchSelectionAndCollection(\n {\n selection, collectionId, isSync, isPublic\n });\n }\n\n genericElSearch() {\n const uiState = UIStore.getState();\n const { currentCollection } = uiState;\n const collectionId = currentCollection ? currentCollection.id : null;\n const isSync = currentCollection ? currentCollection.is_sync_to_me : false;\n const { genericEl } = this.state;\n\n\n const selection = {\n elementType: this.state.elementType,\n searchName: genericEl.search_name,\n searchShowLabel: genericEl.search_short_label,\n genericElName: genericEl.name,\n search_by_method: genericEl.name,\n genericElProperties: genericEl.properties,\n searchProperties: genericEl.search_properties,\n page_size: uiState.number_of_results\n };\n\n UIActions.setSearchSelection(selection);\n ElementActions.fetchBasedOnSearchSelectionAndCollection({\n selection,\n genericElName: genericEl.name,\n collectionId,\n isSync,\n });\n this.setState({ showGenericElCriteria: false });\n }\n\n handleClearSearchSelection() {\n const { currentCollection, isSync } = UIStore.getState();\n this.setState({ elementType: 'all' })\n currentCollection['clearSearch'] = true;\n isSync ? UIActions.selectSyncCollection(currentCollection)\n : UIActions.selectCollection(currentCollection);\n }\n\n showStructureEditor() {\n this.setState({ showStructureEditor: true });\n }\n\n showAdvancedSearch() {\n UIActions.toggleAdvancedSearch(true);\n }\n\n hideStructureEditor() {\n this.setState({ showStructureEditor: false });\n }\n\n showGenericElCriteria() {\n this.setState({ showGenericElCriteria: true });\n }\n\n hideGenericElCriteria() {\n this.setState({ showGenericElCriteria: false });\n this.handleClearSearchSelection();\n }\n\n handleElementSelection(event, element = null) {\n if (event.startsWith('elements-')) {\n this.showGenericElCriteria();\n this.setState({ elementType: 'elements', genericEl: element });\n } else {\n this.setState({ elementType: event });\n }\n }\n\n handleStructureEditorSave(molfile) {\n if (molfile) { this.setState({ queryMolfile: molfile }); }\n // Check if blank molfile\n const molfileLines = molfile.match(/[^\\r\\n]+/g);\n // If the first character ~ num of atoms is 0, we will not search\n if (molfileLines[1].trim()[0] !== 0) {\n this.structureSearch(molfile);\n }\n this.hideStructureEditor();\n }\n\n handleStructureEditorCancel() {\n this.hideStructureEditor();\n }\n\n handleTanimotoChange(e) {\n const val = e.target && e.target.value;\n if (!isNaN(val - val)) {\n this.setState({ tanimotoThreshold: val });\n }\n }\n\n handleSearchTypeChange(e) {\n this.setState({ searchType: e.target && e.target.value });\n }\n\n renderMenuItems() {\n const elements = [\n 'All',\n 'Samples', 'Reactions',\n 'Wellplates', 'Screens'\n ];\n\n const menu = elements.map(element => (\n \n ));\n\n menu.push();\n menu.push(\n \n );\n\n menu.push();\n\n const genericEls = UserStore.getState().genericEls || [];\n const profile = UserStore.getState().profile || {};\n\n genericEls.forEach((el) => {\n const idx = profile.data && profile.data.layout && profile.data.layout[el.name];\n if (idx >= 0) {\n menu.push();\n }\n });\n\n return menu;\n }\n\n render() {\n const { profile } = UserStore.getState();\n const { customClass } = (profile && profile.data) || {};\n\n const buttonAfter = (\n \n {buildCriteria({ genericEl, onChange: this.onChange, onSubChange: this.onSubChange })}\n
\n \n \n \n \n
\n \n
\n );\n }\n}\n\nSearch.propTypes = {\n noSubmit: PropTypes.bool\n};\n\nSearch.defaultProps = {\n noSubmit: false,\n};\n","import React from 'react';\nimport { DropdownButton, MenuItem, Button } from 'react-bootstrap';\nimport PropTypes from 'prop-types';\n\nconst MoveOrAssignButton = ({ assignDisabled, moveDisabled, onClick, customClass }) => (\n \n
\n \n this.search(input)}\n ref={(input) => { this.autoComplete = input; }}\n onSelectionChange={selection => this.handleSelectionChange(selection)}\n buttonBefore={innerDropdown}\n buttonAfter={buttonAfter}\n />\n
\n {\n this.state.showGenericElCriteria ? \n \n Select a Collection \n \n \n or Create a new Collection \n \n {this.submitButton()}\n
\n )\n }\n}\n\nManagingModalCollectionActions.propTypes = {\n action: PropTypes.func,\n onHide: PropTypes.func,\n listSharedCollections: PropTypes.bool,\n}\n","import React from 'react';\nimport { Button, ButtonToolbar, Checkbox, OverlayTrigger, Tooltip, Label } from 'react-bootstrap';\n\nexport default class ManagingModalDelete extends React.Component {\n constructor(props) {\n super(props);\n this.state = {\n deleteSubsamples: false,\n };\n\n this.handleCheck = this.handleCheck.bind(this);\n this.handleClick = this.handleClick.bind(this);\n this.onHide = this.onHide.bind(this);\n }\n\n onHide() {\n this.props.onHide();\n }\n\n handleClick() {\n const { onHide, action } = this.props;\n action(this.state);\n onHide();\n }\n\n handleCheck() {\n const { deleteSubsamples } = this.state;\n\n this.setState({\n deleteSubsamples: !deleteSubsamples,\n });\n }\n\n render() {\n return (\n \n \n Also delete reaction associated samples \n if left unchecked, only the solvent and reactant samples of the selected reactions will be deleted}\n >\n \n \n \n \n \n \n \n
\n );\n }\n}\n","import React from 'react';\nimport PropTypes from 'prop-types';\nimport { Button, ButtonToolbar } from 'react-bootstrap';\n\nimport UIStore from '../stores/UIStore';\n\nconst ManagingModalRemove = ({ onHide, action }) => {\n const ui_state = UIStore.getState();\n return (\n \n One of the selected elements contains one or several samples marked as top secret.\n
\n )\n }\n}\n","import React from 'react';\nimport { ButtonGroup } from 'react-bootstrap';\nimport PropTypes from 'prop-types';\nimport { List } from 'immutable';\nimport { ShareButton, MoveOrAssignButton, RemoveOrDeleteButton } from './ManagingActionButtons';\nimport UIStore from './../stores/UIStore';\nimport UserStore from './../stores/UserStore';\nimport UserActions from './../actions/UserActions';\nimport PermissionStore from './../stores/PermissionStore';\nimport PermissionActions from './../actions/PermissionActions';\nimport ManagingModalSharing from './ManagingModalSharing';\nimport ManagingModalCollectionActions from './ManagingModalCollectionActions';\nimport ManagingModalDelete from './ManagingModalDelete';\nimport ManagingModalRemove from './ManagingModalRemove';\nimport ManagingModalTopSecret from './ManagingModalTopSecret';\nimport ElementActions from '../actions/ElementActions';\nimport MatrixCheck from '../common/MatrixCheck';\nimport klasses from '../../../../../config/klasses.json';\n\nconst upState = (state) => {\n const { sample, reaction, screen, wellplate, research_plan } = state;\n const stateObj = {\n sample: {\n checkedAll: sample ? sample.checkedAll : false,\n checkedIds: sample ? sample.checkedIds : List(),\n uncheckedIds: sample ? sample.uncheckedIds : List(),\n },\n reaction: {\n checkedAll: reaction ? reaction.checkedAll : false,\n checkedIds: reaction ? reaction.checkedIds : List(),\n uncheckedIds: reaction ? reaction.uncheckedIds : List(),\n },\n wellplate: {\n checkedAll: wellplate ? wellplate.checkedAll : false,\n checkedIds: wellplate ? wellplate.checkedIds : List(),\n uncheckedIds: wellplate ? wellplate.uncheckedIds : List(),\n },\n screen: {\n checkedAll: screen ? screen.checkedAll : false,\n checkedIds: screen ? screen.checkedIds : List(),\n uncheckedIds: screen ? screen.uncheckedIds : List(),\n },\n research_plan: {\n checkedAll: research_plan ? research_plan.checkedAll : false,\n checkedIds: research_plan ? research_plan.checkedIds : List(),\n uncheckedIds: research_plan ? research_plan.uncheckedIds : List(),\n }\n };\n\n // const currentUser = (UserStore.getState() && UserStore.getState().currentUser) || {};\n // if (MatrixCheck(currentUser.matrix, 'genericElement')) {\n\n // eslint-disable-next-line no-unused-expressions\n klasses && klasses.forEach((klass) => {\n stateObj[`${klass}`] = {\n checkedAll: state[`${klass}`] ? state[`${klass}`].checkedAll : false,\n checkedIds: state[`${klass}`] ? state[`${klass}`].checkedIds : List(),\n uncheckedIds: state[`${klass}`] ? state[`${klass}`].uncheckedIds : List(),\n };\n });\n // }\n\n return (stateObj);\n};\n\nexport default class ManagingActions extends React.Component {\n constructor(props) {\n super(props);\n const { currentUser, genericEls } = UserStore.getState();\n this.state = {\n currentUser,\n currentCollection: { id: 0 },\n sharing_allowed: false,\n deletion_allowed: false,\n remove_allowed: false,\n is_top_secret: false,\n genericEls: [],\n ...upState({})\n };\n\n this.handleButtonClick = this.handleButtonClick.bind(this);\n this.onChange = this.onChange.bind(this);\n\n this.onUserChange = this.onUserChange.bind(this);\n this.onPermissionChange = this.onPermissionChange.bind(this);\n }\n\n componentDidMount() {\n UserStore.listen(this.onUserChange);\n UIStore.listen(this.onChange);\n PermissionStore.listen(this.onPermissionChange);\n UserActions.fetchCurrentUser();\n }\n\n componentWillUnmount() {\n UserStore.unlisten(this.onUserChange);\n UIStore.unlisten(this.onChange);\n PermissionStore.unlisten(this.onPermissionChange);\n }\n\n onChange(state) {\n const {\n sample, reaction, screen, wellplate, research_plan, genericEl, currentCollection\n } = state;\n if (this.collectionChanged(state)) {\n this.setState({\n sharing_allowed: false,\n deletion_allowed: false,\n remove_allowed: false,\n is_top_secret: false,\n hasSel: false,\n currentCollection\n });\n }\n else if (this.checkUIState(state)) {\n const hasSel = ['sample', 'reaction', 'screen', 'wellplate', 'research_plan'].concat(klasses || []).find(el => (\n state[el] && (state[el].checkedIds.size > 0 || state[el].checkedAll)));\n PermissionActions.fetchPermissionStatus(state);\n this.setState({\n ...upState(state), hasSel\n });\n }\n }\n\n onUserChange(state) {\n const newId = state.currentUser ? state.currentUser.id : null;\n const oldId = this.state.currentUser ? this.state.currentUser.id : null;\n if (newId !== oldId) {\n this.setState({\n currentUser: state.currentUser,\n });\n }\n if (typeof state.genericEls !== 'undefined' && state.genericEls !== null) {\n this.setState({\n genericEls: state.genericEls\n });\n }\n }\n\n onPermissionChange(state) {\n this.setState({ ...state });\n }\n\n collectionChanged(state) {\n const { currentCollection } = state;\n if (typeof currentCollection === 'undefined' || currentCollection == null) {\n return false;\n }\n const { id, is_sync_to_me } = currentCollection;\n return this.state.currentCollection.id !== id ||\n this.state.currentCollection.is_sync_to_me !== is_sync_to_me;\n }\n\n checkUIState(state) {\n const genericNames = (this.state.genericEls && this.state.genericEls.map(el => el.name)) || [];\n const elNames = ['sample', 'reaction', 'screen', 'wellplate', 'research_plan'].concat(genericNames);\n const result = elNames.find(el => ( this.state[el] && state[el] && (\n state[el].checkedIds !== this.state[el].checkedIds ||\n state[el].checkedAll !== this.state[el].checkedAll ||\n state[el].uncheckedIds !== this.state[el].uncheckedIds\n )));\n return result;\n }\n\n handleButtonClick(type) {\n const modalProps = { show: true, action: '', listSharedCollections: false };\n switch(type) {\n case 'share':\n if(!this.state.is_top_secret) {\n modalProps.title = \"Sharing\";\n modalProps.component = ManagingModalSharing;\n } else {\n modalProps.title = \"Sharing not allowed\";\n modalProps.component = ManagingModalTopSecret;\n }\n break;\n case 'move':\n modalProps.title = \"Move to Collection\";\n modalProps.component = ManagingModalCollectionActions;\n modalProps.action = ElementActions.updateElementsCollection;\n modalProps.listSharedCollections = true;\n break;\n case 'remove':\n modalProps.title = \"Remove selected elements from this Collection?\";\n modalProps.component = ManagingModalRemove;\n modalProps.action = ElementActions.removeElementsCollection;\n break;\n case 'assign':\n modalProps.title = \"Assign to Collection\";\n modalProps.component = ManagingModalCollectionActions;\n modalProps.action = ElementActions.assignElementsCollection;\n modalProps.listSharedCollections = false;\n break;\n case 'delete':\n modalProps.title = \"Delete from all Collections?\";\n modalProps.component = ManagingModalDelete;\n modalProps.action = ElementActions.deleteElements;\n break;\n };\n\n this.props.updateModalProps(modalProps);\n }\n\n render() {\n const {\n currentCollection, sharing_allowed, deletion_allowed, remove_allowed, is_top_secret, hasSel\n } = this.state;\n const { is_locked, is_shared, sharer, is_sync_to_me, label } = currentCollection;\n const isAll = is_locked && label === 'All';\n const noSel = !hasSel\n\n const moveDisabled = noSel || isAll;\n const assignDisabled = noSel;\n const removeDisabled = noSel || isAll || !deletion_allowed; //!remove_allowed\n const deleteDisabled = noSel || !deletion_allowed;\n const shareDisabled = noSel || !sharing_allowed;\n\n return (\n \n \n \n
\n );\n }\n}\n\nManagingActions.propTypes = {\n updateModalProps: PropTypes.func.isRequired,\n customClass: PropTypes.string,\n genericEls: PropTypes.array\n};\n\nManagingActions.defaultProps = {\n customClass: null,\n genericEls: []\n};\n","import React from 'react';\nimport PropTypes from 'prop-types';\nimport {\n SplitButton, Button, ButtonToolbar, FormControl,\n FormGroup, ControlLabel, Modal, MenuItem\n} from 'react-bootstrap';\nimport Aviator from 'aviator';\n\nimport { elementShowOrNew } from '../routesUtils';\nimport UIStore from '../stores/UIStore';\nimport UserStore from '../stores/UserStore';\nimport ElementActions from '../actions/ElementActions';\nimport ClipboardActions from '../actions/ClipboardActions';\nimport SamplesFetcher from '../fetchers/SamplesFetcher';\nimport MatrixCheck from '../common/MatrixCheck';\n\nexport default class CreateButton extends React.Component {\n constructor(props) {\n super(props);\n this.state = {\n samples: [],\n collectionId: null,\n modalProps: {\n show: false,\n sampleCount: 0,\n wellplateCount: 0\n }\n }\n\n this.createBtn = this.createBtn.bind(this);\n }\n\n getSampleFilter() {\n let uiState = UIStore.getState();\n return this.filterParamsFromUIStateByElementType(uiState, \"sample\");\n }\n\n getReactionId() {\n let uiState = UIStore.getState();\n return uiState.reaction.checkedIds.first();\n }\n\n isCopySampleDisabled() {\n let sampleFilter = this.getSampleFilter();\n return !sampleFilter.all && sampleFilter.included_ids.size == 0;\n }\n\n copySample() {\n let sampleFilter = this.getSampleFilter();\n\n // Set limit to 1 because we are only interested in one sample\n let params = {\n sample: sampleFilter,\n limit: 1\n }\n\n ClipboardActions.fetchSamplesByUIStateAndLimit(params, 'copy_sample');\n }\n\n isCopyReactionDisabled() {\n let reactionId = this.getReactionId();\n return !reactionId;\n }\n\n copyReaction() {\n let reactionId = this.getReactionId();\n ElementActions.copyReactionFromId(reactionId);\n }\n\n createWellplateFromSamples() {\n let uiState = UIStore.getState();\n let sampleFilter = this.filterParamsFromUIStateByElementType(uiState, \"sample\");\n\n let params = {\n sample: sampleFilter\n }\n\n SamplesFetcher.fetchSamplesByUIStateAndLimit(params).then((result) => {\n const samples = result;\n const sampleCount = samples.length;\n if (sampleCount <= 96) {\n ClipboardActions.fetchSamplesByUIStateAndLimit(params, 'template_wellplate');\n } else {\n const wellplateCount = Math.ceil(sampleCount / 96);\n\n this.setState({\n samples: samples,\n collectionId: sampleFilter.collection_id,\n modalProps: {\n show: true,\n sampleCount: sampleCount,\n wellplateCount: wellplateCount\n }\n });\n }\n });\n }\n\n handleModalHide() {\n this.setState({\n modalProps: {\n show: false\n }\n });\n // https://github.com/react-bootstrap/react-bootstrap/issues/1137\n document.body.className = document.body.className.replace('modal-open', '');\n }\n\n bulkCreateWellplates() {\n const wellplateCount = this.wellplateInput.value;\n const { collectionId, samples } = this.state;\n\n ElementActions.bulkCreateWellplatesFromSamples({\n collection_id: collectionId,\n samples: samples,\n wellplateCount: wellplateCount\n });\n this.handleModalHide();\n }\n\n createWellplateModal() {\n const { modalProps } = this.state;\n\n return (\n \n \n
\n )\n }\n\n noWellplateSelected() {\n const { wellplate } = UIStore.getState();\n return wellplate.checkedIds.size == 0 && wellplate.checkedAll == false;\n }\n\n splitSelectionAsSubwellplates() {\n ElementActions.splitAsSubwellplates(UIStore.getState());\n }\n\n render() {\n const { isDisabled, customClass } = this.props;\n const type = UserStore.getState().currentType;\n const elements = [\n { name: 'sample', label: 'Sample' },\n { name: 'reaction', label: 'Reaction' },\n { name: 'wellplate', label: 'Wellplate' },\n { name: 'screen', label: 'Screen' },\n { name: 'research_plan', label: 'Research Plan' }\n ];\n let genericEls = [];\n const currentUser = (UserStore.getState() && UserStore.getState().currentUser) || {};\n\n if (MatrixCheck(currentUser.matrix, 'genericElement')) {\n genericEls = UserStore.getState().genericEls || [];\n }\n const itemTables = [];\n\n elements.concat(genericEls).forEach((el) => {\n itemTables.push();\n });\n\n return (\n \n this.createElementOfType(type)}\n >\n {this.createWellplateModal()}\n {itemTables}\n \n \n \n \n \n \n \n this.splitSelectionAsSubwellplates()}\n disabled={this.noWellplateSelected() || this.isAllCollection()}\n >\n Split Wellplate\n \n \n
\n )\n }\n}\n\nCreateButton.propTypes = {\n customClass: PropTypes.string,\n};\n\nCreateButton.defaultProps = {\n customClass: null,\n};\n","import React from 'react';\nimport _ from 'lodash';\nimport PropTypes from 'prop-types';\nimport { Dropdown, MenuItem } from 'react-bootstrap';\n\nimport ElementActions from '../actions/ElementActions';\nimport UserStore from '../stores/UserStore';\nimport MatrixCheck from '../common/MatrixCheck';\n\nconst showReportContainer = () => {\n ElementActions.showReportContainer();\n};\n\nconst showFormatContainer = () => {\n ElementActions.showFormatContainer();\n};\n\nconst showPredictionContainer = () => {\n ElementActions.showPredictionContainer();\n};\n\nconst showComputedPropsGraph = () => {\n ElementActions.showComputedPropsGraph();\n};\n\nconst showComputedPropsTasks = () => {\n ElementActions.showComputedPropsTasks();\n};\n\nconst ReportUtilButton = ({ customClass }) => {\n const currentUser = (UserStore.getState() && UserStore.getState().currentUser) || {};\n const enableComputedProps = MatrixCheck(currentUser.matrix, 'computedProp');\n const enableReactionPredict = MatrixCheck(currentUser.matrix, 'reactionPrediction');\n\n let graph = ;\n let task = ;\n if (enableComputedProps) {\n graph = (\n \n );\n task = (\n \n );\n }\n\n let predDiv = ;\n let divider = ;\n if (enableReactionPredict) {\n divider = ;\n predDiv = (\n \n );\n }\n\n return (\n \n {file.name}\n \n
\n );\n } else {\n return (\n \n Drop File, or Click to Select.\n
\n \n );\n }\n }\n\n isDisabled() {\n const {file} = this.state;\n return file == null\n }\n\n render() {\n const {onHide} = this.props;\n return (\n \n {this.dropzoneOrfilePreview()}\n \n \n \n \n \n
\n )\n }\n}\n","import React from 'react';\nimport PropTypes from 'prop-types';\nimport _ from 'lodash';\n\nimport { Button, ButtonToolbar } from 'react-bootstrap';\n\nimport { ChemScanner, store } from '../chemscanner/ChemScanner';\n\nimport ElementActions from '../actions/ElementActions';\n\nexport default class ModalImportChemScanner extends React.Component {\n constructor(props) {\n super(props);\n\n this.importAll = this.importAll.bind(this);\n this.importSelected = this.importSelected.bind(this);\n }\n\n importAll() {\n const reactions = store.getState().get('reactions').toJS();\n const molecules = store.getState().get('molecules').toJS();\n\n ElementActions.importReactionsFromChemScanner({ reactions, molecules });\n this.props.onHide();\n }\n\n importSelected() {\n const reactions = store.getState().get('reactions').filter(r => r.selected).toJS();\n const molecules = store.getState().get('molecules').filter(m => m.selected).toJS();\n\n ElementActions.importReactionsFromChemScanner({ reactions, molecules });\n this.props.onHide();\n }\n\n render() {\n const { onHide } = this.props;\n\n return (\n \n \n \n \n \n \n
\n );\n }\n}\n\nModalImportChemScanner.propTypes = {\n onHide: PropTypes.func.isRequired,\n};\n","import React from 'react';\nimport { Button, ButtonToolbar, DropdownButton, MenuItem } from 'react-bootstrap';\nimport CheckBoxs from '../common/CheckBoxs';\nimport UIStore from './../stores/UIStore';\nimport UserStore from './../stores/UserStore';\nimport ReportsFetcher from './../fetchers/ReportsFetcher';\n\nconst filterUIState = (uiState) => {\n const {\n currentCollection, sample, reaction, wellplate, isSync\n } = uiState;\n return {\n sample: {\n checkedIds: sample.checkedIds.toArray(),\n uncheckedIds: sample.uncheckedIds.toArray(),\n checkedAll: sample.checkedAll,\n },\n reaction: {\n checkedIds: reaction.checkedIds.toArray(),\n uncheckedIds: reaction.uncheckedIds.toArray(),\n checkedAll: reaction.checkedAll,\n },\n wellplate: {\n checkedIds: wellplate.checkedIds.toArray(),\n uncheckedIds: wellplate.uncheckedIds.toArray(),\n checkedAll: wellplate.checkedAll,\n },\n currentCollection: currentCollection.id,\n isSync,\n };\n};\n\nconst exportSelections = (uiState, userState, columns, e) => {\n ReportsFetcher.createDownloadFile({ exportType: e, uiState: filterUIState(uiState), columns });\n};\n\nexport default class ModalExport extends React.Component {\n constructor(props) {\n super(props);\n this.state = {\n columns: {\n sample: [\n {value: [\"sample_svg_file\", \"molecule_svg_file\"], text: \"image\", checked: false},\n {value: \"name\", text: \"name\", checked: true},\n {value: \"molecule_name\", text: \"molecule name\", checked: false},\n {value: \"external_label\", text: \"external label\", checked: true},\n {value: \"short_label\", text: \"short label\", checked: false},\n {value: \"description\", text: \"description\", checked: false},\n {value: [\"real_amount_value\", \"real_amount_unit\"], text: \"real amount\", checked: true},\n {value: [\"target_amount_value\", \"target_amount_unit\"], text: \"target amount\", checked: false},\n {value: [\"molarity_value\", \"molarity_unit\"], text: \"molarity\", checked: false},\n {value: \"density\", text: \"density\", checked: false},\n {value: \"molfile\", text: \"molfile\", checked: false},\n // {value: \"purity\", text: \"purity\", checked: false},\n {value: \"solvent\", text: \"solvent\", checked: false},\n {value: \"location\", text: \"location\", checked: false},\n {value: \"is_top_secret\", text: \"is top secret?\", checked: false},\n // {value: \"ancestry\", text: \"ancestry\", checked: false},\n {value: \"imported_readout\", text: \"imported readout\", checked: false},\n // {value: \"identifier\", text: \"identifier\", checked: false},\n {value: \"melting_point\", text: \"melting point\", checked: false},\n {value: \"boiling_point\", text: \"boiling point\", checked: false},\n {value: \"created_at\", text: \"created at\", checked: true},\n {value: \"updated_at\", text: \"updated at\", checked: false},\n {value: \"user_labels\", text: \"user labels\", checked: false},\n {value: \"literature\", text: \"literature\", checked: false},\n ],\n molecule: [\n {value: \"cano_smiles\", text: \"canonical smiles\", checked: true},\n {value: \"inchistring\", text: \"InChIstring\", checked: false},\n {value: \"inchikey\", text: \"InChIkey\", checked: false},\n {value: \"sum_formular\", text: \"sum formula\", checked: false},\n {value: \"molecular_weight\", text: \"molecular weight\", checked: false},\n ],\n reaction: [\n {value: \"name\", text: \"reaction name\", checked: true},\n {value: \"short_label\", text: \"r short label\", checked: true},\n {value: \"reference\", text: \"reference\", checked: false},\n {value: \"equivalent\", text: \"equivalent\", checked: false},\n ],\n wellplate: [\n {value: \"name\", text: \"wellplate name\", checked: false},\n {value: \"position_x\", text: \"well x\", checked: false},\n {value: \"position_y\", text: \"well y\", checked: false},\n ],\n analyses: [\n { value: \"name\", text: \"analysis name\", checked: false },\n { value: \"description\", text: \"analysis description\", checked: false },\n { value: \"kind\", text: \"analysis type\", checked: false },\n { value: \"content\", text: \"analysis content\", checked: false },\n { value: \"status\", text: \"analysis status\", checked: false },\n { value: \"uuid\", text: \"uuid\", checked: false },\n { value: \"dataset name\", text: \"dataset name\", checked: false },\n { value: \"dataset description\", text: \"dataset description\", checked: false },\n { value: \"instrument\", text: \"instrument\", checked: false },\n { value: \"filename\", text: \"file name\", checked: false },\n { value: \"checksum\", text: \"file checksum\", checked: false },\n ],\n },\n checkedAllColumns: {\n sample: true,\n molecule: true,\n wellplate: false,\n reaction: false,\n analysis: false,\n },\n };\n this.handleClick = this.handleClick.bind(this)\n }\n\n toggleColumns(text, checked, section) {\n this.setState((prevState) => {\n const { columns } = prevState;\n columns[section] = columns[section].map((col) => {\n if (col.text === text) {\n return Object.assign({}, col, { checked: !checked })\n }\n return col\n })\n return {...prevState, columns}\n })\n }\n\n toggleColumnsSample(text, checked) {\n this.toggleColumns(text, checked, 'sample');\n }\n\n toggleColumnsReaction(text, checked) {\n this.toggleColumns(text, checked, 'reaction');\n }\n\n toggleColumnsMolecule(text, checked) {\n this.toggleColumns(text, checked, 'molecule');\n }\n\n toggleColumnsWellplate(text, checked) {\n this.toggleColumns(text, checked, 'wellplate');\n }\n\n toggleColumnsAnalyses(text, checked) {\n this.toggleColumns(text, checked, 'analyses');\n }\n\n toggleColumnsAll(section) {\n this.setState((prevState) => {\n const { columns, checkedAllColumns } = prevState;\n checkedAllColumns[section] = !checkedAllColumns[section]\n columns[section] = columns[section].map(\n col => Object.assign({}, col, { checked: checkedAllColumns[section] })\n );\n return { columns, checkedAllColumns };\n })\n }\n\n toggleColumnsAllSample(text, checked) {\n this.toggleColumnsAll('sample');\n }\n\n toggleColumnsAllReaction(text, checked) {\n this.toggleColumnsAll('reaction');\n }\n\n toggleColumnsAllMolecule(text, checked) {\n this.toggleColumnsAll('molecule');\n }\n\n toggleColumnsAllWellplate(text, checked) {\n this.toggleColumnsAll('wellplate');\n }\n\n toggleColumnsAllAnalyses(text, checked) {\n this.toggleColumnsAll('analyses');\n }\n\n buttonBar() {\n const { onHide } = this.props;\n return (\n \n
\n \n \n \n \n \n \n \n \n
\n \n
\n )\n }\n}\n","import React from 'react';\nimport {Button, ButtonToolbar, Radio, FormGroup} from 'react-bootstrap';\nimport PropTypes from 'prop-types';\nimport UIStore from './../stores/UIStore';\nimport UserStore from './../stores/UserStore';\nimport ReportsFetcher from './../fetchers/ReportsFetcher';\n\nexport default class ModalReactionExport extends React.Component {\n constructor(props) {\n super(props);\n this.state = {\n value: 3\n }\n this.handleClick = this.handleClick.bind(this)\n }\n\n buttonBar() {\n const { onHide } = this.props;\n return (\n \n
\n {this.buttonBar()}\n Sample properties
\nMolecule properties
\nReaction properties
\nWellplate and well properties
\nAnalyses
\n\n \n \n \n \n
\n \n
\n )\n }\n}\n\nModalReactionExport.propTypes = {\n onHide: PropTypes.func,\n}\n\nconst exportSelections = (uiState, userState, e) => {\n ReportsFetcher.createDownloadFile({\n exportType: e,\n uiState: filterUIState(uiState),\n columns: []\n },'', 'export_reactions_from_selections');\n}\n\nconst filterUIState = (uiState) =>{\n const { currentCollection, sample, reaction, wellplate, isSync } = uiState;\n return {\n sample: {\n checkedIds: sample.checkedIds.toArray(),\n uncheckedIds: sample.uncheckedIds.toArray(),\n checkedAll: sample.checkedAll,\n },\n reaction: {\n checkedIds: reaction.checkedIds.toArray(),\n uncheckedIds: reaction.uncheckedIds.toArray(),\n checkedAll: reaction.checkedAll,\n },\n wellplate: {\n checkedIds: wellplate.checkedIds.toArray(),\n uncheckedIds: wellplate.uncheckedIds.toArray(),\n checkedAll: wellplate.checkedAll,\n },\n currentCollection: currentCollection.id,\n isSync: isSync,\n }\n}\n","import React from 'react';\nimport {Button, ButtonToolbar} from 'react-bootstrap';\nimport UIStore from './../stores/UIStore';\nimport CollectionStore from './../stores/CollectionStore';\n\nexport default class ModalExportCollection extends React.Component {\n constructor(props) {\n super(props);\n\n let collecState = CollectionStore.getState()\n\n let checkboxes = {}\n this.gatherCheckboxes(collecState.unsharedRoots, checkboxes)\n this.gatherCheckboxes(collecState.sharedRoots, checkboxes)\n this.gatherCheckboxes(collecState.remoteRoots, checkboxes)\n this.gatherCheckboxes(collecState.lockedRoots, checkboxes)\n\n this.state = {\n processing: false,\n unsharedRoots: collecState.unsharedRoots,\n sharedRoots: collecState.sharedRoots,\n remoteRoots: collecState.remoteRoots,\n lockedRoots: collecState.lockedRoots,\n checkboxes: checkboxes\n }\n\n this.handleCheckAll = this.handleCheckAll.bind(this)\n this.handleCheckboxChange = this.handleCheckboxChange.bind(this)\n this.handleClick = this.handleClick.bind(this)\n }\n\n gatherCheckboxes(roots, checkboxes) {\n if (Array.isArray(roots) && roots.length > 0) {\n roots.map((root, index) => {\n checkboxes[root.id] = false;\n this.gatherCheckboxes(root.children, checkboxes)\n })\n }\n }\n\n hasChecked() {\n let checkboxes = this.state.checkboxes\n if (Object.keys(checkboxes).every(key => checkboxes[key] === false)) {\n // all checkboxes are unchecked\n return false\n } else {\n return true\n }\n }\n\n isChecked(id) {\n return this.state.checkboxes[id]\n }\n\n handleCheckAll() {\n const { checkboxes } = this.state;\n const hasChecked = this.hasChecked();\n\n Object.keys(checkboxes).forEach((key) => { checkboxes[key] = !hasChecked; });\n\n this.setState({ checkboxes });\n }\n\n handleCheckboxChange(e) {\n const { checkboxes } = this.state;\n checkboxes[e.target.value] = e.target.checked;\n this.setState({ checkboxes });\n }\n\n handleClick() {\n const { onHide, action } = this.props;\n this.setState({ processing: true });\n\n const collections = [];\n Object.keys(this.state.checkboxes).map((key) => {\n if (this.state.checkboxes[key]) { collections.push(key); }\n });\n\n const params = {\n collections,\n format: 'zip',\n nested: false\n };\n\n action(params);\n\n setTimeout(() => {\n this.setState({ processing: false });\n onHide();\n }, 1000);\n }\n\n renderCheckAll() {\n return (\n \n \n onChange(0)} checked={this.state.value == 0} value={0}>starting_materials >> products \n onChange(1)} checked={this.state.value == 1} value={1}>starting_materials.reactants >> products \n onChange(2)} checked={this.state.value == 2} value={2}>starting_materials.reactants.solvents >> products \n onChange(3)} checked={this.state.value == 3} value={3}>starting_materials > reactants > products \n onChange(4)} checked={this.state.value == 4} value={4}>starting_materials > reactants.solvents > products \n onChange(5)} checked={this.state.value == 5} value={5}>starting_materials > reactants > solvents > products \n onChange(6)} checked={this.state.value == 6} value={6}>starting_materials , reactants , solvents , products \n \n
\n {this.buttonBar()}\n \n \n \n
\n )\n }\n\n renderCollections(label, key) {\n let roots = this.state[key]\n\n if (Array.isArray(roots) && roots.length > 0) {\n return (\n \n
\n )\n }\n }\n\n renderSharedCollections(label, key) {\n let roots = this.state[key]\n\n if (Array.isArray(roots) && roots.length > 0) {\n return (\n {label}
\n {this.renderSubtrees(roots)}\n\n
\n )\n }\n }\n\n renderUserSubtrees(roots) {\n if (Array.isArray(roots) && roots.length > 0) {\n\n let nodes = roots.map((root, index) => {\n\n let label\n if (root.shared_by) {\n label = 'by ' + root.shared_by.initials\n } else if (root.shared_to) {\n label = 'with ' + root.shared_to.initials\n } else {\n label = root.label\n }\n\n return (\n {label}
\n {this.renderUserSubtrees(roots)}\n{label}
\n {this.renderSubtrees(root.children)}\n- \n {nodes}\n
- \n {nodes}\n
\n \n \n \n {bTitle}\n \n \n
\n \n {this.renderCollections('Global collections', 'lockedRoots')}\n {this.renderCollections('My collections', 'unsharedRoots')}\n {this.renderSharedCollections('My shared collections', 'sharedRoots')}\n {this.renderSharedCollections('Shared with me', 'remoteRoots')}\n {this.renderCheckAll()}\n {this.renderButtonBar()}\n
\n )\n }\n}\n","import React from 'react';\nimport {Button, ButtonToolbar} from 'react-bootstrap';\nimport Dropzone from 'react-dropzone';\nimport UIStore from '../stores/UIStore';\n\nimport NotificationActions from '../actions/NotificationActions';\n\nexport default class ModalImportCollection extends React.Component {\n constructor(props) {\n super(props);\n this.state = {\n file: null,\n processing: false\n };\n }\n\n handleClick() {\n const { onHide, action } = this.props;\n const { file } = this.state;\n const ui_state = UIStore.getState();\n this.setState({ processing: true });\n let params = {\n file: file\n }\n action(params);\n setTimeout(() => {\n this.setState({ processing: false });\n onHide();\n }, 1800);\n }\n\n handleFileDrop(attachment_file) {\n this.setState({file: attachment_file[0]});\n }\n\n handleAttachmentRemove() {\n this.setState({file: null});\n }\n\n dropzoneOrfilePreview() {\n const {file} = this.state;\n if (file) {\n return (\n \n {file.name}\n \n
\n );\n } else {\n return (\n \n Drop File, or Click to Select.\n
\n \n );\n }\n }\n\n isDisabled() {\n const { file, processing } = this.state;\n return file == null || processing === true;\n }\n\n render() {\n const {onHide} = this.props;\n const { processing } = this.state;\n const bStyle = processing === true ? 'danger' : 'warning';\n const bClass = processing === true ? 'fa fa-spinner fa-pulse fa-fw' : 'fa fa-file-text-o';\n const bTitle = processing === true ? 'Importing' : 'Import';\n\n return (\n \n {this.dropzoneOrfilePreview()}\n \n \n \n \n \n
\n )\n }\n}\n","import React, {Component} from 'react';\nimport PropTypes from 'prop-types';\nimport { Dropdown, Button, MenuItem, Glyphicon } from 'react-bootstrap';\n\nimport CollectionActions from '../actions/CollectionActions';\nimport ElementActions from '../actions/ElementActions';\nimport UIActions from '../actions/UIActions';\nimport ModalImport from './ModalImport';\nimport ModalImportChemScanner from './ModalImportChemScanner';\nimport ModalExport from './ModalExport';\nimport ModalReactionExport from './ModalReactionExport';\nimport ModalExportCollection from './ModalExportCollection';\nimport ModalImportCollection from './ModalImportCollection';\n\nconst ExportImportButton = ({ isDisabled, updateModalProps, customClass }) => (\n \n \n { this.codeInput = m; }}\n onKeyPress={this.handleKeyPress}\n />\n \n { this.scanInput = scanInput; }}\n onClick={() => this.handleScan()}\n />\n \n \n {this.qrReader(this.state)}\n
\n \n {this.scanAlert()}\n
\n { this.state.scanInfo\n ? {this.state.scanInfo} \n : null\n }\n \n {this.state.scanError}\n \n
\n );\n }\n return null;\n }\n\n render() {\n const ids = this.state.checkedIds.toArray();\n const disabledPrint = !(ids.length > 0);\n const contentsUri = `/api/v1/code_logs/print_codes?element_type=sample&ids[]=${ids}`;\n const menuItems = [\n {\n key: 'smallCode',\n contents: `${contentsUri}&size=small`,\n text: 'Small Label',\n },\n {\n key: 'bigCode',\n contents: `${contentsUri}&size=big`,\n text: 'Large Label',\n },\n ];\n\n const title = (\n \n \n \n \n );\n const { customClass } = this.props;\n return (\n \n \n {menuItems.map(e => (\n {\n event.stopPropagation();\n Utils.downloadFile({ contents: e.contents });\n }}\n >\n {e.text}\n \n ))}\n \n\n {this.scanModal()}\n
\n );\n }\n}\n\n\nScanCodeButton.propTypes = {\n customClass: PropTypes.string,\n};\n\nScanCodeButton.defaultProps = {\n customClass: null,\n};\n","import React from 'react';\nimport { PanelGroup, Panel, Button, Modal, Table } from 'react-bootstrap';\nimport 'whatwg-fetch';\nimport _ from 'lodash';\nimport MessagesFetcher from '../fetchers/MessagesFetcher';\nimport CollectionActions from '../actions/CollectionActions';\nimport NotificationActions from '../actions/NotificationActions';\nimport InboxActions from '../actions/InboxActions';\nimport ReportActions from '../actions/ReportActions';\nimport ElementActions from '../actions/ElementActions';\n\nconst changeUrl = (url, urlTitle) => (url ? {urlTitle || url} : );\n\nconst handleNotification = (nots, act, needCallback = true) => {\n nots.forEach((n) => {\n if (act === 'rem') {\n NotificationActions.removeByUid(n.id);\n }\n if (act === 'add') {\n const time = new Date().getTime();\n const newText = n.content.data.split('\\n').map(i => {i}
);\n const { url, urlTitle } = n.content;\n if (url) {\n newText[newText.length] ={changeUrl(url, urlTitle)}
;\n }\n\n const notification = {\n title: `From ${n.sender_name} on ${n.updated_at}`,\n message: newText,\n level: n.content.level || 'warning',\n dismissible: 'button',\n autoDismiss: n.content.autoDismiss || 5,\n position: n.content.position || 'tr',\n uid: n.id,\n action: {\n label: Got it,\n callback() {\n if (needCallback) {\n const params = { ids: [] };\n params.ids[0] = n.id;\n MessagesFetcher.acknowledgedMessage(params);\n // .then((result) => { console.log(JSON.stringify(result)); });\n }\n }\n }\n };\n NotificationActions.add(notification);\n\n switch (n.content.action) {\n case 'CollectionActions.fetchRemoteCollectionRoots':\n CollectionActions.fetchRemoteCollectionRoots();\n break;\n case 'CollectionActions.fetchSyncInCollectionRoots':\n CollectionActions.fetchSyncInCollectionRoots();\n break;\n case 'InboxActions.fetchInbox':\n InboxActions.fetchInbox();\n break;\n case 'ReportActions.updateProcessQueue':\n ReportActions.updateProcessQueue([parseInt(n.content.report_id, 10)]);\n break;\n case 'ElementActions.refreshComputedProp':\n ElementActions.refreshComputedProp(n.content.cprop);\n break;\n case 'RefreshChemotionCollection':\n CollectionActions.fetchUnsharedCollectionRoots();\n break;\n case 'CollectionActions.fetchUnsharedCollectionRoots':\n CollectionActions.fetchUnsharedCollectionRoots();\n CollectionActions.fetchSyncInCollectionRoots();\n break;\n case 'ElementActions.fetchResearchPlanById':\n ElementActions.fetchResearchPlanById(parseInt(n.content.research_plan_id, 10));\n break;\n default:\n //\n }\n }\n });\n};\n\nconst createUpgradeNotification = (serverVersion, localVersion) => {\n const content = ['Dear ELNer,', 'A new version has been released. Please reload this page to enjoy the latest updates.',\n 'Thank you and have a nice day :)',\n '--------------------------',\n `Your version: ${localVersion}`, `Current version: ${serverVersion}`,\n '--------------------------',\n ].join('\\n');\n const contentJson = {\n data: content,\n url: '/about',\n urlTitle: 'Check what\\'s new here'\n };\n const options = {\n year: 'numeric',\n month: 'long',\n day: 'numeric',\n hour: '2-digit',\n minute: '2-digit'\n };\n const infoTimeString = new Date().toLocaleDateString('de-DE', options);\n const not = {\n id: -1,\n sender_name: 'System Adminstrator',\n updated_at: `${infoTimeString}`,\n content: contentJson\n };\n handleNotification([not], 'add', false);\n};\n\nexport default class NoticeButton extends React.Component {\n constructor(props) {\n super(props);\n this.state = {\n showModal: false,\n dbNotices: [],\n messageEnable: true,\n messageAutoInterval: 6000,\n lastActivityTime: new Date(),\n idleTimeout: 12,\n serverVersion: '',\n localVersion: '',\n };\n this.envConfiguration = this.envConfiguration.bind(this);\n this.handleShow = this.handleShow.bind(this);\n this.handleHide = this.handleHide.bind(this);\n this.messageAck = this.messageAck.bind(this);\n this.detectActivity = this.detectActivity.bind(this);\n }\n\n componentDidMount() {\n this.envConfiguration();\n }\n\n shouldComponentUpdate(nextProps, nextState) {\n const nots = this.state.dbNotices;\n const nextNots = nextState.dbNotices;\n\n const notIds = _.map(nots, 'id');\n const nextNotIds = _.map(nextNots, 'id');\n const newMessages = _.filter(nextNots, o => !_.includes(notIds, o.id));\n const remMessages = _.filter(nots, o => !_.includes(nextNotIds, o.id));\n\n if (Object.keys(newMessages).length > 0) {\n handleNotification(newMessages, 'add');\n }\n if (Object.keys(remMessages).length > 0) {\n handleNotification(remMessages, 'rem');\n }\n if (nextState.serverVersion && nextState.localVersion\n && nextState.serverVersion !== this.state.serverVersion\n && nextState.serverVersion !== nextState.localVersion) {\n const serverVer = nextState.serverVersion.substring(nextState.serverVersion.indexOf('-') + 1, nextState.serverVersion.indexOf('.js'));\n const localVer = nextState.localVersion.substring(nextState.localVersion.indexOf('-') + 1, nextState.localVersion.indexOf('.js'));\n if (serverVer !== localVer) {\n createUpgradeNotification(serverVer, localVer);\n }\n }\n\n return true;\n }\n\n componentWillUnmount() {\n const { messageEnable } = this.state;\n if (messageEnable === true) {\n document.removeEventListener('mousemove', this.detectActivity, false);\n document.removeEventListener('click', this.detectActivity, false);\n clearInterval(this.interval);\n }\n }\n\n envConfiguration() {\n // use 'application' (not 'application-') as keyword because there is a\n // difference between production and development environment\n const documentIndex = 'application';\n const applicationTag = _.filter(document.scripts, s => s.src.indexOf(documentIndex) > -1);\n const applicationTagValue = applicationTag[0].src.substr(applicationTag[0].src\n .indexOf(documentIndex));\n MessagesFetcher.configuration()\n .then((result) => {\n this.setState({\n messageEnable: result.messageEnable === 'true',\n messageAutoInterval: result.messageAutoInterval,\n idleTimeout: result.idleTimeout,\n localVersion: applicationTagValue\n });\n const { messageEnable, messageAutoInterval } = this.state;\n\n if (messageEnable === true) {\n this.interval = setInterval(() => this.messageFetch(), messageAutoInterval);\n document.addEventListener('mousemove', this.detectActivity);\n document.addEventListener('click', this.detectActivity);\n } else {\n this.messageFetch();\n }\n });\n }\n\n detectActivity() {\n this.setState({ lastActivityTime: new Date() });\n }\n\n handleShow() {\n MessagesFetcher.fetchMessages(0)\n .then((result) => {\n result.messages.sort((a, b) => (a.id - b.id));\n this.setState({ showModal: true, dbNotices: result.messages });\n });\n }\n\n handleHide() {\n this.setState({ showModal: false });\n }\n\n messageAck(idx, ackAll) {\n let { dbNotices } = this.state;\n const params = {\n ids: [],\n };\n if (ackAll) {\n params.ids = _.map(dbNotices, 'id');\n } else {\n params.ids[0] = idx;\n }\n MessagesFetcher.acknowledgedMessage(params)\n .then((result) => {\n const ackIds = _.map(result.ack, 'id');\n dbNotices = _.filter(this.state.dbNotices, o => !_.includes(ackIds, o.id));\n dbNotices.sort((a, b) => (a.id - b.id));\n this.setState({\n dbNotices\n });\n });\n }\n\n messageFetch() {\n const { lastActivityTime, idleTimeout } = this.state;\n const clientLastActivityTime = new Date(lastActivityTime).getTime();\n const currentTime = new Date().getTime();\n const remainTime = Math.floor((currentTime - clientLastActivityTime) / 1000);\n if (remainTime < idleTimeout) {\n MessagesFetcher.fetchMessages(0)\n .then((result) => {\n result.messages.sort((a, b) => (a.id - b.id));\n this.setState({ dbNotices: result.messages, serverVersion: result.version });\n });\n }\n }\n\n renderBody() {\n const { dbNotices } = this.state;\n\n let bMessages = (\n| \n No new messages.\n | \n
| \n | \n \n { not.content.data }\n \n {changeUrl(not.content.url, not.content.url_title)}\n | \n
\n {\n noticeNum <= 0 ? {noticeNum} :\n \n \n {noticeNum}\n \n }\n {this.renderModal()}\n
\n );\n }\n}\n","import React from 'react';\nimport { Button } from 'react-bootstrap';\nimport 'whatwg-fetch';\n\nimport InboxActions from '../actions/InboxActions';\n\nexport default class InboxButton extends React.Component {\n componentDidMount() {\n }\n\n componentWillUnmount() {\n }\n\n render() {\n return (\n \n \n \n \n \n \n \n \n \n \n \n
\n );\n }\n}\n\nContextActions.propTypes = {\n updateModalProps: PropTypes.func.isRequired,\n customClass: PropTypes.string,\n};\n\nContextActions.defaultProps = {\n customClass: null,\n};\n","import React from 'react'\nimport {NavDropdown, Navbar, MenuItem} from 'react-bootstrap';\n\nconst NavHead = () => {\n let isHome = window.location.href.match(/\\/home/)\n return(\n \n \n \n \n \n \n \n this.handleUpdateFilters(id, \"value\", e.target.value)}\n />\n
\n )\n })\n\n }\n\n return dynamicRow\n }\n\n render() {\n let {showFilters, currentOption, filters} = this.state\n if (!showFilters) return ()\n\n return (\n \n
\n )\n }\n}\n","import React from 'react';\nimport { Nav, Navbar, Tooltip, OverlayTrigger } from 'react-bootstrap';\nimport UserAuth from './UserAuth';\nimport Search from './search/Search';\nimport ManagingActions from './managing_actions/ManagingActions';\nimport ContextActions from './contextActions/ContextActions';\nimport UserStore from './stores/UserStore';\nimport UIStore from './stores/UIStore'\nimport UserActions from './actions/UserActions';\nimport UIActions from './actions/UIActions';\nimport ElementActions from './actions/ElementActions';\nimport NavNewSession from '../libHome/NavNewSession'\nimport NavHead from '../libHome/NavHead'\nimport DocumentHelper from '../components/utils/DocumentHelper';\nimport NavigationModal from './NavigationModal';\nimport SearchFilter from './search/SearchFilter.js'\n\nconst colMenuTooltip = \n
\n \n \n \n \n \n \n this.handleUpdateFilters(0, \"value\", e.target.value)}\n />\n
\n {this.renderDynamicRow()}\n \n \n \n
\n \n { this.notificationSystem = notification; }} />\n
\n );\n }\n}\n\nconst getStores = () => [NotificationStore];\nconst getPropsFromStores = () => NotificationStore.getState();\nexport default connectToStores({ getStores, getPropsFromStores }, Notifications);\n","import React, { Component } from 'react';\nimport TreeSelect from 'antd/lib/tree-select';\nimport PropTypes from 'prop-types';\nimport UserStore from './stores/UserStore';\n\nconst filterTreeNode = (input, child) => {\n return String(child.props.search && child.props.search.toLowerCase()).indexOf(input && input.toLowerCase()) !== -1;\n};\nexport default class OlsTreeSelect extends Component {\n constructor(props) {\n super(props);\n this.OnSelectChange = this.OnSelectChange.bind(this);\n }\n\n OnSelectChange(e) {\n const sel = e || '';\n this.props.onSelectChange(sel, this.props.selectName);\n }\n\n render() {\n const { rxnos, chmos } = UserStore.getState();\n let treeData = [];\n switch (this.props.selectName) {\n case 'rxno':\n treeData = rxnos;\n break;\n case 'chmo':\n treeData = chmos;\n break;\n default:\n break;\n }\n\n return (\n \n
\n \n \n
\n | {u.name} | \n{u.initials} | \n\n | {this.renderUserButtons(groupElement, u)} | \n
\n \n \n \n Create new group\n \n \n \n \n \n \n \n \n \n My Groups\n \n \n \n \n \n
\n \n \n \n \n \n My Devices\n \n \n \n \n \n
\n \n \n
\n | Name | \nKürzel | \nAdmin by | \n\n |
|---|
| Name | \nKürzel | \n\n |
|---|
{g.subject}
\n \n \n {tbody}\n \n
\n
\n \n \n {this.renderModal()}\n this.handleLabelClose()} />\n {this.renderSubscribeModal()}\n {this.renderDeviceMetadataModal()}\n
\n );\n }\n}\n\nUserAuth.propTypes = {\n currentUser: PropTypes.object,\n selectUsers: PropTypes.bool,\n}\n","import React, { Component } from 'react';\nimport PropTypes from 'prop-types';\nimport { Modal, Checkbox, Table, thead, tr, th, td, Col, Badge, Panel, ButtonGroup, Button, Form, FormGroup, FormControl, ControlLabel, InputGroup } from 'react-bootstrap';\nimport { CirclePicker } from 'react-color';\nimport Select from 'react-select';\nimport UsersFetcher from './fetchers/UsersFetcher';\nimport NotificationActions from './actions/NotificationActions';\nimport UserActions from './actions/UserActions';\nimport UserStore from './stores/UserStore';\nimport MatrixCheck from './common/MatrixCheck';\n\nconst UL_FUNC_NAME = 'userLabel';\n\nclass UserLabelModal extends Component {\n constructor(props) {\n super(props);\n this.state = {\n labels: [],\n label: {},\n showDetails: false,\n defaultColor: '#428BCA'\n };\n this.onChange = this.onChange.bind(this);\n this.handelNewLabel = this.handelNewLabel.bind(this);\n this.handleSaveLabel = this.handleSaveLabel.bind(this);\n this.handleBackButton = this.handleBackButton.bind(this);\n this.handleAcessChange = this.handleAcessChange.bind(this);\n this.handleColorPicker = this.handleColorPicker.bind(this);\n this.handleEditLabelClick = this.handleEditLabelClick.bind(this);\n }\n\n componentDidMount() {\n UserStore.listen(this.onChange);\n }\n\n componentWillUnmount() {\n UserStore.unlisten(this.onChange);\n }\n\n onChange(state) {\n const { currentUser, labels } = state;\n const list = (labels || []).filter(r => (r.access_level === 2 || r.user_id === (currentUser && currentUser.id))) || [];\n\n this.setState({\n labels: list\n });\n }\n\n handleEditLabelClick(e, label) {\n this.setState({ showDetails: true, label });\n }\n\n handelNewLabel() {\n this.setState({\n label: {},\n showDetails: true\n });\n }\n\n handleColorPicker(color, event) {\n const { label } = this.state;\n label.color = color.hex;\n this.setState({\n label\n });\n }\n\n handleAcessChange(val, e) {\n const { label } = this.state;\n label.access_level = (val === true || val === 1) ? 1 : 0;\n this.setState({\n label\n });\n }\n\n handleBackButton() {\n this.setState({\n showDetails: false\n });\n }\n\n handleSaveLabel() {\n const { label } = this.state;\n if (typeof (this.titleInput) !== 'undefined' && this.titleInput) {\n label.title = this.titleInput.value;\n }\n if (typeof (this.descInput) !== 'undefined' && this.descInput) {\n label.description = this.descInput.value;\n }\n if (typeof (this.colorInput) !== 'undefined' && this.colorInput) {\n label.color = this.colorInput.value;\n }\n\n if (label.title != null && label.title.trim().length !== 0) {\n UsersFetcher.updateUserLabel({\n id: label.id,\n title: label.title,\n access_level: (label.access_level === true || label.access_level === 1) ? 1 : 0,\n description: label.description,\n color: label.color\n }).then(() => {\n UserActions.fetchUserLabels();\n this.setState({\n showDetails: false\n });\n }).catch((errorMessage) => {\n console.log(errorMessage);\n });\n } else {\n NotificationActions.removeByUid('createUserLabel');\n const notification = {\n title: 'Create User Label',\n message: 'Title is empty',\n level: 'error',\n dismissible: 'button',\n autoDismiss: 5,\n position: 'tr',\n uid: 'createUserLabel'\n };\n NotificationActions.add(notification);\n }\n }\n\n renderUserLabels() {\n const { labels } = this.state;\n if (labels == null || labels.length === 0) {\n return ();\n }\n\n return (labels || []).map((g) => {\n const badgeStyle = {\n backgroundColor: g.color || this.state.defaultColor\n };\n let accessLabel = '';\n switch (g.access_level) {\n case 0:\n accessLabel = 'Private';\n break;\n case 1:\n accessLabel = 'Public';\n break;\n case 2:\n accessLabel = 'Global';\n break;\n default:\n accessLabel = '';\n }\n return (\n \n \n \n \n \n \n
\n \n
);\n }\n\n renderLabel() {\n const { label } = this.state;\n const bcStyle = {\n backgroundColor: label.color || this.state.defaultColor\n };\n\n return (\n \n );\n }\n\n\n render() {\n const { showLabelModal } = this.props;\n return (\n \n \n \n \n
\n | Label | \nAccess | \nDescription | \nColor | \nAction | \n
|---|
\n \n My Labels \n this.handleSelectChange(e)}\n />\n \n
\n );\n }\n}\n\n// eslint-disable-next-line react/no-multi-comp\nclass ShowUserLabels extends React.Component {\n constructor(props) {\n super(props);\n this.state = {\n currentUser: (UserStore.getState() && UserStore.getState().currentUser) || {},\n labels: (UserStore.getState() && UserStore.getState().labels) || []\n };\n this.onChange = this.onChange.bind(this);\n }\n\n componentDidMount() {\n UserStore.listen(this.onChange);\n }\n\n componentWillUnmount() {\n UserStore.unlisten(this.onChange);\n }\n\n onChange(state) {\n const { currentUser, labels } = state;\n this.setState({\n currentUser,\n labels\n });\n }\n\n render() {\n const { element } = this.props;\n const { currentUser, labels } = this.state;\n const curLableIds = (element.tag && element.tag.taggable_data) ? element.tag.taggable_data.user_labels : [];\n\n if (!MatrixCheck(currentUser && currentUser.matrix, UL_FUNC_NAME)) {\n return ();\n }\n const elementLabels = (labels || []).filter(r => (\n (curLableIds || []).includes(r.id) && (r.access_level > 0 || r.user_id === currentUser.id)\n )).map(ll => (\n \n
\n );\n}\n\nManagementTable.propTypes = {\n columnDefs: PropTypes.arrayOf(PropTypes.object).isRequired,\n data: PropTypes.arrayOf(PropTypes.object).isRequired,\n defaultColDef: PropTypes.object.isRequired, // eslint-disable-line react/forbid-prop-types\n style: PropTypes.object.isRequired, // eslint-disable-line react/forbid-prop-types\n onGridReady: PropTypes.func.isRequired,\n};\n\nexport default class AbbreviationManagement extends React.Component {\n constructor() {\n super();\n\n this.createAbbreviation = this.createAbbreviation.bind(this);\n this.onAbbGridReady = this.onAbbGridReady.bind(this);\n this.onSuperatomGridReady = this.onSuperatomGridReady.bind(this);\n }\n\n onAbbGridReady(e) {\n const { onGridReady } = this.props;\n onGridReady(e, true);\n }\n\n onSuperatomGridReady(e) {\n const { onGridReady } = this.props;\n onGridReady(e, false);\n }\n\n createAbbreviation() {\n const { createAbbreviation, newAbb } = this.props;\n const abb = this.abbRef.value;\n const smiles = this.smilesRef.value;\n\n createAbbreviation(abb, smiles, newAbb);\n }\n\n render() {\n const {\n abbColumnDefs, superatomColumnDefs, abbreviations, superatoms,\n defaultColDef, newAbb, changeTypeCreate\n } = this.props;\n const newText = newAbb ? 'Abbreviation' : 'Superatom';\n\n return (\n \n
\n
\n );\n }\n}\n\nAbbreviationManagement.propTypes = {\n abbColumnDefs: PropTypes.arrayOf(PropTypes.object).isRequired,\n superatomColumnDefs: PropTypes.arrayOf(PropTypes.object).isRequired,\n defaultColDef: PropTypes.object.isRequired, // eslint-disable-line react/forbid-prop-types\n abbreviations: PropTypes.arrayOf(PropTypes.object).isRequired,\n superatoms: PropTypes.arrayOf(PropTypes.object).isRequired,\n onGridReady: PropTypes.func.isRequired,\n newAbb: PropTypes.bool.isRequired,\n changeTypeCreate: PropTypes.func.isRequired,\n createAbbreviation: PropTypes.func.isRequired,\n};\n","import PropTypes from 'prop-types';\nimport React from 'react';\n// import { connect } from 'react-redux';\nimport { Button } from 'react-bootstrap';\nimport 'whatwg-fetch';\n\n// import * as types from '../actions/ActionTypes';\n// import { CALL_API } from '../middleware/api';\nimport AbbreviationManagement from '../components/AbbreviationManagement';\n\nfunction RemoveRowBtn({ onClick, node }) {\n const col = node.columnApi.getColumn('abb');\n const { headerName } = col.colDef;\n const newAbb = headerName === 'Abbreviation';\n\n return (\n \n \n \n
\n \n
\n
\n \n Retrieve reaction(s)/molecule(s) from file(s).\n Current support file types: CDX, CDXML, DOC, DOCX, ZIP.\n
\n Clean Up\n\n Clean up molecule(s) structure.\n All structures will be cleaned up if no molecule(s)/reaction(s) are selected.\n
\n Add solvents/reagents\n\n Solvents/Reagents from the list will be added to the selected reaction(s).\n
\n Abbreviation Management\n\n Management UI for abbreviations and superatoms\n
\n Export\n\n Export selected elements to CML or Excel.\n All elements will be exported if none are selected.\n
\n\n \n \n \n { this.molInput = molInput; }}\n onChange={this.scanFilesForMolecules}\n />\n { this.reactionInput = reactionInput; }}\n onChange={this.scanFilesForReactions}\n />\n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n \n
\n );\n }\n}\n\nHeaderMenu.propTypes = {\n ui: PropTypes.instanceOf(Map).isRequired,\n reactions: PropTypes.instanceOf(List).isRequired,\n molecules: PropTypes.instanceOf(List).isRequired,\n scanFile: PropTypes.func.isRequired,\n showNotification: PropTypes.func.isRequired,\n cleanUp: PropTypes.func.isRequired,\n toggleAbbView: PropTypes.func.isRequired,\n addSmi: PropTypes.func.isRequired,\n};\n","export const ionicLiquids = {\n \"1-(2-Hydroxyethyl)-3-methylimidazolium Chloride\": \"C[N+]1=CN(CCO)C=C1.[Cl-]\",\n \"1-(2-Hydroxyethyl)-3-methylimidazolium Tetrafluoroborate\": \"C[N+]1=CN(CCO)C=C1.F[B-](F)(F)F\",\n \"1,2-Dimethyl-3-propylimidazolium Iodide\": \"CCC[N+]1=C(C)N(C)C=C1.[I-]\",\n \"1,3-Dimethylimidazolium Chloride\": \"C[N+]1=CN(C)C=C1.[Cl-]\",\n \"1,3-Dimethylimidazolium Dimethyl Phosphate\": \"C[N+]1=CN(C)C=C1.O=P(OC)([O-])OC\",\n \"1,3-Dimethylimidazolium Iodide\": \"C[N+]1=CN(C)C=C1.[I-]\",\n \"1,3-Dimethylimidazolium Methyl Sulfate\": \"C[N+]1=CN(C)C=C1.O=S(OC)([O-])=O\",\n \"1-Allyl-3-methylimidazolium Chloride\": \"C[N+]1=CN(CC=C)C=C1.[Cl-]\",\n \"1-Butyl-1-methylpiperidinium Bis(trifluoromethanesulfonyl)imide\": \"C[N+]1(CCCC)CCCCC1.O=S([N-]S(=O)(C(F)(F)F)=O)(C(F)(F)F)=O\",\n \"1-Butyl-1-methylpiperidinium Bromide\": \"C[N+]1(CCCC)CCCCC1.[Br-]\",\n \"1-Butyl-1-methylpyrrolidinium Bis(trifluoromethanesulfonyl)imide\": \"C[N+]1(CCCC)CCCC1.O=S([N-]S(C(F)(F)F)(=O)=O)(C(F)(F)F)=O\",\n \"1-Butyl-1-methylpyrrolidinium Bromide\": \"C[N+]1(CCCC)CCCC1.[Br-]\",\n \"1-Butyl-1-methylpyrrolidinium Chloride\": \"C[N+]1(CCCC)CCCC1.[Cl-]\",\n \"1-Butyl-1-methylpyrrolidinium Dicyanamide\": \"C[N+]1(CCCC)CCCC1.N#C[N-]C#N\",\n \"1-Butyl-1-methylpyrrolidinium Trifluoromethanesulfonate\": \"C[N+]1(CCCC)CCCC1.O=S(C(F)(F)F)([O-])=O\",\n \"1-Butyl-2,3-dimethylimidazolium Bis(trifluoromethanesulfonyl)imide\": \"O=S([N-]S(C(F)(F)F)(=O)=O)(C(F)(F)F)=O.CC1=[N+](C)C=CN1CCCC\",\n \"1-Butyl-2,3-dimethylimidazolium Chloride\": \"C[N+]1=C(C)N(CCCC)C=C1.[Cl-]\",\n \"1-Butyl-2,3-dimethylimidazolium Hexafluorophosphate\": \"C[N+]1=C(C)N(CCCC)C=C1.F[P-](F)(F)(F)(F)F\",\n \"1-Butyl-2,3-dimethylimidazolium Tetrafluoroborate\": \"C[N+]1=C(C)N(CCCC)C=C1.F[B-](F)(F)F\",\n \"1-Butyl-2,3-dimethylimidazolium Trifluoromethanesulfonate\": \"C[N+]1=C(C)N(CCCC)C=C1.O=S(C(F)(F)F)([O-])=O\",\n \"1-Butyl-3-methylimidazolium Bis(trifluoromethanesulfonyl)imide\": \"C[N+]1=CN(CCCC)C=C1.O=S([N-]S(C(F)(F)F)(=O)=O)(C(F)(F)F)=O\",\n \"1-Butyl-3-methylimidazolium Bromide\": \"C[N+]1=CN(CCCC)C=C1.[Br-]\",\n \"1-Butyl-3-methylimidazolium Chloride\": \"C[N+]1=CN(CCCC)C=C1.[Cl-]\",\n \"1-Butyl-3-methylimidazolium Dicyanamide\": \"C[N+]1=CN(CCCC)C=C1.N#C[N-]C#N\",\n \"1-Butyl-3-methylimidazolium Hexafluorophosphate\": \"C[N+]1=CN(CCCC)C=C1.F[P-](F)(F)(F)(F)F\",\n \"1-Butyl-3-methylimidazolium Iodide\": \"C[N+]1=CN(CCCC)C=C1.[I-]\",\n \"1-Butyl-3-methylimidazolium Methanesulfonate\": \"C[N+]1=CN(CCCC)C=C1.CS(=O)([O-])=O\",\n \"1-Butyl-3-methylimidazolium Methyl Sulfate\": \"C[N+]1=CN(CCCC)C=C1.O=S(OC)([O-])=O\",\n \"1-Butyl-3-methylimidazolium Tetrachloroferrate\": \"C[N+]1=CN(CCCC)C=C1.Cl[Fe-](Cl)(Cl)Cl\",\n \"1-Butyl-3-methylimidazolium Tetrafluoroborate\": \"C[N+]1=CN(CCCC)C=C1.F[B-](F)(F)F\",\n \"1-Butyl-3-methylimidazolium Thiocyanate\": \"C[N+]1=CN(CCCC)C=C1.[S-]C#N\",\n \"1-Butyl-3-methylimidazolium Tribromide\": \"C[N+]1=CN(CCCC)C=C1.[Br-].[Br-].[Br-]\",\n \"1-Butyl-3-methylimidazolium Tricyanomethanide\": \"C[N+]1=CN(CCCC)C=C1.N#C[C-](C#N)C#N\",\n \"1-Butyl-3-methylimidazolium Trifluoro(trifluoromethyl)borate\": \"C[N+]1=CN(CCCC)C=C1.FC([B-](F)(F)F)(F)F\",\n \"1-Butyl-3-methylimidazolium Trifluoroacetate\": \"C[N+]1=CN(CCCC)C=C1.O=C([O-])C(F)(F)F\",\n \"1-Butyl-3-methylimidazolium Trifluoromethanesulfonate\": \"C[N+]1=CN(CCCC)C=C1.O=S(C(F)(F)F)([O-])=O\",\n \"1-Butyl-3-methylpyridinium Bromide\": \"CC1=C[N+](CCCC)=CC=C1.[Br-]\",\n \"1-Butyl-3-methylpyridinium Chloride\": \"CC1=C[N+](CCCC)=CC=C1.[Cl-]\",\n \"1-Butyl-4-methylpyridinium Bromide\": \"CC1=CC=[N+](CCCC)C=C1.[Br-]\",\n \"1-Butyl-4-methylpyridinium Chloride\": \"CC1=CC=[N+](CCCC)C=C1.[Cl-]\",\n \"1-Butyl-4-methylpyridinium Hexafluorophosphate\": \"CC1=CC=[N+](CCCC)C=C1.F[P-](F)(F)(F)(F)F\",\n \"1-Butylpyridinium Bis(trifluoromethanesulfonyl)imide\": \"O=S([N-]S(C(F)(F)F)(=O)=O)(C(F)(F)F)=O.CCCC[N+]1=CC=CC=C1\",\n \"1-Butylpyridinium Bromide\": \"CCCC[N+]1=CC=CC=C1.[Br-]\",\n \"1-Butylpyridinium Chloride\": \"CCCC[N+]1=CC=CC=C1.[Cl-]\",\n \"1-Butylpyridinium Hexafluorophosphate\": \"CCCC[N+]1=CC=CC=C1.F[P-](F)(F)(F)(F)F\",\n \"1-Butylpyridinium Tetrafluoroborate\": \"CCCC[N+]1=CC=CC=C1.F[B-](F)(F)F\",\n \"1-Decyl-3-methylimidazolium Bis(trifluoromethanesulfonyl)imide\": \"C[N+]1=CN(CCCCCCCCCC)C=C1.O=S(C(F)(F)F)([N-]S(C(F)(F)F)(=O)=O)=O\",\n \"1-Decyl-3-methylimidazolium Bromide\": \"C[N+]1=CN(CCCCCCCCCC)C=C1.[Br-]\",\n \"1-Decyl-3-methylimidazolium Chloride\": \"C[N+]1=CN(CCCCCCCCCC)C=C1.[Cl-]\",\n \"1-Ethyl-1-methylpyrrolidinium Bromide\": \"C[N+]1(CC)CCCC1.[Br-]\",\n \"1-Ethyl-1-methylpyrrolidinium Tetrafluoroborate\": \"C[N+]1(CC)CCCC1.F[B-](F)(F)F\",\n \"1-Ethyl-2,3-dimethylimidazolium Bis(trifluoromethanesulfonyl)imide\": \"O=S([N-]S(C(F)(F)F)(=O)=O)(C(F)(F)F)=O.CC1=[N+](C)C=CN1CC\",\n \"1-Ethyl-2-methylpyridinium Bromide\": \"CC1=CC=CC=[N+]1CC.[Br-]\",\n \"1-Ethyl-3-(hydroxymethyl)pyridinium Ethyl Sulfate\": \"OCC1=C[N+](CC)=CC=C1.O=S(OCC)([O-])=O\",\n \"1-Ethyl-3-methylimidazolium Acetate\": \"C[N+]1=CN(CC)C=C1.CC([O-])=O\",\n \"1-Ethyl-3-methylimidazolium Bis(trifluoromethanesulfonyl)imide\": \"C[N+]1=CN(CC)C=C1.O=S([N-]S(C(F)(F)F)(=O)=O)(C(F)(F)F)=O\",\n \"1-Ethyl-3-methylimidazolium Bromide\": \"C[N+]1=CN(CC)C=C1.[Br-]\",\n \"1-Ethyl-3-methylimidazolium Chloride\": \"C[N+]1=CN(CC)C=C1.[Cl-]\",\n \"1-Ethyl-3-methylimidazolium Dicyanamide\": \"CCN1C=[N+](C)C=C1.N#C[N-]C#N\",\n \"1-Ethyl-3-methylimidazolium Diethyl Phosphate\": \"C[N+]1=CN(CC)C=C1.O=P(OCC)([O-])OCC\",\n \"1-Ethyl-3-methylimidazolium Ethyl Sulfate\": \"C[N+]1=CN(CC)C=C1.O=S(OCC)([O-])=O\",\n \"1-Ethyl-3-methylimidazolium Hexafluorophosphate\": \"C[N+]1=CN(CC)C=C1.F[P-](F)(F)(F)(F)F\",\n \"1-Ethyl-3-methylimidazolium Hydrogen Sulfate\": \"C[N+]1=CN(CC)C=C1.O=S(O)([O-])=O\",\n \"1-Ethyl-3-methylimidazolium Iodide\": \"C[N+]1=CN(CC)C=C1.[I-]\",\n \"1-Ethyl-3-methylimidazolium Methanesulfonate\": \"C[N+]1=CN(CC)C=C1.CS(=O)([O-])=O\",\n \"1-Ethyl-3-methylimidazolium Methyl Sulfate\": \"C[N+]1=CN(CC)C=C1.O=S(OC)([O-])=O\",\n \"1-Ethyl-3-methylimidazolium Nitrate\": \"C[N+]1=CN(CC)C=C1.[O-][N+]([O-])=O\",\n \"1-Ethyl-3-methylimidazolium Tetrachloroferrate\": \"C[N+]1=CN(CC)C=C1.Cl[Fe-](Cl)(Cl)Cl\",\n \"1-Ethyl-3-methylimidazolium Tetrafluoroborate\": \"C[N+]1=CN(CC)C=C1.F[B-](F)(F)F\",\n \"1-Ethyl-3-methylimidazolium Thiocyanate\": \"C[N+]1=CN(CC)C=C1.[S-]C#N\",\n \"1-Ethyl-3-methylimidazolium Tricyanomethanide\": \"C[N+]1=CN(CC)C=C1.N#C[C-](C#N)C#N\",\n \"1-Ethyl-3-methylimidazolium Trifluoro(trifluoromethyl)borate\": \"C[N+]1=CN(CC)C=C1.FC([B-](F)(F)F)(F)F\",\n \"1-Ethyl-3-methylimidazolium Trifluoroacetate\": \"C[N+]1=CN(CC)C=C1.O=C([O-])C(F)(F)F\",\n \"1-Ethyl-3-methylimidazolium Trifluoromethanesulfonate\": \"C[N+]1=CN(CC)C=C1.O=S(C(F)(F)F)([O-])=O\",\n \"1-Ethyl-3-methylimidazolium p-Toluenesulfonate\": \"C[N+]1=CN(CC)C=C1.CC2=CC=C(S(=O)([O-])=O)C=C2\",\n \"1-Ethyl-3-methylpyridinium Bis(trifluoromethanesulfonyl)imide\": \"CC1=CC=C[N+](CC)=C1.O=S([N-]S(C(F)(F)F)(=O)=O)(C(F)(F)F)=O\",\n \"1-Ethyl-3-methylpyridinium Ethyl Sulfate\": \"CC1=C[N+](CC)=CC=C1.O=S(OCC)([O-])=O\",\n \"1-Ethyl-4-methylpyridinium Bromide\": \"CC1=CC=[N+](CC)C=C1.[Br-]\",\n \"1-Ethylpyridinium Bromide\": \"CC[N+]1=CC=CC=C1.[Br-]\",\n \"1-Ethylpyridinium Chloride\": \"CC[N+]1=CC=CC=C1.[Cl-]\",\n \"1-Hexyl-2,3-dimethylimidazolium Iodide\": \"C[N+]1=C(C)N(CCCCCC)C=C1.[I-]\",\n \"1-Hexyl-3-methylimidazolium Bis(trifluoromethanesulfonyl)imide\": \"C[N+]1=CN(CCCCCC)C=C1.O=S([N-]S(=O)(C(F)(F)F)=O)(C(F)(F)F)=O\",\n \"1-Hexyl-3-methylimidazolium Bromide\": \"C[N+]1=CN(CCCCCC)C=C1.[Br-]\",\n \"1-Hexyl-3-methylimidazolium Chloride\": \"C[N+]1=CN(CCCCCC)C=C1.[Cl-]\",\n \"1-Hexyl-3-methylimidazolium Hexafluorophosphate\": \"C[N+]1=CN(CCCCCC)C=C1.F[P-](F)(F)(F)(F)F\",\n \"1-Hexyl-3-methylimidazolium Iodide\": \"C[N+]1=CN(CCCCCC)C=C1.[I-]\",\n \"1-Hexyl-3-methylimidazolium Tetrafluoroborate\": \"C[N+]1=CN(CCCCCC)C=C1.F[B-](F)(F)F\",\n \"1-Hexyl-3-methylimidazolium Trifluoromethanesulfonate\": \"C[N+]1=CN(CCCCCC)C=C1.O=S(C(F)(F)F)([O-])=O\",\n \"1-Hexylpyridinium Hexafluorophosphate\": \"CCCCCC[N+]1=CC=CC=C1.F[P-](F)(F)(F)(F)F\",\n \"1-Methyl-1-propylpiperidinium Bis(fluorosulfonyl)imide\": \"O=S([N-]S(C(F)(F)F)(=O)=O)(C(F)(F)F)=O.C[N+]1(CCC)CCCCC1\",\n \"1-Methyl-1-propylpiperidinium Bromide\": \"CCC[N+]1(C)CCCCC1.[Br-]\",\n \"1-Methyl-1-propylpyrrolidinium Bis(trifluoromethanesulfonyl)imide\": \"O=S(NS(C(F)(F)F)(=O)=O)(C(F)(F)F)=O.C[N+]1(CCC)CCCC1\",\n \"1-Methyl-3-n-octylimidazolium Bromide\": \"CCCCCCCC[N+]1=CN(C)C=C1.[Br-]\",\n \"1-Methyl-3-n-octylimidazolium Chloride\": \"CCCCCCCC[N+]1=CN(C)C=C1.[Cl-]\",\n \"1-Methyl-3-n-octylimidazolium Hexafluorophosphate\": \"CCCCCCCC[N+]1=CN(C)C=C1.F[P-](F)(F)(F)(F)F\",\n \"1-Methyl-3-n-octylimidazolium Tetrafluoroborate\": \"CCCCCCCC[N+]1=CN(C)C=C1.F[B-](F)(F)F\",\n \"1-Methyl-3-n-octylimidazolium Trifluoromethanesulfonate\": \"CCCCCCCC[N+]1=CN(C)C=C1.O=S(C(F)(F)F)([O-])=O\",\n \"1-Methyl-3-pentylimidazolium Bromide\": \"CCCCC[N+]1=CN(C)C=C1.[Br-]\",\n \"1-Methyl-3-pentylimidazolium Tetrafluoroborate\": \"CCCCC[N+]1=CN(C)C=C1.F[B-](F)(F)F\",\n \"1-Methyl-3-propylimidazolium Bromide\": \"CCC[N+]1=CN(C)C=C1.[Br-]\",\n \"1-Methyl-3-propylimidazolium Chloride\": \"CCC[N+]1=CN(C)C=C1.[Cl-]\",\n \"1-Methyl-3-propylimidazolium Iodide\": \"CCC[N+]1=CN(C)C=C1.[I-]\",\n \"1-Methyl-3-propylimidazolium Tetrafluoroborate\": \"CCC[N+]1=CN(C)C=C1.F[B-](F)(F)F\",\n \"1-Propylpyridinium Chloride\": \"CCC[N+]1=CC=CC=C1.[Cl-]\",\n \"2,3-Dimethyl-1-propylimidazolium Bis(trifluoromethanesulfonyl)imide\": \"CN1C(C)=[N+](CCC)C=C1.O=S([N-]S(C(F)(F)F)(=O)=O)(C(F)(F)F)=O\",\n \"4-Ethyl-4-methylmorpholinium Bromide\": \"C[N+]1(CC)CCOCC1.[Br-]\",\n \"Amyltriethylammonium Bis(trifluoromethanesulfonyl)imide\": \"CCC[N+](CCC)(CCC)CCC.FC(F)(F)S([N-]S(C(F)(F)F)(=O)=O)(=O)=O\",\n \"Cyclohexyltrimethylammonium Bis(trifluoromethanesulfonyl)imide\": \"C[N+](C)(C)C1CCCCC1.O=S([N-]S(C(F)(F)F)(=O)=O)(C(F)(F)F)=O\",\n \"Diethyl(2-methoxyethyl)methylammonium Bis(fluorosulfonyl)imide\": \"FC(F)(F)S(=O)([N-]S(=O)(C(F)(F)F)=O)=O.C[N+](CC)(CC)CCOC\",\n \"Methyltri-n-octylammonium Bis(trifluoromethanesulfonyl)imide\": \"O=S([N-]S(C(F)(F)F)(=O)=O)(C(F)(F)F)=O.C[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC\",\n \"Tetraamylammonium Bromide\": \"CCCCC[N+](CCCCC)(CCCCC)CCCCC.[Br-]\",\n \"Tetraamylammonium Chloride\": \"CCCCC[N+](CCCCC)(CCCCC)CCCCC.[Cl-]\",\n \"Tetraamylammonium Iodide\": \"CCCCC[N+](CCCCC)(CCCCC)CCCCC.[I-]\",\n \"Tetrabutylammonium Acetate\": \"CCCC[N+](CCCC)(CCCC)CCCC.CC([O-])=O\",\n \"Tetrabutylammonium Bromide\": \"CCCC[N+](CCCC)(CCCC)CCCC.[Br-]\",\n \"Tetrabutylammonium Chloride\": \"CCCC[N+](CCCC)(CCCC)CCCC.[Cl-]\",\n \"Tetrabutylammonium Hexafluorophosphate\": \"CCCC[N+](CCCC)(CCCC)CCCC.F[P-](F)(F)(F)(F)F\",\n \"Tetrabutylammonium Iodide\": \"CCCC[N+](CCCC)(CCCC)CCCC.[I-]\",\n \"Tetrabutylammonium Tetrafluoroborate\": \"CCCC[N+](CCCC)(CCCC)CCCC.F[B-](F)(F)F\",\n \"Tetrabutylammonium Trifluoromethanesulfonate\": \"CCCC[N+](CCCC)(CCCC)CCCC.O=S(C(F)(F)F)([O-])=O\",\n \"Tetrabutylphosphonium Bromide\": \"CCCC[P+](CCCC)(CCCC)CCCC.[Br-]\",\n \"Tetrabutylphosphonium Hexafluorophosphate\": \"CCCC[P+](CCCC)(CCCC)CCCC.F[P-](F)(F)(F)(F)F\",\n \"Tetrabutylphosphonium Tetrafluoroborate\": \"CCCC[P+](CCCC)(CCCC)CCCC.F[B-](F)(F)F\",\n \"Tetraheptylammonium Bromide\": \"CCCCCCC[N+](CCCCCCC)(CCCCCCC)CCCCCCC.[Br-]\",\n \"Tetraheptylammonium Iodide\": \"CCCCCCC[N+](CCCCCCC)(CCCCCCC)CCCCCCC.[I-]\",\n \"Tetrahexylammonium Bromide\": \"CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC.[Br-]\",\n \"Tetrahexylammonium Iodide\": \"CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC.[I-]\",\n \"Tetra-n-octylammonium Bromide\": \"CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC.[Br-]\",\n \"Tetra-n-octylammonium Iodide\": \"CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC.[I-]\",\n \"Tetra-n-octylphosphonium Bromide\": \"CCCCCCCC[P+](CCCCCCCC)(CCCCCCCC)CCCCCCCC.[Br-]\",\n \"Tetrapropylammonium Chloride\": \"CCC[N+](CCC)(CCC)CCC.[Cl-]\",\n \"Tributyl(2-methoxyethyl)phosphonium Bis(trifluoromethanesulfonyl)imide\": \"CCCC[P+](CCCC)(CCCC)CCOC.FC(F)(S([N-]S(C(F)(F)F)(=O)=O)(=O)=O)F\",\n \"Tributyl(ethyl)phosphonium Diethyl Phosphate\": \"CC[P+](CCCC)(CCCC)CCCC.O=P(OCC)([O-])OCC\",\n \"Tributyl(methyl)ammonium Dicyanamide\": \"[H]C(C([H])([H])C([H])([H])C([H])([H])[H])([H])[N+](C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H].[N-]=C=NC#N\",\n \"Tributylhexadecylphosphonium Bromide\": \"CCCCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC.[Br-]\",\n \"Tributylmethylammonium Bis(trifluoromethanesulfonyl)imide\": \"FC(F)(S([N-]S(C(F)(F)F)(=O)=O)(=O)=O)F.C[N+](CCCC)(CCCC)CCCC\",\n \"Tributylmethylphosphonium Bis(trifluoromethanesulfonyl)imide\": \"C[P+](CCCC)(CCCC)CCCC.FC(F)(S([N-]S(C(F)(F)F)(=O)=O)(=O)=O)F\",\n \"Tributylmethylphosphonium Iodide\": \"C[P+](CCCC)(CCCC)CCCC.[I-]\",\n \"Tributyl-n-octylphosphonium Bromide\": \"CCCCCCCC[P+](CCCC)(CCCC)CCCC.[Br-]\",\n \"Tributylsulfonium Iodide\": \"CCCC[S+](CCCC)CCCC.[I-]\",\n \"Triethylsulfonium Bis(trifluoromethanesulfonyl)imide\": \"O=S([N-]S(C(F)(F)F)(=O)=O)(C(F)(F)F)=O.CC[S+](CC)CC\",\n \"Trihexyl(tetradecyl)phosphonium Chloride\": \"CCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCC.[Cl-]\",\n \"Trihexyl(tetradecyl)phosphonium Dicyanamide\": \"CCCCCC[P+](CCCCCC)(CCCCCC)CCCCCCCCCCCCCC.N#C[N-]C#N\",\n \"Trimethylpropylammonium Bis(trifluoromethanesulfonyl)imide\": \"CCC[N+](C)(C)C.O=S([N-]S(C(F)(F)F)(=O)=O)(C(F)(F)F)=O\",\n \"Trimethylsulfonium Iodide\": \"C[S+](C)C.[I-]\",\n}\n","export const catalyst = {\n \"Aluminum(III) Bromide\": \"[Al+3].[Br-].[Br-].[Br-]\",\n \"Aluminum(III) Chloride\": \"[Al+3].[Cl-].[Cl-].[Cl-]\",\n \"Triphenylarsine\": \"[As](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3\",\n \"Copper(I) Cyanide\": \"[C-]#N.[Cu+]\",\n \"Bromodicarbonyl[bis[2-(diisopropylphosphino)ethyl]amine]manganese(I)\": \"[C]=O.[C]=O.CC(P(CCNCCP(C(C)C)C(C)C)C(C)C)C.[Mn]Br\",\n \"Carbonyl(dihydrido)tris(triphenylphosphine)ruthenium(II)\": \"[C]=O.[H][Ru][H].P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.P(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.P(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9\",\n \"Carbonylhydridotris(triphenylphosphine)iridium(I)\": \"[C]=O.[Ir][H].P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.P(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.P(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9\",\n \"Carbonylchlorobis(triphenylphosphine)iridium(I)\": \"[C]=O.[Ir]Cl.P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.P(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6\",\n \"Tetraphenylarsonium Chloride Hydrochloride Hydrate\": \"[H]O[H].[H]Cl.C1([As+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)=CC=CC=C1.[Cl-]\",\n \"Iridium(III) Chloride Hydrate\": \"[H]O[H].[Ir+3].[Cl-].[Cl-].[Cl-]\",\n \"Chloro(1,5-cyclooctadiene)iridium(I)\": \"[Ir]Cl.C1=C\\\\CC/C=C\\\\CC/1\",\n \"Chlorobis(cyclooctene)iridium(I)\": \"[Ir]Cl.C1=C\\\\CCCCCC/1.C2=C\\\\CCCCCC/2\",\n \"(1,5-Cyclooctadiene)(methoxy)iridium(I)\": \"[Ir]OC.C1=C\\\\CC/C=C\\\\CC/1\",\n \"Lead(II) Iodide\": \"[Pb+2].[I-].[I-]\",\n \"Palladium Carbon \": \"[Pd]\",\n \"Allylpalladium(II) Chloride\": \"[Pd+]CC=C.[Cl-]\",\n \"Palladium(II) Chloride\": \"[Pd+2].[Cl-].[Cl-]\",\n \"Palladium Hydroxide\": \"[Pd+2].[OH-].[OH-]\",\n \"Platinum(IV) Oxide\": \"[Pt+4].[O-2].[O-2]\",\n \"Chloro(1,5-cyclooctadiene)rhodium(I)\": \"[Rh]Cl.C1=C\\\\CC/C=C\\\\CC/1\",\n \"Chlorobis(cyclooctene)rhodium(I)\": \"[Rh]Cl.C1=C\\\\CCCCCC/1.C2=C\\\\CCCCCC/2\",\n \"(Pentamethylcyclopentadienyl)rhodium(III) Dichloride\": \"[Rh+2]C1=C(C)C(C)=C(C)C1(C)C.[Cl-].[Cl-]\",\n \"Cyclopentadienylbis(triphenylphosphine)ruthenium(II) Chloride\": \"[Ru+]C1=CC=CC1.P(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.P(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7.[Cl-]\",\n \"Benzeneruthenium(II) Chloride\": \"[Ru+2].C1=CC=CC=C1.[Cl-].[Cl-]\",\n \"Ruthenium(III) Chloride\": \"[Ru+3].[Cl-].[Cl-].[Cl-]\",\n \"Triphenylantimony\": \"[Sb](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3\",\n \"Triphenylphosphine Selenide\": \"[Se]=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3\",\n \"Tin(IV) Chloride\": \"[Sn+4].[Cl-].[Cl-].[Cl-].[Cl-]\",\n \"Tellurium(IV) Oxide\": \"[Te+4].[O-2].[O-2]\",\n \"Cyclopentadienyl Thallium\": \"[Tl]C1=CC=CC1\",\n \"Zinc Bromide\": \"[Zn+2].[Br-].[Br-]\",\n \"Zinc Chloride\": \"[Zn+2].[Cl-].[Cl-]\",\n \"Lithium (E)-4-oxopent-2-en-2-olate\": \"C/C([O-])=C\\\\C(C)=O.[Li+]\",\n \"Methyltriphenylarsonium Iodide\": \"C[As+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[I-]\",\n \"2-Chloro-1,3-dimethylimidazolinium Tetrafluoroborate\": \"C[N+]1=C(Cl)N(C)CC1.F[B-](F)(F)F\",\n \"1,1'-(2,6-Pyridinediyl)bis(3-methylimidazolium) Dibromide\": \"C[N+]1=CN(C2=NC(N3C=C[N+](C)=C3)=CC=C2)C=C1.[Br-].[Br-]\",\n \"Di-tert-butylmethylphosphonium Tetraphenylborate\": \"C[PH+](C(C)(C)C)C(C)(C)C.C1([B-](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)=CC=CC=C1\",\n \"Chloro(1,5-hexadiene)rhodium(I)\": \"C=CCCC=C.[Rh]Cl\",\n \"Tetraphenylgermane\": \"C1([Ge](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)=CC=CC=C1\",\n \"Tetraphenyl Lead\": \"C1([Pb](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)=CC=CC=C1\",\n \"(R)-(+)-2,2'-bis(diphenylphosphino)-1,1'-binaphthyl\": \"C1(C2=C3C=CC=CC3=CC=C2P(C4=CC=CC=C4)C5=CC=CC=C5)=C6C=CC=CC6=CC=C1P(C7=CC=CC=C7)C8=CC=CC=C8\",\n \"[(S)-2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl]ruthenium(II) Dichloride\": \"C1(C2=C3C=CC=CC3=CC=C2P(C4=CC=CC=C4)C5=CC=CC=C5)=C6C=CC=CC6=CC=C1P(C7=CC=CC=C7)C8=CC=CC=C8.[Ru+2].[Cl-].[Cl-]\",\n \"Norbornadiene Rhodium(I) Chloride\": \"C12C=CC(C2)C=C1.[Rh+].[Cl-]\",\n \"(S)-5,5-Diphenyl-2-methyl-3,4-propano-1,3,2-oxazaborolidine\": \"CB1OC(C2=CC=CC=C2)(C3=CC=CC=C3)[C@@]4([H])N1CCC4\",\n \"(R)-5,5-Diphenyl-2-methyl-3,4-propano-1,3,2-oxazaborolidine\": \"CB1OC(C2=CC=CC=C2)(C3=CC=CC=C3)[C@]4([H])N1CCC4\",\n \"Bis(acetonitrile)palladium(II) Dichloride\": \"CC#N.CC#N.[Pd+2].[Cl-].[Cl-]\",\n \"Tetrakis(acetonitrile)copper(I) Tetrafluoroborate\": \"CC#N.CC#N.CC#N.CC#N.F[B-](F)(F)F.[Cu+]\",\n \"Tetrakis(acetonitrile)copper(I) Hexafluorophosphate\": \"CC#N.CC#N.CC#N.CC#N.F[P-](F)(F)(F)(F)F.[Cu+]\",\n \"Tetrakis(acetonitrile)palladium(II) Bis(trifluoromethanesulfonate)\": \"CC#N.CC#N.CC#N.CC#N.O=S(C(F)(F)F)([O-])=O.O=S(C(F)(F)F)([O-])=O.[Pd+2]\",\n \"1,3-Di-tert-butylimidazolium Tetrafluoroborate\": \"CC([N+]1=CN(C(C)(C)C)C=C1)(C)C.F[B-](F)(F)F\",\n \"1,3-Diisopropylimidazolium Tetrafluoroborate\": \"CC([N+]1=CN(C(C)C)C=C1)C.F[B-](F)(F)F\",\n \"1,3-Diisopropylimidazolinium Tetrafluoroborate\": \"CC([N+]1=CN(C(C)C)CC1)C.F[B-](F)(F)F\",\n \"Copper(I) Acetate\": \"CC([O-])=O.[Cu+]\",\n \"Iron(II) Acetate\": \"CC([O-])=O.CC([O-])=O.[Fe+2]\",\n \"Copper(II) Acetate Monohydrate\": \"CC([O-])=O.CC([O-])=O.[H]O[H].[Cu+2]\",\n \"Rhodium(II) Acetate\": \"CC([O-])=O.CC([O-])=O.[Rh+2]\",\n \"Lead Tetraacetate \": \"CC([O-])=O.CC([O-])=O.CC([O-])=O.CC([O-])=O.[Pb+4]\",\n \"Bis(triphenylphosphine)palladium(II) Diacetate\": \"CC([O-])=O.CC([O-])=O.P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.P(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Pd+2]\",\n \"2-Chloro-1,3-bis(2,6-diisopropylphenyl)-1H-imidazolium Chloride\": \"CC(C1=C([N+]2=C(Cl)N(C3=C(C(C)C)C=CC=C3C(C)C)C=C2)C(C(C)C)=CC=C1)C.[Cl-]\",\n \"1,3-Bis(2,6-diisopropylphenyl)imidazolium Chloride\": \"CC(C1=C([N+]2=CN(C3=C(C(C)C)C=CC=C3C(C)C)C=C2)C(C(C)C)=CC=C1)C.[Cl-]\",\n \"1,3-Bis(2,6-diisopropylphenyl)imidazolinium Chloride\": \"CC(C1=C([N+]2=CN(C3=C(C(C)C)C=CC=C3C(C)C)CC2)C(C(C)C)=CC=C1)C.[Cl-]\",\n \"Chloro[1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene]copper(I)\": \"CC(C1=C(N(C=CN2C3=C(C(C)C)C=CC=C3C(C)C)C2=[Cu-2]Cl)C(C(C)C)=CC=C1)C\",\n \"1,3-Bis(2,6-diisopropylphenyl)imidazol-2-ylidene\": \"CC(C1=C(N2[C]N(C3=C(C(C)C)C=CC=C3C(C)C)C=C2)C(C(C)C)=CC=C1)C\",\n \"1,3-Bis(2,6-diisopropylphenyl)imidazolidin-2-ylidene\": \"CC(C1=C(N2[C]N(C3=C(C(C)C)C=CC=C3C(C)C)CC2)C(C(C)C)=CC=C1)C\",\n \"3,3'-Methylenebis[1-(2,6-diisopropylphenyl)-3-imidazolium Bromide]\": \"CC(C1=C(N2C=C[N+](C[N+]3=CN(C4=C(C(C)C)C=CC=C4C(C)C)C=C3)=C2)C(C(C)C)=CC=C1)C.[Br-].[Br-]\",\n \"1,3-Di-tert-butylimidazol-2-ylidene\": \"CC(N1[C]N(C(C)(C)C)C=C1)(C)C\",\n \"3,3'-Methylenebis(1-tert-butyl-3-imidazolium Bromide)\": \"CC(N1C=C[N+](C[N+]2=CN(C(C)(C)C)C=C2)=C1)(C)C.[Br-].[Br-]\",\n \"Chloro[[1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene](acetanilide)palladium(II)]\": \"CC(NC1=CC=CC=C1)=O.CC(C2=C(N(C=CN3C4=C(C(C)C)C=CC=C4C(C)C)C3=[Pd-]Cl)C(C(C)C)=CC=C2)C\",\n \"Triphenylantimony Diacetate\": \"CC(O)=O.CC(O)=O.[Sb](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3\",\n \"Bis(tri-tert-butylphosphine)palladium(0)\": \"CC(P(C(C)(C)C)C(C)(C)C)(C)C.CC(P(C(C)(C)C)C(C)(C)C)(C)C.[Pd]\",\n \"Dichloro[9,9-dimethyl-4,5-bis(diphenylphosphino)xanthene]palladium(II)\": \"CC1(C)C2=C(OC3=C1C=CC=C3P(C4=CC=CC=C4)C5=CC=CC=C5)C(P(C6=CC=CC=C6)C7=CC=CC=C7)=CC=C2.Cl[Pd]Cl\",\n \"1,3-Bis(2,4,6-trimethylphenyl)imidazolinium Chloride\": \"CC1=C([N+]2=CN(C3=C(C)C=C(C)C=C3C)CC2)C(C)=CC(C)=C1.[Cl-]\",\n \"Chloro(pentamethylcyclopentadienyl)ruthenium(II)\": \"CC1=C([Ru]Cl)C(C)(C)C(C)=C1C\",\n \"(Hexamethylbenzene)ruthenium(II) Dichloride\": \"CC1=C(C)C(C)=C(C)C(C)=C1C.[Ru+2].[Cl-].[Cl-]\",\n \"1,3-Dimesitylimidazolium Chloride\": \"CC1=CC(C)=CC(C)=C1[N+]2=CN(C3=C(C)C=C(C)C=C3C)C=C2.[Cl-]\",\n \"1,3-Dimesitylimidazol-2-ylidene\": \"CC1=CC(C)=CC(C)=C1N2[C]N(C3=C(C)C=C(C)C=C3C)C=C2\",\n \"Dichloro(p-cymene)ruthenium(II)\": \"CC1=CC=C(C(C)C)C=C1.Cl[Ru]Cl\",\n \"Nickel(II) p-Toluenesulfonate Hexahydrate\": \"CC1=CC=C(S(=O)([O-])=O)C=C1.CC2=CC=C(S(=O)([O-])=O)C=C2.[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[Ni+2]\",\n \"Bis(tri-o-tolylphosphine)palladium(II) Dichloride\": \"CC1=CC=CC=C1P(C2=CC=CC=C2C)C3=CC=CC=C3C.CC4=CC=CC=C4P(C5=CC=CC=C5C)C6=CC=CC=C6C.[Pd+2].[Cl-].[Cl-]\",\n \"1-Methyl-3-propylimidazolium Tetrafluoroborate\": \"CCC[N+]1=CN(C)C=C1.F[B-](F)(F)F\",\n \"Tetrabutylgermane\": \"CCCC[Ge](CCCC)(CCCC)CCCC\",\n \"Tin(II) 2-Ethylhexanoate\": \"CCCCC(CC)C([O-])=O.CCCCC(CC)C([O-])=O.[Sn+2]\",\n \"1-Methyl-3-pentylimidazolium Tetrafluoroborate\": \"CCCCC[N+]1=CN(C)C=C1.F[B-](F)(F)F\",\n \"Rhodium(II) Octanoate\": \"CCCCCCCC([O-])=O.CCCCCCCC([O-])=O.[Rh+2]\",\n \"Dilithium Tetrachlorocopper(II)\": \"Cl[Cu-](Cl)(Cl)Cl.Cl[Cu-](Cl)(Cl)Cl.[Li+].[Li+]\",\n \"Dichloro(1,10-phenanthroline)copper(II)\": \"Cl[Cu]Cl.C12=CC=C3C=CC=NC3=C1N=CC=C2\",\n \"Chlorobis(ethylene)iridium(I)\": \"Cl[Ir-4]12(CC2)CC1\",\n \"Sodium Tetrachloropalladate(II)\": \"Cl[Pd-2](Cl)(Cl)Cl.[Na+].[Na+]\",\n \"Chlorobis(ethylene)rhodium(I)\": \"Cl[Rh-4]12(CC2)CC1\",\n \"Triphenylantimony Dichloride\": \"Cl[Sb](C1=CC=CC=C1)(C2=CC=CC=C2)(Cl)C3=CC=CC=C3\",\n \"Boron Trichloride\": \"ClB(Cl)Cl\",\n \"[Di-tert-butyl(chloro)phosphine]palladium(II) Dichloride\": \"ClP(C(C)(C)C)C(C)(C)C.[Pd+2].[Cl-].[Cl-]\",\n \"Chloro[[1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene](N,N-dimethylbenzylamine)palladium(II)]\": \"CN(C)CC1=CC=CC=C1.CC(C2=C(N(C=CN3C4=C(C(C)C)C=CC=C4C(C)C)C3=[Pd-]Cl)C(C(C)C)=CC=C2)C\",\n \"Dichloro(N,N,N',N'-tetramethylethylenediamine)zinc(II)\": \"CN(C)CCN(C)C.Cl[Zn]Cl\",\n \"Bromo[(2,6-pyridinediyl)bis(3-methyl-1-imidazolyl-2-ylidene)]nickel Bromide\": \"CN(C=CN12)C1=[Ni-3](Br)=C3N(C)C=CN3C4=CC=CC2=N4.[Br-]\",\n \"Bis[di-tert-butyl(4-dimethylaminophenyl)phosphine]palladium(0)\": \"CN(C1=CC=C(P(C(C)(C)C)C(C)(C)C)C=C1)C.CN(C2=CC=C(P(C(C)(C)C)C(C)(C)C)C=C2)C.[Pd]\",\n \"4-(Dimethylamino)phenyldiphenylphosphine\": \"CN(C1=CC=C(P(C2=CC=CC=C2)C3=CC=CC=C3)C=C1)C\",\n \"1,4-Dimethyl-1,2,4-triazolium Iodide\": \"CN1C=N[N+](C)=C1.[I-]\",\n \"Chloro[[1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene](N,N-dimethyl-3,5-dimethoxybenzylamine)palladium(II)]\": \"COC1=CC(OC)=CC(CN(C)C)=C1.CC(C2=C(N(C=CN3C4=C(C(C)C)C=CC=C4C(C)C)C3=[Pd-]Cl)C(C(C)C)=CC=C2)C\",\n \"Dimethylphenylphosphine Borane\": \"CP(C)C1=CC=CC=C1.B\",\n \"Potassium Hexafluoroarsenate\": \"F[As-](F)(F)(F)(F)F.[K+]\",\n \"1,3-Di(1-adamantyl)imidazolium Tetrafluoroborate\": \"F[B-](F)(F)F.[N+]1(C23CC4CC(C3)CC(C4)C2)=CN(C56CC7CC(C6)CC(C7)C5)C=C1\",\n \"1,3-Di(1-adamantyl)imidazolinium Tetrafluoroborate\": \"F[B-](F)(F)F.[N+]1(C23CC4CC(C3)CC(C4)C2)=CN(C56CC7CC(C6)CC(C7)C5)CC1\",\n \"1,3-Dicyclohexylimidazolium Tetrafluoroborate\": \"F[B-](F)(F)F.[N+]1(C2CCCCC2)=CN(C3CCCCC3)C=C1\",\n \"Sodium Tetrafluoroborate\": \"F[B-](F)(F)F.[Na+]\",\n \"Bis(1,5-cyclooctadiene)rhodium(I) Tetrafluoroborate\": \"F[B-](F)(F)F.[Rh+].C1=C\\\\CC/C=C\\\\CC/1.C2=C\\\\CC/C=C\\\\CC/2\",\n \"Copper(II) Tetrafluoroborate\": \"F[B-](F)(F)F.F[B-](F)(F)F.[Cu+2]\",\n \"(1,5-Cyclooctadiene)(pyridine)(tricyclohexylphosphine)iridium(I) Hexafluorophosphate\": \"F[P-](F)(F)(F)(F)F.P(C1CCCCC1)(C2CCCCC2)C3CCCCC3.[Ir+].C4=C\\\\CC/C=C\\\\CC/4.C5=NC=CC=C5\",\n \"Boron Trifluoride - Propanol Reagent\": \"FB(F)F.CCCO\",\n \"Boron Trifluoride - Methanol Reagent\": \"FB(F)F.CO\",\n \"6,7-Dihydro-2-pentafluorophenyl-5H-pyrrolo[2,1-c][1,2,4]triazolium Tetrafluoroborate\": \"FC1=C(F)C(F)=C(F)C(F)=C1[N+]2=CN3C(CCC3)=N2.F[B-](F)(F)F\",\n \"Bis(benzonitrile)palladium(II) Dichloride\": \"N#CC1=CC=CC=C1.N#CC2=CC=CC=C2.[Pd+2].[Cl-].[Cl-]\",\n \"Chloro[(tri-tert-butylphosphine)-2-(2-aminobiphenyl)]palladium(II)\": \"NC1([Pd+2])=CC=CC=C1C2=CC=CC=C2.CC(P(C(C)(C)C)(Cl)C(C)(C)C)(C)C\",\n \"Aluminum Glycinate\": \"NCC([O-])=O.NCC([O-])=O.NCC([O-])=O.[Al+3]\",\n \"Bis(1,3-propanediamine) Copper(II) Dichloride\": \"NCCCN.NCCCN.[Cu+2].[Cl-].[Cl-]\",\n \"Calcium L-Threonate\": \"O[C@H]([C@H](CO)O)C([O-])=O.O[C@H]([C@H](CO)O)C([O-])=O.[Ca+2]\",\n \"Cacodylic Acid\": \"O=[As](C)(C)O\",\n \"4-(4-Dimethylaminophenylazo)phenylarsonic Acid Hydrochloride\": \"O=[As](C1=CC=C(/N=N/C2=CC=C(N(C)C)C=C2)C=C1)(O)O.[H]Cl\",\n \"4-Hydroxy-3-nitrophenylarsonic Acid\": \"O=[As](C1=CC=C(O)C([N+]([O-])=O)=C1)(O)O\",\n \"4-Hydroxyphenylarsonic Acid\": \"O=[As](C1=CC=C(O)C=C1)(O)O\",\n \"Phenylarsonic Acid\": \"O=[As](C1=CC=CC=C1)(O)O\",\n \"2-Nitrophenylarsonic Acid\": \"O=[As](C1=CC=CC=C1[N+]([O-])=O)(O)O\",\n \"Phenylarsine Oxide\": \"O=[As]C1=CC=CC=C1\",\n \"Triphenylantimony Oxide\": \"O=[Sb](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3\",\n \"Bis(4-methoxyphenyl) Selenoxide\": \"O=[Se](C1=CC=C(OC)C=C1)C2=CC=C(OC)C=C2\",\n \"Sodium Tellurite Pentahydrate\": \"O=[Te]([O-])[O-].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[Na+].[Na+]\",\n \"Telluric Acid\": \"O=[Te](O)(O)=O\",\n \"Bis(dibenzylideneacetone)palladium(0)\": \"O=C(/C=C/C1=CC=CC=C1)/C=C/C2=CC=CC=C2.O=C(/C=C/C3=CC=CC=C3)/C=C/C4=CC=CC=C4.[Pd]\",\n \"Tris(dibenzylideneacetone)dipalladium(0)\": \"O=C(/C=C/C1=CC=CC=C1)/C=C/C2=CC=CC=C2.O=C(/C=C/C3=CC=CC=C3)/C=C/C4=CC=CC=C4.O=C(/C=C/C5=CC=CC=C5)/C=C/C6=CC=CC=C6.[Pd].[Pd]\",\n \"Thallium(III) Trifluoroacetate\": \"O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.[Tl+3]\",\n \"Copper(I) 2-Thiophenecarboxylate\": \"O=C(C1=CC=CS1)[O-].[Cu+]\",\n \"Copper(I) Trifluoromethanesulfonate\": \"O=S(C(F)(F)F)([O-])=O.[Cu+]\",\n \"Copper(II) Trifluoromethanesulfonate\": \"O=S(C(F)(F)F)([O-])=O.O=S(C(F)(F)F)([O-])=O.[Cu+2]\",\n \"Tin(II) Trifluoromethanesulfonate\": \"O=S(C(F)(F)F)([O-])=O.O=S(C(F)(F)F)([O-])=O.[Sn+2]\",\n \"Zinc(II) Trifluoromethanesulfonate\": \"O=S(C(F)(F)F)([O-])=O.O=S(C(F)(F)F)([O-])=O.[Zn+2]\",\n \"Nickel(II) Benzenesulfonate Hexahydrate\": \"O=S(C1=CC=CC=C1)([O-])=O.O=S(C2=CC=CC=C2)([O-])=O.[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[Ni+2]\",\n \"1,2-Bis(phenylsulfinyl)ethane Palladium(II) Diacetate\": \"O=S(CCS(C1=CC=CC=C1)=O)C2=CC=CC=C2.CC([O-])=O.CC([O-])=O.[Pd+2]\",\n \"Bismuth Tripotassium Dicitrate\": \"OC(C([O-])=O)(CC([O-])=O)CC([O-])=O.OC(C([O-])=O)(CC([O-])=O)CC([O-])=O.[Bi+5].[K+].[K+].[K+]\",\n \"Trimagnesium Dicitrate Nonahydrate\": \"OC(C([O-])=O)(CC([O-])=O)CC([O-])=O.OC(C([O-])=O)(CC([O-])=O)CC([O-])=O.[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[Mg+2].[Mg+2].[Mg+2]\",\n \"(Triphenylphosphine)gold(I) Chloride\": \"P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[Au+].[Cl-]\",\n \"Bis(triphenylphosphine)palladium(II) Dichloride\": \"P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.P(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Pd+2].[Cl-].[Cl-]\",\n \"Tris(triphenylphosphine)rhodium(I) Chloride\": \"P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.P(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.P(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9.[Rh+].[Cl-]\",\n \"Tetrakis(triphenylphosphine)palladium(0)\": \"P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.P(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.P(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9.P(C%10=CC=CC=C%10)(C%11=CC=CC=C%11)C%12=CC=CC=C%12.[Pd]\",\n \"Bis(tricyclohexylphosphine)palladium(II) Dichloride\": \"P(C1CCCCC1)(C2CCCCC2)C3CCCCC3.P(C4CCCCC4)(C5CCCCC5)C6CCCCC6.[Pd+2].[Cl-].[Cl-]\",\n \"[1,2-Bis(diphenylphosphino)ethane]palladium(II) Dichloride\": \"P(CCP(C1=CC=CC=C1)C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Pd+2].[Cl-].[Cl-]\",\n \"Bis[1,2-bis(diphenylphosphino)ethane]palladium(0)\": \"P(CCP(C1=CC=CC=C1)C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.P(CCP(C5=CC=CC=C5)C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8.[Pd]\",\n \"1-(2-Mesitylene)-1,3-butanedione\": \"CC(CC(C1=C(C)C=C(C)C=C1C)=O)=O\",\n \"1-(4-Bromophenyl)-1,3-butanedione\": \"CC(CC(C1=CC=C(Br)C=C1)=O)=O\",\n \"1-(4-Chlorophenyl)-4,4,4-trifluoro-1,3-butanedione\": \"O=C(C1=CC=C(Cl)C=C1)CC(C(F)(F)F)=O\",\n \"1-(4-Fluorophenyl)-1,3-butanedione\": \"CC(CC(C1=CC=C(F)C=C1)=O)=O\",\n \"1-(4-tert-Butylphenyl)-3-(4-methoxyphenyl)-1,3-propanedione\": \"O=C(C1=CC=C(C(C)(C)C)C=C1)CC(C2=CC=C(OC)C=C2)=O\",\n \"1,1,5,5-Tetrafluoro-2,4-pentanedione\": \"O=C(CC(C(F)F)=O)C(F)F\",\n \"1,3-Bis(4-methoxyphenyl)-1,3-propanedione\": \"O=C(C1=CC=C(OC)C=C1)CC(C2=CC=C(OC)C=C2)=O\",\n \"1,3-Di(2-pyridyl)-1,3-propanedione\": \"O=C(C1=NC=CC=C1)CC(C2=NC=CC=C2)=O\",\n \"1,3-Diphenyl-1,3-propanedione\": \"O=C(C1=CC=CC=C1)CC(C2=CC=CC=C2)=O\",\n \"1-Phenyl-1,3-butanedione\": \"CC(CC(C1=CC=CC=C1)=O)=O\",\n \"2,2-Dimethyl-6,6,7,7,8,8,8-heptafluoro-3,5-octanedione\": \"CC(C)(C)C(CC(C(F)(F)C(F)(F)C(F)(F)F)=O)=O\",\n \"2,6-Dimethyl-3,5-heptanedione\": \"CC(C)C(CC(C(C)C)=O)=O\",\n \"2-Acetylcyclohexanone\": \"O=C1C(C(C)=O)CCCC1\",\n \"2-Acetylcyclopentanone\": \"O=C1C(C(C)=O)CCC1\",\n \"2-Furoyltrifluoroacetone\": \"O=C(CC(C1=CC=CO1)=O)C(F)(F)F\",\n \"3,4-Diacetyl-2,5-hexanedione\": \"CC(C(C(C)=O)C(C(C)=O)C(C)=O)=O\",\n \"3,5-Heptanedione\": \"CCC(CC(CC)=O)=O\",\n \"3-Chloroacetylacetone\": \"CC(C(Cl)C(C)=O)=O\",\n \"3-Ethyl-2,4-pentanedione\": \"CC(C(CC)C(C)=O)=O\",\n \"3-Methyl-2,4-pentanedione\": \"CC(C(C)C(C)=O)=O\",\n \"3-Phenyl-2,4-pentanedione\": \"CC(C(C1=CC=CC=C1)C(C)=O)=O\",\n \"4,4,4-Trifluoro-1-(2-naphthyl)-1,3-butanedione\": \"O=C(C1=CC=C2C=CC=CC2=C1)CC(C(F)(F)F)=O\",\n \"4,4,4-Trifluoro-1-(2-thienyl)-1,3-butanedione\": \"O=C(C1=CC=CS1)CC(C(F)(F)F)=O\",\n \"4,4,4-Trifluoro-1-(4-methoxyphenyl)-1,3-butanedione\": \"O=C(C1=CC=C(OC)C=C1)CC(C(F)(F)F)=O\",\n \"4,4,4-Trifluoro-1-(p-tolyl)-1,3-butanedione\": \"O=C(C1=CC=C(C)C=C1)CC(C(F)(F)F)=O\",\n \"4,4,4-Trifluoro-1-phenyl-1,3-butanedione\": \"O=C(C1=CC=CC=C1)CC(C(F)(F)F)=O\",\n \"6-Methyl-2,4-heptanedione\": \"CC(CC(CC(C)C)=O)=O\",\n \"9H,9H-Triacontafluoro-8,10-heptadecanedione\": \"O=C(CC(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F\",\n \"Acetylacetone\": \"CC(CC(C)=O)=O\",\n \"Dehydroacetic Acid\": \"CC(C(C(C=C(O1)C)=O)C1=O)=O\",\n \"Dipivaloylmethane\": \"CC(C)(C)C(CC(C(C)(C)C)=O)=O\",\n \"Hexafluoroacetylacetone\": \"O=C(C(F)(F)C(CF)=O)C(F)(F)F\",\n \"Trifluoroacetylacetone\": \"O=C(CC(C)=O)C(F)(F)F\",\n \"1,2,3,4,5-Pentamethylcyclopentadiene\": \"CC1C(C)=C(C)C(C)=C1C\",\n \"1,2,3,4,5-Pentaphenyl-1,3-cyclopentadiene\": \"C1(C2=CC=CC=C2)=C(C3=CC=CC=C3)C(C4=CC=CC=C4)=C(C5=CC=CC=C5)C1C6=CC=CC=C6\",\n \"1,2,3,4-Tetraphenyl-1,3-cyclopentadiene\": \"C1(C2=CC=CC=C2)=C(C3=CC=CC=C3)C(C4=CC=CC=C4)=C(C5=CC=CC=C5)C1\",\n \"1,2-Bis(3-indenyl)ethane\": \"C1(CCC2=CCC3=C2C=CC=C3)=CCC4=C1C=CC=C4\",\n \"1,3,5,7-Cyclooctatetraene\": \"C1=C\\\\C=C/C=C\\\\C=C/1\",\n \"1,3,5-Cycloheptatriene\": \"C1=CC=CC=CC1\",\n \"1,3,5-Trimethylbenzene\": \"CC1=CC(C)=CC(C)=C1\",\n \"1,4-Cyclohexadiene \": \"C1=CCC=CC1\",\n \"1,5-Cyclooctadiene [stabilized with Octadecyl 3-(3',5'-Di-tert-butyl-4'-hydroxyphenyl)propionate]\": \"C1=C\\\\CC/C=C\\\\CC/1\",\n \"1,5-Hexadiene\": \"C=CCCC=C\",\n \"1H-Cyclopenta[l]phenanthrene\": \"C12=CC=CC=C1C(CC=C3)=C3C4=C2C=CC=C4\",\n \"2,5-Norbornadiene\": \"C12C=CC(C2)C=C1\",\n \"2-Methylbenzo[e]indene\": \"N/A\",\n \"2-Methylcyclopenta[l]phenanthrene\": \"CC1=CC2=C3CC=CC=C3C4=C(C2=C1)C=CC=C4\",\n \"2-Norbornene\": \"C12C=CC(C2)CC1\",\n \"Acenaphthylene\": \"C12=CC=CC3=C1C(C=C2)=CC=C3\",\n \"Cyclooctene\": \"C1=C\\\\CCCCCC/1\",\n \"Dibenzo[a,e]cyclooctene\": \"C12=CC=CC=C1/C=C\\\\C3=CC=CC=C3/C=C\\\\2\",\n \"Dicyclopentadiene\": \"C12C=CCC1C3C=CC2C3\",\n \"Hexamethylbenzene\": \"CC1=C(C)C(C)=C(C)C(C)=C1C\",\n \"Indan\": \"C12=C(CCC2)C=CC=C1\",\n \"Indene\": \"C12=C(CC=C2)C=CC=C1\",\n \"p-Cymene\": \"CC1=CC=C(C(C)C)C=C1\",\n \"Tetraphenylcyclopentadienone\": \"O=C1C(C2=CC=CC=C2)=C(C3=CC=CC=C3)C(C4=CC=CC=C4)=C1C5=CC=CC=C5\",\n \"trans,trans-1,5-Bis(4-fluorophenyl)-1,4-pentadien-3-one\": \"O=C(/C=C/C1=CC=C(F)C=C1)/C=C/C2=CC=C(F)C=C2\",\n \"trans,trans-1,5-Bis(4-methoxyphenyl)-1,4-pentadien-3-one\": \"O=C(/C=C/C1=CC=C(OC)C=C1)/C=C/C2=CC=C(OC)C=C2\",\n \"trans,trans-1,5-Bis[4-(trifluoromethyl)phenyl]-1,4-pentadien-3-one\": \"O=C(/C=C/C1=CC=C(C(F)(F)F)C=C1)/C=C/C2=CC=C(C(F)(F)F)C=C2\",\n \"trans,trans-1,5-Diphenyl-1,4-pentadien-3-one\": \"O=C(/C=C/C1=CC=CC=C1)/C=C/C2=CC=CC=C2\",\n \"Silver\": \"[Ag]\",\n \"Gold\": \"[Au]\",\n \"Tricarbonyl(cyclooctatetraene)iron\": \"[C]=O.[C]=O.[C]=O.[Fe].C1=C\\\\C=C/C=C\\\\C=C/1\",\n \"Cerium\": \"[Ce]\",\n \"Cobalt\": \"[Co]\",\n \"Chromium\": \"[Cr]\",\n \"Copper\": \"[Cu]\",\n \"(R,R'')-2,2''-Bis(diphenylphosphino)-1,1''-biferrocene\": \"[Del][Fe][Del].[Del][Fe][Del].P(C1=CC=CC=C1)(c2cccc2c3cccc3P(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6.c7cccc7.c8cccc8\",\n \"1,1'-Bis(diphenylphosphino)ferrocene\": \"[Del][Fe][Del].c1(P(C2=CC=CC=C2)C3=CC=CC=C3)cccc1.c4(P(C5=CC=CC=C5)C6=CC=CC=C6)cccc4\",\n \"[1,1'-Bis(diphenylphosphino)ferrocene]cobalt(II) Dichloride\": \"[Del][Fe][Del].C1(P(c2cccc2)C3=CC=CC=C3)=CC=CC=C1.C4(P(c5cccc5)C6=CC=CC=C6)=CC=CC=C4.[Co+2].[Cl-].[Cl-]\",\n \"[1,1'-Bis(diphenylphosphino)ferrocene]nickel(II) Dichloride\": \"[Del][Fe][Del].P(C1=CC=CC=C1)(c2cccc2)C3=CC=CC=C3.P(C4=CC=CC=C4)(c5cccc5)C6=CC=CC=C6.[Ni+2].[Cl-].[Cl-]\",\n \"Europium\": \"[Eu]\",\n \"Iron\": \"[Fe]\",\n \"Tris(2,2'-bipyridyl)ruthenium(II) Chloride Hexahydrate\": \"[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].C1(C2=NC=CC=C2)=NC=CC=C1.C3(C4=NC=CC=C4)=NC=CC=C3.C5(C6=NC=CC=C6)=NC=CC=C5.[Ru+2].[Cl-].[Cl-]\",\n \"Manganese(II) Chloride Tetrahydrate\": \"[H]O[H].[H]O[H].[H]O[H].[H]O[H].[Mn+2].[Cl-].[Cl-]\",\n \"Hafnium\": \"[Hf]\",\n \"Iridium\": \"[Ir]\",\n \"Lanthanum\": \"[La]\",\n \"Manganese\": \"[Mn]\",\n \"Molybdenum\": \"[Mo]\",\n \"Neodymium\": \"[Nd]\",\n \"Nickel\": \"[Ni]\",\n \"Bis(1,5-cyclooctadiene)nickel(0)\": \"[Ni].C1=C\\\\CC/C=C\\\\CC/1.C2=C\\\\CC/C=C\\\\CC/2\",\n \"(1R,2R)-N,N'-Bis[3-oxo-2-(2,4,6-trimethylbenzoyl)butylidene]-1,2-diphenylethylenediaminato Cobalt(II)\": \"[O-]/C(C)=C(C(C1=C(C)C=C(C)C=C1C)=O)\\\\C=N\\\\[C@@H]([C@@H](C2=CC=CC=C2)/N=C/C(C(C3=C(C)C=C(C)C=C3C)=O)=C(C)\\\\[O-])C4=CC=CC=C4.[Co+2]\",\n \"(1S,2S)-N,N'-Bis[3-oxo-2-(2,4,6-trimethylbenzoyl)butylidene]-1,2-diphenylethylenediaminato Cobalt(II)\": \"[O-]/C(C)=C(C(C1=C(C)C=C(C)C=C1C)=O)\\\\C=N\\\\[C@H]([C@H](C2=CC=CC=C2)/N=C/C(C(C3=C(C)C=C(C)C=C3C)=O)=C(C)\\\\[O-])C4=CC=CC=C4.[Co+2]\",\n \"Tris(2,4-pentanedionato)iron(III)\": \"[O-]/C(C)=C\\\\C(C)=O.[O-]/C(C)=C\\\\C(C)=O.[O-]/C(C)=C\\\\C(C)=O.[Fe+3]\",\n \"Tetrakis(2,4-pentanedionato)titanium(IV) (ca. 63% in Isopropyl Alcohol)\": \"[O-]/C(C)=C\\\\C(C)=O.[O-]/C(C)=C\\\\C(C)=O.[O-]CCC.[O-]CCC.[Ti+4]\",\n \"Tris(dibenzoylmethanato) Iron\": \"[O-]/C(C1=CC=CC=C1)=C\\\\C(C2=CC=CC=C2)=O.[O-]/C(C3=CC=CC=C3)=C\\\\C(C4=CC=CC=C4)=O.[O-]/C(C5=CC=CC=C5)=C\\\\C(C6=CC=CC=C6)=O.[Fe+3]\",\n \"Salcomine [=N,N'-Bis(salicylidene)ethylenediiminocobalt(II)]\": \"[O-]C(C=CC=C1)=C1/C=N/CC/N=C/C2=CC=CC=C2[O-].[Co+2]\",\n \"Chloronitrosyl[N,N'-bis(3,5-di-tert-butylsalicylidene)-1,1,2,2-tetramethylethylenediaminato]ruthenium(IV)\": \"[O-]C1=C(/C=N/C(C)(C)C(C)(C)/N=C/C2=C([O-])C(C(C)(C)C)=CC(C(C)(C)C)=C2)C=C(C(C)(C)C)C=C1C(C)(C)C.[N-]=O.[Ru+4].[Cl-]\",\n \"Tetrabutyl Orthotitanate Tetramer\": \"[O-]CCCC.[O-]CCCC.[O-]CCCC.[O-]CCCC.[O-]CCCC.[O-]CCCC.[O-]CCCC.[O-]CCCC.[O-]CCCC.[O-]CCCC.[Ti+4].[Ti+4].[O-2].[O-2].[Ti+4].[O-2].[Ti+4]\",\n \"4-[2-[2-(4-Iodophenoxy)ethoxy]carbonyl]benzoyloxy-2,2,6,6-tetramethylpiperidin-1-oxyl\": \"[O]N1C(C)(C)CC(OC(C2=CC=CC=C2C(OCCOC3=CC=C(I)C=C3)=O)=O)CC1(C)C\",\n \"Osmium\": \"[Os]\",\n \"Osmium Tetroxide (4% in Water)\": \"[Os+8].[O-2].[O-2].[O-2].[O-2]\",\n \"Platinum\": \"[Pt]\",\n \"Rhenium\": \"[Re]\",\n \"Rhodium\": \"[Rh]\",\n \"Ruthenium\": \"[Ru]\",\n \"Scandium\": \"[Sc]\",\n \"Samarium\": \"[Sm]\",\n \"Terbium\": \"[Tb]\",\n \"Titanium\": \"[Ti]\",\n \"(Pentamethylcyclopentadienyl)titanium(IV) Trichloride\": \"[Ti+3]C1=C(C)C(C)=C(C)C1(C)C.[Cl-].[Cl-].[Cl-]\",\n \"Cyclopentadienyltitanium(IV) Trichloride\": \"[Ti+3]C1=CC=CC1.[Cl-].[Cl-].[Cl-]\",\n \"(Indenyl)titanium(IV) Trichloride\": \"[Ti+3]C1C=CC2=C1C=CC=C2.[Cl-].[Cl-].[Cl-]\",\n \"Titanium(IV) Chloride\": \"[Ti+4].[Cl-].[Cl-].[Cl-].[Cl-]\",\n \"Thulium\": \"[Tm]\",\n \"Vanadium\": \"[V]\",\n \"Tungsten\": \"[W]\",\n \"Yttrium\": \"[Y]\",\n \"Ytterbium\": \"[Yb]\",\n \"Zirconium\": \"[Zr]\",\n \"(2-Bromophenyl)diphenylphosphine\": \"BrC1=CC=CC=C1P(C2=CC=CC=C2)C3=CC=CC=C3\",\n \"4,6-Bis(diphenylphosphino)phenoxazine\": \"C(C=CC=C1N2)(P(C3=CC=CC=C3)C4=CC=CC=C4)=C1OC5=C2C=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7\",\n \"Bis(trifluoro-2,4-pentanedionato)cobalt(II) Hydrate\": \"C/C([O-])=C/C(C(F)(F)F)=O.C/C([O-])=C/C(C(F)(F)F)=O.[Co+2]\",\n \"Bis(2,4-pentanedionato)cobalt(II)\": \"C/C([O-])=C/C(C)=O.C/C([O-])=C/C(C)=O.[Co+2].O\",\n \"Bis(2,4-pentanedionato)cobalt(II) Dihydrate\": \"C/C([O-])=C/C(C)=O.C/C([O-])=C/C(C)=O.[Co+2].O.O\",\n \"(R)-N,N-Dimethyl-1-[(S)-1',2-bis(diphenylphosphino)ferrocenyl]ethylamine\": \"C[C@@H](N(C)C)c1c(P(C2=CC=CC=C2)C3=CC=CC=C3)ccc1.[Del][Fe][Del].c4(P(C5=CC=CC=C5)C6=CC=CC=C6)cccc4\",\n \"(2S,3S)-(-)-Bis(diphenylphosphino)butane\": \"C[C@H](P(C1=CC=CC=C1)C2=CC=CC=C2)[C@@H](P(C3=CC=CC=C3)C4=CC=CC=C4)C\",\n \"1-Methyl-1-[4-(diphenylphosphino)benzyl]pyrrolidinium Bromide\": \"C[N+]1(CC2=CC=C(P(C3=CC=CC=C3)C4=CC=CC=C4)C=C2)CCCC1.[Br-]\",\n \"9-Mesityl-2,7,10-trimethylacridinium Perchlorate\": \"C[N+]1=C2C=CC(C)=CC2=C(C3=C(C)C=C(C)C=C3C)C4=C1C=CC(C)=C4.O=Cl(=O)([O-])=O\",\n \"9-Mesityl-10-methylacridinium Perchlorate\": \"C[N+]1=C2C=CC=CC2=C(C3=C(C)C=C(C)C=C3C)C4=C1C=CC=C4.O=Cl(=O)([O-])=O\",\n \"9-(2,6-Dimethylphenyl)-10-methylacridinium Perchlorate\": \"C[N+]1=C2C=CC=CC2=C(C3=C(C)C=CC=C3C)C4=C1C=CC=C4.O=Cl(=O)([O-])=O\",\n \"9-(2,5-Dimethylphenyl)-10-methylacridinium Perchlorate\": \"C[N+]1=C2C=CC=CC2=C(C3=CC(C)=CC=C3C)C4=C1C=CC=C4.O=Cl(=O)([O-])=O\",\n \"10-Methyl-9-phenylacridinium Perchlorate\": \"C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C3)C4=C1C=CC=C4.O=Cl(=O)([O-])=O\",\n \"9-(2-Biphenylyl)-10-methylacridinium Perchlorate\": \"C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C3C4=CC=CC=C4)C5=C1C=CC=C5.O=Cl(=O)([O-])=O\",\n \"10-Methylacridinium Perchlorate\": \"C[N+]1=C2C=CC=CC2=CC3=C1C=CC=C3.O=Cl(=O)([O-])=O\",\n \"(R,R)-(-)-2,3-Bis(tert-butylmethylphosphino)quinoxaline\": \"C[P@@](C1=NC2=CC=CC=C2N=C1[P@@](C(C)(C)C)C)C(C)(C)C\",\n \"(S,S)-1,2-Bis[(tert-butyl)methylphosphino]ethane Bis(borane)\": \"C[P@@](CC[P@@](C(C)(C)C)C)C(C)(C)C.B.B\",\n \"(S,S)-(+)-2,3-Bis(tert-butylmethylphosphino)quinoxaline\": \"C[P@](C1=NC2=CC=CC=C2N=C1[P@](C(C)(C)C)C)C(C)(C)C\",\n \"Lithium Diphenylphosphide (ca. 0.5mol/L in Tetrahydrofuran)\": \"C1([P-]C2=CC=CC=C2)=CC=CC=C1.[Li+]\",\n \"(2R,3R)-(-)-2,3-Bis(diphenylphosphino)bicyclo[2.2.1]hept-5-ene\": \"C1(C2)[C@@H](P(C3=CC=CC=C3)C4=CC=CC=C4)[C@H](P(C5=CC=CC=C5)C6=CC=CC=C6)C2C=C1\",\n \"(2S,3S)-(+)-2,3-Bis(diphenylphosphino)bicyclo[2.2.1]hept-5-ene\": \"C1(C2)[C@H](P(C3=CC=CC=C3)C4=CC=CC=C4)[C@@H](P(C5=CC=CC=C5)C6=CC=CC=C6)C2C=C1\",\n \"2-(Diphenylphosphino)biphenyl\": \"C1(C2=CC=CC=C2)=CC=CC=C1P(C3=CC=CC=C3)C4=CC=CC=C4\",\n \"2-(Dicyclohexylphosphino)biphenyl\": \"C1(C2=CC=CC=C2)=CC=CC=C1P(C3CCCCC3)C4CCCCC4\",\n \"2,2'-Bis(diphenylphosphino)biphenyl\": \"C1(C2=CC=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4)=CC=CC=C1P(C5=CC=CC=C5)C6=CC=CC=C6\",\n \"Bis[2-(diphenylphosphino)phenyl] Ether\": \"C1(OC2=CC=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4)=CC=CC=C1P(C5=CC=CC=C5)C6=CC=CC=C6\",\n \"1,8-Bis(diphenylphosphino)naphthalene\": \"C1(P(C2=CC=CC=C2)C3=CC=CC=C3)=C4C(P(C5=CC=CC=C5)C6=CC=CC=C6)=CC=CC4=CC=C1\",\n \"1,2-Bis(diphenylphosphino)benzene\": \"C1(P(C2=CC=CC=C2)C3=CC=CC=C3)=CC=CC=C1P(C4=CC=CC=C4)C5=CC=CC=C5\",\n \"Perylene\": \"C12=CC=CC(C3=CC=CC4=C3C5=CC=C4)=C1C5=CC=C2\",\n \"Di-1-adamantylphosphine\": \"C12CC3(PC45CC6CC(C5)CC(C6)C4)CC(C2)CC(C3)C1\",\n \"Bis(2,4-pentanedionato)vanadium(IV) Oxide\": \"CC(/C=C([O-])/C)=O.[O-]/C(C)=C\\\\C(C)=O.[V+4].[O-2]\",\n \"Bis(2,4-pentanedionato)molybdenum(VI) Dioxide\": \"CC(/C=C([O-])/C)=O.C/C([O-])=C/C(C)=O.[Mo+6].[O-2].[O-2]\",\n \"Bis(2,4-pentanedionato)manganese(II) Dihydrate\": \"CC(/C=C([O-])/C)=O.CC(/C=C([O-])/C)=O.[Mn+2].O.O\",\n \"Tris(2,4-pentanedionato)cobalt(III)\": \"CC(/C=C(C)\\\\[O-])=O.[O-]/C(C)=C\\\\C(C)=O.[O-]/C(C)=C\\\\C(C)=O.[Co+3]\",\n \"Tris(2,4-pentanedionato)manganese(III)\": \"CC(/C=C(C)\\\\[O-])=O.[O-]/C(C)=C\\\\C(C)=O.[O-]/C(C)=C\\\\C(C)=O.[Mn+3]\",\n \"Palladium(II) Acetate\": \"CC([O-])=O.CC([O-])=O.[Pd+2]\",\n \"(1S,2S)-N,N'-Bis[(R)-2-hydroxy-2'-phenyl-1,1'-binaphthyl-3-ylmethylene]-1,2-diphenylethylenediaminato Manganese(III) Acetate\": \"CC([O-])=O.OC1=C(C([Mn+]2)=N[C@@H](C3=CC=CC=C3)[C@H](C4=CC=CC=C4)N=C2C5=C(O)C(C6=C7C=CC=CC7=CC=C6C8=CC=CC=C8)=C9C=CC=CC9=C5)C=C%10C=CC=CC%10=C1C%11=C%12C=CC=CC%12=CC=C%11C%13=CC=CC=C%13\",\n \"Tri-tert-butylphosphonium Tetrafluoroborate\": \"CC([PH+](C(C)(C)C)C(C)(C)C)(C)C.F[B-](F)(F)F\",\n \"1,2,3,4,5-Pentaphenyl-1'-(di-tert-butylphosphino)ferrocene\": \"CC(C)(C)P(C(C)(C)C)c1cccc1.[Del][Fe][Del].c2(C3=CC=CC=C3)c(C4=CC=CC=C4)c(C5=CC=CC=C5)c(C6=CC=CC=C6)c2C7=CC=CC=C7\",\n \"1,1'-Bis(di-tert-butylphosphino)ferrocene\": \"CC(C)(C)P(c1cccc1)C(C)(C)C.CC(C)(C)P(c2cccc2)C(C)(C)C.[Del][Fe][Del]\",\n \"(S)-1-(Diphenylphosphino)-2-[(S)-4-isopropyloxazolin-2-yl]ferrocene\": \"CC(C)[C@@H]1N=C(c2c(P(C3=CC=CC=C3)C4=CC=CC=C4)ccc2)OC1.[Del][Fe][Del].c5cccc5\",\n \"Tetraisobutyl Orthotitanate\": \"CC(C)CO[Ti](OCC(C)C)(OCC(C)C)OCC(C)C\",\n \"1,1'-Bis(diisopropylphosphino)ferrocene\": \"CC(C)P(c1cccc1)C(C)C.CC(C)P(c2cccc2)C(C)C.[Del][Fe][Del]\",\n \"2-Di-tert-butylphosphino-2',4',6'-triisopropylbiphenyl\": \"CC(C1=C(C2=CC=CC=C2P(C(C)(C)C)C(C)(C)C)C(C(C)C)=CC(C(C)C)=C1)C\",\n \"2-Dicyclohexylphosphino-2',4',6'-triisopropylbiphenyl\": \"CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C\",\n \"[1,3-Bis(2,6-diisopropylphenyl)imidazol-2-ylidene]triphenylphosphine Nickel(II) Dichloride\": \"CC(C1=C(N(C=CN2C3=C(C(C)C)C=CC=C3C(C)C)C2=P(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C(C(C)C)=CC=C1)C.[Ni+2].[Cl-].[Cl-]\",\n \"1,3-Bis(2,6-diisopropylphenyl)-1,3,2-diazaphospholidine 2-Oxide\": \"CC(C1=C(N2P(N(C3=C(C(C)C)C=CC=C3C(C)C)CC2)=O)C(C(C)C)=CC=C1)C\",\n \"Dicyclohexyl(2,4,6-triisopropylphenyl)phosphine\": \"CC(C1=C(P(C2CCCCC2)C3CCCCC3)C(C(C)C)=CC(C(C)C)=C1)C\",\n \"Tris(2,4-di-tert-butylphenyl) Phosphite\": \"CC(C1=CC=C(OP(OC2=CC=C(C(C)(C)C)C=C2C(C)(C)C)OC3=CC=C(C(C)(C)C)C=C3C(C)(C)C)C(C(C)(C)C)=C1)(C)C\",\n \"3-Methyl-1-phenyl-2-phospholene 1-Oxide\": \"CC(CC1)=CP1(C2=CC=CC=C2)=O\",\n \"Tetraisopropyl Orthotitanate\": \"CC(O[Ti](OC(C)C)(OC(C)C)OC(C)C)C\",\n \"2-Dicyclohexylphosphino-2',6'-diisopropoxybiphenyl\": \"CC(OC1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(OC(C)C)=CC=C1)C\",\n \"Di-tert-butylphenylphosphine\": \"CC(P(C(C)(C)C)C1=CC=CC=C1)(C)C\",\n \"(4-Dimethylaminophenyl)di-tert-butylphosphine\": \"CC(P(C1=CC=C(N(C)C)C=C1)C(C)(C)C)(C)C\",\n \"Isopropyldiphenylphosphine\": \"CC(P(C1=CC=CC=C1)C2=CC=CC=C2)C\",\n \"2-(Di-tert-butylphosphino)biphenyl\": \"CC(P(C1=CC=CC=C1C2=CC=CC=C2)C(C)(C)C)(C)C\",\n \"1-[2-(Di-tert-butylphosphino)phenyl]-3,5-diphenyl-1H-pyrazole\": \"CC(P(C1=CC=CC=C1N2N=C(C3=CC=CC=C3)C=C2C4=CC=CC=C4)C(C)(C)C)(C)C\",\n \"Chlorodiisopropylphosphine\": \"CC(P(Cl)C(C)C)C\",\n \"1,3-Bis[(di-tert-butylphosphino)oxy]benzene\": \"CC(P(OC1=CC(OP(C(C)(C)C)C(C)(C)C)=CC=C1)C(C)(C)C)(C)C\",\n \"4,4,5,5-Tetramethyl-1,3,2-dioxaphospholane 2-Oxide\": \"CC1(C)C(C)(C)OP(O1)=O\",\n \"4,5-Bis(diphenylphosphino)-9,9-dimethylxanthene\": \"CC1(C)C2=C(OC3=C1C=CC=C3P(C4=CC=CC=C4)C5=CC=CC=C5)C(P(C6=CC=CC=C6)C7=CC=CC=C7)=CC=C2\",\n \"4-Acetamido-2,2,6,6-tetramethylpiperidine 1-Oxyl\": \"CC1(C)CC(NC(C)=O)CC(C)(C)N1[O]\",\n \"4-Hydroxy-2,2,6,6-tetramethylpiperidine 1-Oxyl Benzoate\": \"CC1(C)CC(OC(C2=CC=CC=C2)=O)CC(C)(C)N1[O]\",\n \"4-Methoxy-2,2,6,6-tetramethylpiperidine 1-Oxyl \": \"CC1(C)CC(OC)CC(C)(C)N1[O]\",\n \"2,2,6,6-Tetramethylpiperidine 1-Oxyl Free Radical\": \"CC1(C)CCCC(C)(C)N1[O]\",\n \"(2S,3S)-(+)-1,4-Bis(diphenylphosphino)-2,3-O-isopropylidene-2,3-butanediol\": \"CC1(O[C@@H]([C@H](O1)CP(C2=CC=CC=C2)C3=CC=CC=C3)CP(C4=CC=CC=C4)C5=CC=CC=C5)C\",\n \"(2R,3R)-(-)-1,4-Bis(diphenylphosphino)-2,3-O-isopropylidene-2,3-butanediol\": \"CC1(O[C@H]([C@@H](O1)CP(C2=CC=CC=C2)C3=CC=CC=C3)CP(C4=CC=CC=C4)C5=CC=CC=C5)C\",\n \"(1R,2R)-N,N'-Bis(2-acetyl-3-oxo-2-butenylidene)-1,2-dimesitylethylenediaminato Cobalt(II)\": \"CC1=C(C(C)=CC(C)=C1)[C@@H](/N=C/C=C(C(C)=O)\\\\C[O-])[C@@H](C2=C(C)C=C(C)C=C2C)/N=C/C=C(C(C)=O)\\\\C[O-].[Co+2]\",\n \"(1S,2S)-N,N'-Bis(2-acetyl-3-oxo-2-butenylidene)-1,2-dimesitylethylenediaminato Cobalt(II)\": \"CC1=C(C(C)=CC(C)=C1)[C@H](/N=C/C=C(C(C)=O)\\\\C[O-])[C@H](C2=C(C)C=C(C)C=C2C)/N=C/C=C(C(C)=O)\\\\C[O-].[Co+2]\",\n \"Tri(m-tolyl)phosphine\": \"CC1=CC(P(C2=CC=CC(C)=C2)C3=CC=CC(C)=C3)=CC=C1\",\n \"Tri(p-tolyl)phosphine\": \"CC1=CC=C(P(C2=CC=C(C)C=C2)C3=CC=C(C)C=C3)C=C1\",\n \"Chlorobis[dicyclohexyl(phenyl)phosphino](o-tolyl)nickel(II)\": \"CC1=CC=CC=C1[Ni-2](P(C2CCCCC2)(C3CCCCC3)C4=CC=CC=C4)(Cl)P(C5CCCCC5)(C6CCCCC6)C7=CC=CC=C7\",\n \"Tri(o-tolyl)phosphine\": \"CC1=CC=CC=C1P(C2=CC=CC=C2C)C3=CC=CC=C3C\",\n \"Tetrapropylammonium Perruthenate\": \"CCC[N+](CCC)(CCC)CCC.O=[Ru](=O)([O-])=O\",\n \"Tetrabutylammonium Perrhenate\": \"CCCC[N+](CCCC)(CCCC)CCCC.O=[Re](=O)([O-])=O\",\n \"Tri-n-octylphosphine Oxide\": \"CCCCCCCCP(CCCCCCCC)(CCCCCCCC)=O\",\n \"Tri-n-octylphosphine\": \"CCCCCCCCP(CCCCCCCC)CCCCCCCC\",\n \"Trihexylphosphine\": \"CCCCCCP(CCCCCC)CCCCCC\",\n \"Tetrabutyl Orthotitanate\": \"CCCCO[Ti](OCCCC)(OCCCC)OCCCC\",\n \"Tributylphosphine Oxide\": \"CCCCP(CCCC)(CCCC)=O\",\n \"Diphenylpropylphosphine\": \"CCCP(C1=CC=CC=C1)C2=CC=CC=C2\",\n \"Dichloro(diethylamino)phosphine\": \"CCN(P(Cl)Cl)CC\",\n \"Tris(diethylamino)phosphine\": \"CCN(P(N(CC)CC)N(CC)CC)CC\",\n \"Ethoxydiphenylphosphine\": \"CCOP(C1=CC=CC=C1)C2=CC=CC=C2\",\n \"Ethyldiphenylphosphine\": \"CCP(C1=CC=CC=C1)C2=CC=CC=C2\",\n \"Diethylphenylphosphine\": \"CCP(CC)C1=CC=CC=C1\",\n \"Dichlorotitanium Diisopropoxide\": \"Cl[Ti+2]Cl.CC([O-])C.CC([O-])C\",\n \"Bis[tris(2,4-pentanedionato)titanium(IV)] Hexachlorotitanate(IV)\": \"Cl[Ti-2](Cl)(Cl)(Cl)(Cl)Cl.C/C([O-])=C\\\\C(C)=O.C/C([O-])=C\\\\C(C)=O.C/C([O-])=C\\\\C(C)=O.C/C([O-])=C\\\\C(C)=O.C/C([O-])=C\\\\C(C)=O.C/C([O-])=C\\\\C(C)=O.[Ti+4].[Ti+4]\",\n \"Di-tert-butylchlorophosphine\": \"ClP(C(C)(C)C)C(C)(C)C\",\n \"Chlorodiphenylphosphine\": \"ClP(C1=CC=CC=C1)C2=CC=CC=C2\",\n \"Chlorodicyclohexylphosphine\": \"ClP(C1CCCCC1)C2CCCCC2\",\n \"Dichlorophenylphosphine\": \"ClP(Cl)C1=CC=CC=C1\",\n \"1,1'-Bis(dichlorophosphino)ferrocene\": \"ClP(Cl)c1cccc1.ClP(Cl)c2cccc2.[Del][Fe][Del]\",\n \"2-Chloro-1,3,2-dioxaphospholane\": \"ClP1OCCO1\",\n \"Tetrakis(dimethylamino)titanium(IV)\": \"CN([Ti](N(C)C)(N(C)C)N(C)C)C\",\n \"(S)-N,N-Dimethyl-1-[(R)-2-(diphenylphosphino)ferrocenyl]ethylamine\": \"CN(C)[C@@H](CP(C1=CC=CC=C1)C2=CC=CC=C2)c3cccc3.[Del][Fe][Del].c4cccc4\",\n \"(R)-N,N-Dimethyl-1-[(S)-2-(diphenylphosphino)ferrocenyl]ethylamine\": \"CN(C)[C@H](c1cccc1)CP(C2=CC=CC=C2)C3=CC=CC=C3.[Del][Fe][Del].c4cccc4\",\n \"2-(Dicyclohexylphosphino)-2'-(dimethylamino)biphenyl\": \"CN(C1=CC=CC=C1C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C\",\n \"2-Dicyclohexylphosphino-2',6'-dimethoxybiphenyl\": \"COC1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C1\",\n \"Tris(2,6-dimethoxyphenyl)phosphine\": \"COC1=C(P(C2=C(OC)C=CC=C2OC)C3=C(OC)C=CC=C3OC)C(OC)=CC=C1\",\n \"Tris(4-methoxyphenyl)phosphine\": \"COC1=CC=C(P(C2=CC=C(OC)C=C2)C3=CC=C(OC)C=C3)C=C1\",\n \"(R)-(+)-2-Diphenylphosphino-2'-methoxy-1,1'-binaphthyl\": \"COC1=CC=C2C=CC=CC2=C1C3=C4C=CC=CC4=CC=C3P(C5=CC=CC=C5)C6=CC=CC=C6\",\n \"(S,S)-1,2-Bis[(2-methoxyphenyl)phenylphosphino]ethane\": \"COC1=CC=CC=C1[P@@](CC[P@](C2=CC=CC=C2OC)C3=CC=CC=C3)C4=CC=CC=C4\",\n \"(R,R)-1,2-Bis[(2-methoxyphenyl)phenylphosphino]ethane\": \"COC1=CC=CC=C1[P@](CC[P@@](C2=CC=CC=C2OC)C3=CC=CC=C3)C4=CC=CC=C4\",\n \"Tris(2-methoxyphenyl)phosphine\": \"COC1=CC=CC=C1P(C2=CC=CC=C2OC)C3=CC=CC=C3OC\",\n \"Methoxymethyl(diphenyl)phosphine Oxide\": \"COCP(C1=CC=CC=C1)(C2=CC=CC=C2)=O\",\n \"Methoxydiphenylphosphine\": \"COP(C1=CC=CC=C1)C2=CC=CC=C2\",\n \"Trimethylphosphine\": \"CP(C)C\",\n \"Methyl(diphenyl)phosphine Oxide\": \"CP(C1=CC=CC=C1)(C2=CC=CC=C2)=O\",\n \"Methyldiphenylphosphine\": \"CP(C1=CC=CC=C1)C2=CC=CC=C2\",\n \"1,2-Bis(dimethylphosphino)ethane\": \"CP(CCP(C)C)C\",\n \"Tricyclohexylphosphonium Tetrafluoroborate\": \"F[B-](F)(F)F.[PH+](C1CCCCC1)(C2CCCCC2)C3CCCCC3\",\n \"Tris[3,5-bis(trifluoromethyl)phenyl]phosphine\": \"FC(C1=CC(C(F)(F)F)=CC(P(C2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)C3=CC(C(F)(F)F)=CC(C(F)(F)F)=C3)=C1)(F)F\",\n \"Manganese(II) Bis(trifluoromethanesulfonyl)imide\": \"FC(F)(S(=O)([N-]S(=O)(C(F)(F)F)=O)=O)F.FC(F)(S(=O)([N-]S(=O)(C(F)(F)F)=O)=O)F.[Mn+2]\",\n \"Tris(pentafluorophenyl)phosphine\": \"FC1=C(F)C(F)=C(F)C(F)=C1P(C2=C(F)C(F)=C(F)C(F)=C2F)C3=C(F)C(F)=C(F)C(F)=C3F\",\n \"Bis(pentafluorophenyl)phenylphosphine\": \"FC1=C(F)C(F)=C(F)C(F)=C1P(C2=C(F)C(F)=C(F)C(F)=C2F)C3=CC=CC=C3\",\n \"(Pentafluorophenyl)diphenylphosphine\": \"FC1=C(F)C(F)=C(F)C(F)=C1P(C2=CC=CC=C2)C3=CC=CC=C3\",\n \"1,2-Bis[bis(pentafluorophenyl)phosphino]ethane\": \"FC1=C(F)C(F)=C(F)C(F)=C1P(CCP(C2=C(F)C(F)=C(F)C(F)=C2F)C3=C(F)C(F)=C(F)C(F)=C3F)C4=C(F)C(F)=C(F)C(F)=C4F\",\n \"Tris(4-fluorophenyl)phosphine\": \"FC1=CC=C(P(C2=CC=C(F)C=C2)C3=CC=C(F)C=C3)C=C1\",\n \"2-(Diphenylphosphino)benzonitrile\": \"N#CC1=CC=CC=C1P(C2=CC=CC=C2)C3=CC=CC=C3\",\n \"(3-Phenyl-1H-inden-1-ylidene)bis(tricyclohexylphosphine)ruthenium(II) Dichloride \": \"[Ru+2]=C1C=C(C2=CC=CC=C2)C3=C1C=CC=C3.P(C4CCCCC4)(C5CCCCC5)C6CCCCC6.P(C7CCCCC7)(C8CCCCC8)C9CCCCC9.[Cl-].[Cl-]\",\n \"Bis(2,4-pentanedionato)bis(2-propanolato)titanium(IV)\": \"CC(/C=C(C)\\\\[O-])=O.CC(/C=C(C)\\\\[O-])=O.[O-]C(C)C.[O-]C(C)C.[Ti+4]\",\n \"Cyclopentadienyliron Dicarbonyl Dimer\": \"[C]=O.[C]=O.[Fe]C1=CC=CC1\",\n \"Dicobalt Octacarbonyl (stabilized with 1-5% Hexane)\": \"[CH-]=O.[CH-]=O.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Co].[Co+2]\",\n \"Dimethyltitanocene\": \"C[Ti]C.c1cccc1.c2cccc2\",\n \"Tricyclohexylphosphine\": \"P(C1CCCCC1)(C2CCCCC2)C3CCCCC3\",\n \"Tris(2-phenylpyridinato)iridium(III)\": \"C1(C2=CC=CC=C2)=NC=CC=C1.C3(C4=CC=CC=C4)=NC=CC=C3.C5(C6=CC=CC=C6)=NC=CC=C5.[Ir]\",\n \"3-(Diphenylphosphino)-1-propylamine\": \"NCCCP(C1=CC=CC=C1)C2=CC=CC=C2\",\n \"4-Acetamido-2,2,6,6-tetramethyl-1-oxopiperidinium Tetrafluoroborate\": \"O=[N+]1C(C)(C)CC(NC(C)=O)CC1(C)C.F[B-](F)(F)F\",\n \"Potassium Perrhenate\": \"O=[Re](=O)([O-])=O.[K+]\",\n \"Bis(2,4-pentanedionato)nickel(II) Hydrate\": \"O=C(/C=C([O-])/C)C.O=C(/C=C([O-])/C)C.[Ni+2].O\",\n \"Bis(hexafluoroacetylacetonato)nickel(II) Hydrate\": \"O=C(/C=C(C(F)(F)F)\\\\[O-])C(F)(F)F.[O-]/C(C(F)(F)F)=C\\\\C(C(F)(F)F)=O.[Ni+2]\",\n \"Palladium(II) Trifluoroacetate\": \"O=C([O-])C(F)(F)F.O=C([O-])C(F)(F)F.[Pd+2]\",\n \"Tris(2-carboxyethyl)phosphine Hydrochloride\": \"O=C(CCP(CCC(O)=O)CCC(O)=O)O.[H]Cl\",\n \"4-(Diphenylphosphino)benzoic Acid\": \"O=C(O)C1=CC=C(P(C2=CC=CC=C2)C3=CC=CC=C3)C=C1\",\n \"2-(Diphenylphosphino)benzoic Acid\": \"O=C(O)C1=CC=CC=C1P(C2=CC=CC=C2)C3=CC=CC=C3\",\n \"Tetrabromofluorescein\": \"O=C1OC2(C3=C(OC4=C2C=CC(O)=C4)C=C(O)C=C3)C5=C1C(Br)=C(Br)C(Br)=C5Br\",\n \"2-Chloro-4H-1,3,2-benzodioxaphosphorin-4-one\": \"O=C1OP(Cl)OC2=CC=CC=C12\",\n \"2-(Diphenylphosphino)benzaldehyde\": \"O=CC1=CC=CC=C1P(C2=CC=CC=C2)C3=CC=CC=C3\",\n \"Triphenylphosphine Oxide\": \"O=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3\",\n \"Diphenylphosphinic Chloride\": \"O=P(C1=CC=CC=C1)(C2=CC=CC=C2)Cl\",\n \"Phenylphosphonic Dichloride\": \"O=P(C1=CC=CC=C1)(Cl)Cl\",\n \"Diphenylphosphine Oxide\": \"O=P(C1=CC=CC=C1)C2=CC=CC=C2\",\n \"4-Chlorophenyl Phosphorodichloridate\": \"O=P(Cl)(Cl)OC1=CC=C(Cl)C=C1\",\n \"Diphosphoryl Chloride\": \"O=P(OP(O)(O)=O)(Cl)O\",\n \"(±)-1,1'-Binaphthyl-2,2'-diyl Hydrogenphosphate\": \"O=P1(OC2=CC=C3C=CC=CC3=C2C4=C5C=CC=CC5=CC=C4O1)O\",\n \"Nickel(II) Trifluoromethanesulfonate\": \"O=S(C(F)(F)F)([O-])=O.O=S(C(F)(F)F)([O-])=O.[Ni+2]\",\n \"Sodium Diphenylphosphinobenzene-3-sulfonate\": \"O=S(C1=CC(P(C2=CC=CC=C2)C3=CC=CC=C3)=CC=C1)([O-])=O.[Na+]\",\n \"2-Hydroxy-2-azaadamantane\": \"ON1C2CC3CC(C2)CC1C3\",\n \"Thiophosphoryl Chloride\": \"OP(O)(Cl)=S\",\n \"trans-1,2-Bis(diphenylphosphino)ethylene\": \"P(/C=C/P(C1=CC=CC=C1)C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4\",\n \"Triphenylphosphine\": \"P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3\",\n \"Bis(triphenylphosphine)nickel(II) Dichloride\": \"P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.P(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.[Ni+2].[Cl-].[Cl-]\",\n \"Tris(triphenylphosphine)ruthenium(II) Dichloride\": \"P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.P(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.P(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9.[Ru+2].[Cl-].[Cl-]\",\n \"Diphenyl-2-pyridylphosphine\": \"P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=NC=CC=C3\",\n \"Cyclohexyldiphenylphosphine\": \"P(C1=CC=CC=C1)(C2CCCCC2)C3=CC=CC=C3\",\n \"Tri(2-furyl)phosphine\": \"P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3\",\n \"Tri(2-thienyl)phosphine\": \"P(C1=CC=CS1)(C2=CC=CS2)C3=CC=CS3\",\n \"Dicyclohexylphenylphosphine\": \"P(C1CCCCC1)(C2CCCCC2)C3=CC=CC=C3\",\n \"Bis(tricyclohexylphosphine)nickel(II) Dichloride\": \"P(C1CCCCC1)(C2CCCCC2)C3CCCCC3.P(C4CCCCC4)(C5CCCCC5)C6CCCCC6.[Ni+2].[Cl-].[Cl-]\",\n \"1,6-Bis(diphenylphosphino)hexane\": \"P(CCCCCCP(C1=CC=CC=C1)C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4\",\n \"1,5-Bis(diphenylphosphino)pentane\": \"P(CCCCCP(C1=CC=CC=C1)C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4\",\n \"1,4-Bis(diphenylphosphino)butane\": \"P(CCCCP(C1=CC=CC=C1)C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4\",\n \"1,3-Bis(diphenylphosphino)propane\": \"P(CCCP(C1=CC=CC=C1)C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4\",\n \"[1,3-Bis(diphenylphosphino)propane]nickel(II) Dichloride\": \"P(CCCP(C1=CC=CC=C1)C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Ni+2].[Cl-].[Cl-]\",\n \"1,2-Bis(diphenylphosphino)ethane\": \"P(CCP(C1=CC=CC=C1)C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4\",\n \"[1,2-Bis(diphenylphosphino)ethane]nickel(II) Dichloride\": \"P(CCP(C1=CC=CC=C1)C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Ni+2].[Cl-].[Cl-]\",\n \"Bis(diphenylphosphino)methane\": \"P(CP(C1=CC=CC=C1)C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4\",\n \"Triphenyl Phosphite\": \"P(OC1=CC=CC=C1)(OC2=CC=CC=C2)OC3=CC=CC=C3\",\n \"Tebbe reagent\": \"C[Al-]1(C[Ti+2][Cl+]1)C.[cH-]1cccc1.[cH-]1cccc1\"\n}","export const ligands = {\n \"(-)-2,2'-Methylenebis[(3aS,8aR)-3a,8a-dihydro-8H-indeno[1,2-d]oxazole]\": \"[H][C@@]12N=C(CC3=N[C@]4([H])[C@](CC5=C4C=CC=C5)([H])O3)O[C@]1([H])CC6=C2C=CC=C6\",\n \"(-)-Sparteine\": \"[H][C@]12CCCCN1C[C@H]3[C@]4([H])CCCCN4C[C@@H]2C3\",\n \"(+)-2,2'-Methylenebis[(3aR,8aS)-3a,8a-dihydro-8H-indeno[1,2-d]oxazole]\": \"[H][C@]12N=C(CC3=N[C@@]4([H])[C@@](CC5=C4C=CC=C5)([H])O3)O[C@@]1([H])CC6=C2C=CC=C6\",\n \"(+)-Sparteine\": \"[H][C@]12CCCCN1C[C@H]3[C@]4([H])CCCCN4C[C@@H]2C3\",\n \"(1R,2R)-(-)-1,2-Cyclohexanediamine\": \"N[C@H]1[C@H](N)CCCC1\",\n \"(1R,2R)-(-)-N,N'-Dimethylcyclohexane-1,2-diamine\": \"CN[C@H]1[C@H](NC)CCCC1\",\n \"(1R,2R)-(+)-1,2-Diphenylethylenediamine\": \"N[C@H](C1=CC=CC=C1)[C@@H](C2=CC=CC=C2)N\",\n \"(1R,2R)-1,2-Bis(2,4,6-trimethylphenyl)ethylenediamine\": \"N[C@H](C1=C(C)C=C(C)C=C1C)[C@@H](C2=C(C)C=C(C)C=C2C)N\",\n \"(1R,2R)-1,2-Bis(2-hydroxyphenyl)ethylenediamine\": \"N[C@H](C1=CC=CC=C1O)[C@@H](C2=CC=CC=C2O)N\",\n \"(1R,2R,4R,5R)-2,5-Bis(3,5-di-tert-butyl-2-hydroxybenzylideneamino)bicyclo[2.2.1]heptane\": \"OC1=C(C(C)(C)C)C=C(C(C)(C)C)C=C1/C=N/[C@H]2[C@@]3([H])C[C@@H](/N=C/C4=CC(C(C)(C)C)=CC(C(C)(C)C)=C4O)[C@@](C3)([H])C2\",\n \"(1S)-3-(1,10-Phenanthrolin-2-yl)-2'-phenyl-[1,1'-binaphthalen]-2-ol\": \"OC1=C(C2=NC3=C4N=CC=CC4=CC=C3C=C2)C=C5C=CC=CC5=C1C6=C7C=CC=CC7=CC=C6C8=CC=CC=C8\",\n \"(1S,2S)-(-)-1,2-Diphenylethylenediamine\": \"N[C@@H](C1=CC=CC=C1)[C@H](C2=CC=CC=C2)N\",\n \"(1S,2S)-(+)-1,2-Cyclohexanediamine\": \"N[C@@H]1[C@@H](N)CCCC1\",\n \"(1S,2S)-(+)-N,N'-Dimethylcyclohexane-1,2-diamine\": \"CN[C@@H]1[C@@H](NC)CCCC1\",\n \"(1S,2S)-1,2-Bis(2,4,6-trimethylphenyl)ethylenediamine\": \"N[C@@H](C1=C(C)C=C(C)C=C1C)[C@H](C2=C(C)C=C(C)C=C2C)N\",\n \"(1S,2S)-1,2-Bis(2-hydroxyphenyl)ethylenediamine\": \"N[C@@H](C1=CC=CC=C1O)[C@H](C2=CC=CC=C2O)N\",\n \"(1S,2S)-N,N'-Dihydroxy-N,N'-bis(diphenylacetyl)cyclohexane-1,2-diamine\": \"O=C(N(O)[C@@H]1[C@@H](N(O)C(C(C2=CC=CC=C2)C3=CC=CC=C3)=O)CCCC1)C(C4=CC=CC=C4)C5=CC=CC=C5\",\n \"(1S,2S,4S,5S)-2,5-Bis(3,5-di-tert-butyl-2-hydroxybenzylideneamino)bicyclo[2.2.1]heptane\": \"OC1=C(C(C)(C)C)C=C(C(C)(C)C)C=C1/C=N/[C@@H]2[C@]3([H])C[C@H](/N=C/C4=CC(C(C)(C)C)=CC(C(C)(C)C)=C4O)[C@](C3)([H])C2\",\n \"(4S,4'S)-2,2'-(Pentane-3,3'-diyl)bis(4-benzyl-4,5-dihydrooxazole)\": \"CCC(C1=N[C@H](CO1)CC2=CC=CC=C2)(C3=N[C@H](CO3)CC4=CC=CC=C4)CC\",\n \"(R)-3,3'-Bis[[[(1R,2R)-2-(isoindolin-2-yl)-1,2-diphenylethyl]imino]methyl]-1,1'-bi-2-naphthol\": \"OC1=C(/C=N/[C@H](C2=CC=CC=C2)[C@H](N3CC4=C(C=CC=C4)C3)C5=CC=CC=C5)C=C6C=CC=CC6=C1C7=C8C=CC=CC8=CC(/C=N/[C@H](C9=CC=CC=C9)[C@H](N%10CC%11=C(C=CC=C%11)C%10)C%12=CC=CC=C%12)=C7O\",\n \"(R,R)-(-)-2,3-Dimethoxy-1,4-bis(dimethylamino)butane\": \"CN(C[C@@H](OC)[C@H](OC)CN(C)C)C\",\n \"(R,R)-(-)-N,N'-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediamine\": \"OC1=C(C(C)(C)C)C=C(C(C)(C)C)C=C1/C=N/[C@H]2[C@H](/N=C/C3=CC(C(C)(C)C)=CC(C(C)(C)C)=C3O)CCCC2\",\n \"(R,R)-(+)-2,2'-Isopropylidenebis(4-tert-butyl-2-oxazoline)\": \"CC(C1=N[C@H](C(C)(C)C)CO1)(C2=N[C@H](C(C)(C)C)CO2)C\",\n \"(R,R)-2,2'-Isopropylidenebis(4-phenyl-2-oxazoline)\": \"CC(C1=N[C@H](C2=CC=CC=C2)CO1)(C3=N[C@H](C4=CC=CC=C4)CO3)C\",\n \"(R,R)-2,6-Bis(4-isopropyl-2-oxazolin-2-yl)pyridine\": \"CC([C@H]1N=C(C2=CC=CC(C3=N[C@H](C(C)C)CO3)=N2)OC1)C\",\n \"(R,R)-2,6-Bis(4-phenyl-2-oxazolin-2-yl)pyridine\": \"C1(C2=N[C@H](C3=CC=CC=C3)CO2)=NC(C4=N[C@H](C5=CC=CC=C5)CO4)=CC=C1\",\n \"(R,R)-N-(2-Amino-1,2-diphenylethyl)-p-toluenesulfonamide\": \"CC1=CC=C(S(=O)(N[C@H](C2=CC=CC=C2)[C@H](N)C3=CC=CC=C3)=O)C=C1\",\n \"(S)-1-(Diphenylphosphino)-2-[(S)-4-isopropyloxazolin-2-yl]ferrocene\": \"CC(C)[C@@H]1N=C(c2c(P(C3=CC=CC=C3)C4=CC=CC=C4)ccc2)OC1.[Del][Fe][Del].c5cccc5\",\n \"(S)-2,4-Diphenyl-4,5-dihydrooxazole\": \"C1(C2=CC=CC=C2)=N[C@@H](C3=CC=CC=C3)CO1\",\n \"(S)-4-tert-Butyl-2-(2-pyridyl)oxazoline\": \"CC([C@@H]1N=C(C2=NC=CC=C2)OC1)(C)C\",\n \"(S,S)-(-)-2,2'-Isopropylidenebis(4-tert-butyl-2-oxazoline)\": \"CC(C1=N[C@@H](C(C)(C)C)CO1)(C2=N[C@@H](C(C)(C)C)CO2)C\",\n \"(S,S)-(+)-2,3-Dimethoxy-1,4-bis(dimethylamino)butane\": \"CN(C[C@H](OC)[C@@H](OC)CN(C)C)C\",\n \"(S,S'')-2,2''-Bis[(S)-4-isopropyloxazolin-2-yl]-1,1''-biferrocene\": \"CC(C)[C@H]1OC(c2c(c3cccc3C4=N[C@@H](C(C)C)CO4)ccc2)=NC1.[Del][Fe][Del].[Del][Fe][Del].c5cccc5.c6cccc6\",\n \"(S,S)-2,2'-Isopropylidenebis(4-phenyl-2-oxazoline)\": \"CC(C1=N[C@@H](C2=CC=CC=C2)CO1)(C3=N[C@@H](C4=CC=CC=C4)CO3)C\",\n \"(S,S)-2,6-Bis(4-isopropyl-2-oxazolin-2-yl)pyridine\": \"CC([C@@H]1N=C(C2=CC=CC(C3=N[C@@H](C(C)C)CO3)=N2)OC1)C\",\n \"(S,S)-2,6-Bis(4-phenyl-2-oxazolin-2-yl)pyridine\": \"C1(C2=N[C@@H](C3=CC=CC=C3)CO2)=NC(C4=N[C@@H](C5=CC=CC=C5)CO4)=CC=C1\",\n \"(S,S)-4,6-Bis(4-isopropyl-2-oxazolin-2-yl)-m-xylene\": \"CC1=C(C2=N[C@@H](C(C)C)CO2)C=C(C3=N[C@@H](C(C)C)CO3)C(C)=C1\",\n \"(S,S)-N-(2-Amino-1,2-diphenylethyl)-p-toluenesulfonamide\": \"CC1=CC=C(S(=O)(N[C@@H](C2=CC=CC=C2)[C@@H](N)C3=CC=CC=C3)=O)C=C1\",\n \"1,1'-(2,6-Pyridinediyl)bis(3-methylimidazolium) Dibromide\": \"C[N+]1=CN(C2=NC(N3C=C[N+](C)=C3)=CC=C2)C=C1.[Br-].[Br-]\",\n \"1,1,4,7,10,10-Hexamethyltriethylenetetramine\": \"CN(CCN(C)C)CCN(C)CCN(C)C\",\n \"1,10-Phenanthroline Monohydrate\": \"[H]O[H].C12=CC=C3C=CC=NC3=C1N=CC=C2\",\n \"1,10-Phenanthroline-5,6-dione\": \"O=C1C2=C(N=CC=C2)C3=C(C=CC=N3)C1=O\",\n \"1,2-Bis(4'-methyl-2,2'-bipyridin-4-yl)ethane\": \"CC1=CC(C2=NC=CC(CCC3=CC(C4=NC=CC(C)=C4)=NC=C3)=C2)=NC=C1\",\n \"1,2-Phenylenediamine\": \"NC1=CC=CC=C1N\",\n \"1,4,7,10,13,16-Hexaazacyclooctadecane\": \"N1CCNCCNCCNCCNCCNCC1\",\n \"1,4,7,10,13,16-Hexaazacyclooctadecane Hexahydrochloride\": \"[H]Cl.[H]Cl.[H]Cl.[H]Cl.[H]Cl.[H]Cl.N1CCNCCNCCNCCNCCNCC1\",\n \"1,4,7,10-Tetraazacyclododecane\": \"N1CCNCCNCCNCC1\",\n \"1,4,7,10-Tetraazacyclododecane Tetrahydrochloride\": \"[H]Cl.[H]Cl.[H]Cl.[H]Cl.N1CCNCCNCCNCC1\",\n \"1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic Acid\": \"O=C(O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1\",\n \"1,4,7,10-Tetrabenzyl-1,4,7,10-tetraazacyclododecane\": \"N1(CC2=CC=CC=C2)CCN(CC3=CC=CC=C3)CCN(CC4=CC=CC=C4)CCN(CC5=CC=CC=C5)CC1\",\n \"1,4,7-Triazacyclononane\": \"N1CCNCCNCC1\",\n \"1,4,7-Trimethyl-1,4,7-triazacyclononane (stabilized with NaHCO3)\": \"CN1CCN(C)CCN(C)CC1\",\n \"1,4,8,11-Tetramethyl-1,4,8,11-tetraazacyclotetradecane\": \"CN1CCN(C)CCCN(C)CCN(C)CCC1\",\n \"1,4-Di[[2,2':6',2''-terpyridin]-4'-yl]benzene\": \"C1(C2=CC(C3=NC=CC=C3)=NC(C4=NC=CC=C4)=C2)=CC=C(C5=CC(C6=NC=CC=C6)=NC(C7=NC=CC=C7)=C5)C=C1\",\n \"1,4-Diazabicyclo[2.2.2]octane\": \"N1(CC2)CCN2CC1\",\n \"1,5,9-Triazacyclododecane\": \"N1CCCNCCCNCCC1\",\n \"2-(1H-1,2,4-Triazol-3-yl)pyridine\": \"C1(C2=NNC=N2)=NC=CC=C1\",\n \"2-(2-Hydroxyphenyl)benzothiazole\": \"OC1=CC=CC=C1C2=NC3=CC=CC=C3S2\",\n \"2-(2-Hydroxyphenyl)benzoxazole\": \"OC1=CC=CC=C1C2=NC3=CC=CC=C3O2\",\n \"2-(2-Pyridyl)benzoxazole\": \"C1(C2=NC=CC=C2)=NC3=CC=CC=C3O1\",\n \"2-(2-Pyridyl)indole\": \"C(N1)(C2=NC=CC=C2)=CC3=C1C=CC=C3\",\n \"2-(4-Thiazolyl)benzimidazole\": \"C1(C2=CSC=N2)=NC3=CC=CC=C3N1\",\n \"2,2'-(Methylimino)bis(N,N-di-n-octylacetamide)\": \"CN(CC(N(CCCCCCCC)CCCCCCCC)=O)CC(N(CCCCCCCC)CCCCCCCC)=O\",\n \"2,2':6',2''-Terpyridine\": \"C1(C2=NC(C3=NC=CC=C3)=CC=C2)=NC=CC=C1\",\n \"2,2':6',2''-Terpyridine-4'-carboxylic Acid\": \"O=C(C1=CC(C2=NC=CC=C2)=NC(C3=NC=CC=C3)=C1)O\",\n \"2,2'-Bi(1,8-naphthyridine)\": \"C1(C2=NC3=NC=CC=C3C=C2)=NC4=NC=CC=C4C=C1\",\n \"2,2'-Bi-4-lepidine\": \"CC1=CC(C2=NC3=CC=CC=C3C(C)=C2)=NC4=C1C=CC=C4\",\n \"2,2'-Bicinchoninic Acid Dipotassium Salt Hydrate [for Determination of Cu]\": \"O=C([O-])C1=CC(C2=NC3=CC=CC=C3C(C([O-])=O)=C2)=NC4=CC=CC=C14.[H]O[H].[K+].[K+]\",\n \"2,2'-Biimidazole\": \"C1(C2=NC=CN2)=NC=CN1\",\n \"2,2'-Bipyrazine\": \"C1(C2=NC=CN=C2)=NC=CN=C1\",\n \"2,2'-Bipyridine-3,3'-dicarboxylic Acid\": \"O=C(C1=CC=CN=C1C2=NC=CC=C2C(O)=O)O\",\n \"2,2'-Bipyridine-3,3'-diol\": \"OC1=CC=CN=C1C2=NC=CC=C2O\",\n \"2,2'-Bipyridine-4,4'-dicarboxylic Acid\": \"O=C(C1=CC(C2=NC=CC(C(O)=O)=C2)=NC=C1)O\",\n \"2,2'-Bipyridine-5,5'-dicarboxylic Acid\": \"O=C(C1=CN=C(C2=NC=C(C(O)=O)C=C2)C=C1)O\",\n \"2,2'-Bipyridine-6,6'-dicarboxylic Acid\": \"O=C(C1=CC=CC(C2=NC(C(O)=O)=CC=C2)=N1)O\",\n \"2,2'-Bipyridine-6,6'-diol\": \"OC1=CC=CC(C2=NC(O)=CC=C2)=N1\",\n \"2,2'-Bipyridine-6-carbonitrile\": \"N#CC1=CC=CC(C2=NC=CC=C2)=N1\",\n \"2,2'-Bipyridyl\": \"C1(C2=NC=CC=C2)=NC=CC=C1\",\n \"2,2'-Bipyridyl 1,1'-Dioxide\": \"[O-][N+]1=CC=CC=C1C2=CC=CC=[N+]2[O-]\",\n \"2,2'-Bipyrimidyl\": \"C1(C2=NC=CC=N2)=NC=CC=N1\",\n \"2,2'-Biquinoline\": \"C1(C2=NC3=CC=CC=C3C=C2)=NC4=CC=CC=C4C=C1\",\n \"2,2'-Diamino-4,4'-bithiazole\": \"NC1=NC(C2=CSC(N)=N2)=CS1\",\n \"2,2'-Methylenebisbenzothiazole\": \"C1(CC2=NC3=CC=CC=C3S2)=NC4=CC=CC=C4S1\",\n \"2,3,7,8,12,13,17,18-Octaethylporphyrin\": \"CCC1=C(CC)C2=NC1=CC3=C(CC)C(CC)=C(N3)C=C4C(CC)=C(CC)C(C=C5C(CC)=C(CC)C(N5)=C2)=N4\",\n \"2,3,7,8,12,13,17,18-Octafluoro-5,10,15,20-tetrakis(pentafluorophenyl)porphyrin\": \"FC1=C(F)C(F)=C(F)C(F)=C1C2=C3C(F)=C(F)C(C(C4=C(F)C(F)=C(F)C(F)=C4F)=C(N5)C(F)=C(F)C5=C(C6=C(F)C(F)=C(F)C(F)=C6F)C7=NC(C(F)=C7F)=C(C8=C(F)C(F)=C(F)C(F)=C8F)C9=C(F)C(F)=C2N9)=N3\",\n \"2,3-Lutidine\": \"CC1=NC=CC=C1C\",\n \"2,4,6-Tri(2-pyridyl)-1,3,5-triazine\": \"C1(C2=NC=CC=C2)=NC(C3=NC=CC=C3)=NC(C4=NC=CC=C4)=N1\",\n \"2,4,6-Tri(4-pyridyl)-1,3,5-triazine (purified by sublimation)\": \"C1(C2=CC=NC=C2)=NC(C3=CC=NC=C3)=NC(C4=CC=NC=C4)=N1\",\n \"2,4-Dibromo-6-[(E)-[[(1R,2R)-2-(isoindolin-2-yl)-1,2-diphenylethyl]imino]methyl]phenol\": \"OC1=C(/C=N/[C@H](C2=CC=CC=C2)[C@H](N3CC4=C(C=CC=C4)C3)C5=CC=CC=C5)C=C(Br)C=C1Br\",\n \"2,4-Dibromo-6-[[[[(4S,5S)-4,5-dihydro-4,5-diphenyl-1-tosyl-1H-imidazol-2-yl]methyl][(S)-1-phenylethyl]amino]methyl]phenol\": \"OC1=C(CN(CC2=N[C@@H](C3=CC=CC=C3)[C@H](C4=CC=CC=C4)N2S(=O)(C5=CC=C(C)C=C5)=O)[C@H](C6=CC=CC=C6)C)C=C(Br)C=C1Br\",\n \"2,4-Lutidine\": \"CC1=NC=CC(C)=C1\",\n \"2,5-Diphenylpyridine\": \"C1(C2=CC=CC=C2)=NC=C(C3=CC=CC=C3)C=C1\",\n \"2,5-Lutidine\": \"CC1=NC=C(C)C=C1\",\n \"2,6-Bis(2-benzimidazolyl)pyridine\": \"C1(C2=NC3=CC=CC=C3N2)=NC(C4=NC5=CC=CC=C5N4)=CC=C1\",\n \"2,6-Bis(2-pyridyl)-4(1H)-pyridone\": \"O=C1C=C(C2=NC=CC=C2)NC(C3=NC=CC=C3)=C1\",\n \"2,6-Bis[(2R,4S,5S)-1-benzyl-4,5-diphenylimidazolidin-2-yl]pyridine\": \"C1([C@@H]2N[C@@H](C3=CC=CC=C3)[C@H](C4=CC=CC=C4)N2CC5=CC=CC=C5)=NC([C@@H]6N[C@@H](C7=CC=CC=C7)[C@H](C8=CC=CC=C8)N6CC9=CC=CC=C9)=CC=C1\",\n \"2,6-Bis[(2S,4S)-4-methyl-5,5-diphenyloxazolidin-2-yl]pyridine\": \"C[C@@H]1N[C@H](C2=CC=CC([C@@H]3OC(C4=CC=CC=C4)(C5=CC=CC=C5)[C@H](C)N3)=N2)OC1(C6=CC=CC=C6)C7=CC=CC=C7\",\n \"2,6-Bis[(2S,5S)-4,4-diphenyl-1-aza-3-oxabicyclo[3.3.0]octan-2-yl]pyridine\": \"[H][C@]12C(C3=CC=CC=C3)(C4=CC=CC=C4)O[C@@H](C5=CC=CC([C@H]6N7CCC[C@@]7([H])C(C8=CC=CC=C8)(C9=CC=CC=C9)O6)=N5)N1CCC2\",\n \"2,6-Di(1-pyrazolyl)pyridine\": \"C1(N2N=CC=C2)=NC(N3N=CC=C3)=CC=C1\",\n \"2,6-Di(2H-1,2,3-triazol-4-yl)pyridine\": \"C1(C2=NNN=C2)=NC(C3=NNN=C3)=CC=C1\",\n \"2,6-Lutidine\": \"CC1=NC(C)=CC=C1\",\n \"2,9-Dibutyl-1,10-phenanthroline\": \"CCCCC1=NC2=C3N=C(CCCC)C=CC3=CC=C2C=C1\",\n \"2,9-Dichloro-1,10-phenanthroline\": \"ClC1=NC2=C3N=C(Cl)C=CC3=CC=C2C=C1\",\n \"2,9-Diphenyl-1,10-phenanthroline\": \"C1(C2=CC=CC=C2)=NC3=C4N=C(C5=CC=CC=C5)C=CC4=CC=C3C=C1\",\n \"2-Bromo-1,10-phenanthroline\": \"BrC1=NC2=C3N=CC=CC3=CC=C2C=C1\",\n \"2-Chloro-1,10-phenanthroline\": \"ClC1=NC2=C3N=CC=CC3=CC=C2C=C1\",\n \"2-Hydroxybenzaldehyde Phenylhydrazone\": \"OC1=CC=CC=C1/C=N/NC2=CC=CC=C2\",\n \"2-Methyl-1,10-phenanthroline\": \"CC1=NC2=C3N=CC=CC3=CC=C2C=C1\",\n \"2-Salicylideneaminophenol\": \"OC1=CC=CC=C1/N=C/C2=CC=CC=C2O\",\n \"3,3'-Iminobis(N,N-dimethylpropylamine)\": \"CN(C)CCCNCCCN(C)C\",\n \"3,4,7,8-Tetramethyl-1,10-phenanthroline\": \"CC1=C(C)C2=CC=C3C(C)=C(C)C=NC3=C2N=C1\",\n \"3,4-Lutidine\": \"CC1=C(C)C=CN=C1\",\n \"3,5,6,8-Tetrabromo-1,10-phenanthroline\": \"BrC1=CC2=C(Br)C(Br)=C3C=C(Br)C=NC3=C2N=C1\",\n \"3,5-Di(2-pyridyl)pyrazole\": \"C1(C2=NC=CC=C2)=NNC(C3=NC=CC=C3)=C1\",\n \"3,5-Lutidine\": \"CC1=CC(C)=CN=C1\",\n \"3,6-Di(2-pyridyl)-1,2,4,5-tetrazine\": \"C1(C2=NC=CC=C2)=NN=C(C3=NC=CC=C3)N=N1\",\n \"3,8-Dibromo-1,10-phenanthroline\": \"BrC1=CC2=CC=C3C=C(Br)C=NC3=C2N=C1\",\n \"3-Bromo-1,10-phenanthroline\": \"BrC1=CC2=CC=C3C=CC=NC3=C2N=C1\",\n \"4-([2,2':6',2''-Terpyridin]-4'-yl)benzoic Acid\": \"O=C(O)C1=CC=C(C2=CC(C3=NC=CC=C3)=NC(C4=NC=CC=C4)=C2)C=C1\",\n \"4'-(4-Bromophenyl)-2,2':6',2''-terpyridine\": \"BrC1=CC=C(C2=CC(C3=NC=CC=C3)=NC(C4=NC=CC=C4)=C2)C=C1\",\n \"4'-(4-Pyridyl)-2,2':6',2''-terpyridine\": \"C1(C2=NC(C3=NC=CC=C3)=CC(C4=CC=NC=C4)=C2)=NC=CC=C1\",\n \"4-(Bromomethyl)-4'-methyl-2,2'-bipyridyl\": \"CC1=CC(C2=NC=CC(CBr)=C2)=NC=C1\",\n \"4-(Chloromethyl)-4'-methyl-2,2'-bipyridyl\": \"CC1=CC(C2=NC=CC(CCl)=C2)=NC=C1\",\n \"4,4'-Bis(5-hexyl-2-thienyl)-2,2'-bipyridyl\": \"CCCCCCC1=CC=C(C2=CC(C3=NC=CC(C4=CC=C(CCCCCC)S4)=C3)=NC=C2)S1\",\n \"4,4'-Bis(chloromethyl)-2,2'-bipyridyl\": \"ClCC1=CC(C2=NC=CC(CCl)=C2)=NC=C1\",\n \"4,4'-Bis(hydroxymethyl)-2,2'-bipyridine\": \"OCC1=CC(C2=NC=CC(CO)=C2)=NC=C1\",\n \"4,4'-Diamino-2,2'-bipyridyl\": \"NC1=CC(C2=NC=CC(N)=C2)=NC=C1\",\n \"4,4'-Dibromo-2,2'-bipyridyl\": \"BrC1=CC(C2=NC=CC(Br)=C2)=NC=C1\",\n \"4,4'-Dimethoxy-2,2'-bipyridyl\": \"COC1=CC(C2=NC=CC(OC)=C2)=NC=C1\",\n \"4,4'-Dimethyl-2,2'-bipyridyl\": \"CC1=CC(C2=NC=CC(C)=C2)=NC=C1\",\n \"4,4'-Dimethyl-2,2'-bipyridyl 1-Oxide\": \"CC1=CC(C2=CC(C)=CC=[N+]2[O-])=NC=C1\",\n \"4,4'-Dinonyl-2,2'-bipyridyl\": \"CCCCCCCCCC1=CC(C2=NC=CC(CCCCCCCCC)=C2)=NC=C1\",\n \"4,4'-Di-tert-butyl-2,2'-bipyridyl\": \"CC(C1=CC(C2=NC=CC(C(C)(C)C)=C2)=NC=C1)(C)C\",\n \"4,5-Diazafluoren-9-one\": \"O=C1C2=CC=CN=C2C3=C1C=CC=N3\",\n \"4,5-Diazafluorene-9-one O-(p-Toluenesulfonyl)oxime\": \"O=S(ON=C1C2=CC=CN=C2C3=C1C=CC=N3)(C4=CC=C(C)C=C4)=O\",\n \"4,7-Dibromo-1,10-phenanthroline Hydrate\": \"BrC1=CC=NC2=C3N=CC=C(Br)C3=CC=C12.[H]O[H]\",\n \"4,7-Dichloro-1,10-phenanthroline Hydrate\": \"ClC1=CC=NC2=C3N=CC=C(Cl)C3=CC=C12.[H]O[H]\",\n \"4,7-Dihydroxy-1,10-phenanthroline\": \"OC1=CC=NC2=C3N=CC=C(O)C3=CC=C12\",\n \"4,7-Dimethyl-1,10-phenanthroline\": \"CC1=CC=NC2=C3N=CC=C(C)C3=CC=C12\",\n \"4'-Bromo-2,2':6',2''-terpyridine\": \"BrC1=CC(C2=NC=CC=C2)=NC(C3=NC=CC=C3)=C1\",\n \"4'-Chloro-2,2':6',2''-terpyridine\": \"ClC1=CC(C2=NC=CC=C2)=NC(C3=NC=CC=C3)=C1\",\n \"4-Fluoro-N-salicylideneaniline\": \"OC1=CC=CC=C1/C=N/C2=CC=C(F)C=C2\",\n \"4-Hydroxymethyl-4'-methyl-2,2'-bipyridyl\": \"CC1=CC(C2=NC=CC(CO)=C2)=NC=C1\",\n \"5,10,15,20-Tetra(4-pyridyl)porphyrin\": \"C1(C2=CC=NC=C2)=C3C=CC(C(C4=CC=NC=C4)=C5C=CC(N5)=C(C6=CC=NC=C6)C(C=C7)=NC7=C(C8=CC=NC=C8)C9=CC=C1N9)=N3\",\n \"5,10,15,20-Tetrakis(2,4,6-trimethylphenyl)porphyrin\": \"CC1=C(C2=C3C=CC(C(C4=C(C)C=C(C)C=C4C)=C(N5)C=CC5=C(C6=C(C)C=C(C)C=C6C)C7=NC(C=C7)=C(C8=C(C)C=C(C)C=C8C)C9=CC=C2N9)=N3)C(C)=CC(C)=C1\",\n \"5,10,15,20-Tetrakis(2,6-dichlorophenyl)porphyrin\": \"ClC1=C(C2=C3C=CC(C(C4=C(Cl)C=CC=C4Cl)=C(N5)C=CC5=C(C6=C(Cl)C=CC=C6Cl)C7=NC(C=C7)=C(C8=C(Cl)C=CC=C8Cl)C9=CC=C2N9)=N3)C(Cl)=CC=C1\",\n \"5,10,15,20-Tetrakis(3,5-dihydroxyphenyl)porphyrin\": \"OC1=CC(O)=CC(C2=C3C=CC(C(C4=CC(O)=CC(O)=C4)=C(N5)C=CC5=C(C6=CC(O)=CC(O)=C6)C7=NC(C=C7)=C(C8=CC(O)=CC(O)=C8)C9=CC=C2N9)=N3)=C1\",\n \"5,10,15,20-Tetrakis(3,5-dimethoxyphenyl)porphyrin\": \"COC1=CC(OC)=CC(C2=C3C=CC(C(C4=CC(OC)=CC(OC)=C4)=C(N5)C=CC5=C(C6=CC(OC)=CC(OC)=C6)C7=NC(C=C7)=C(C8=CC(OC)=CC(OC)=C8)C9=CC=C2N9)=N3)=C1\",\n \"5,10,15,20-Tetrakis(4-carboxymethyloxyphenyl)porphyrin\": \"O=C(COC1=CC=C(C2=C3C=CC(C(C4=CC=C(OCC(O)=O)C=C4)=C(N5)C=CC5=C(C6=CC=C(OCC(O)=O)C=C6)C7=NC(C=C7)=C(C8=CC=C(OCC(O)=O)C=C8)C9=CC=C2N9)=N3)C=C1)O\",\n \"5,10,15,20-Tetrakis(4-hydroxyphenyl)porphyrin\": \"OC1=CC=C(C2=C3C=CC(C(C4=CC=C(O)C=C4)=C(N5)C=CC5=C(C6=CC=C(O)C=C6)C7=NC(C=C7)=C(C8=CC=C(O)C=C8)C9=CC=C2N9)=N3)C=C1\",\n \"5,10,15,20-Tetrakis(4-methoxyphenyl)porphyrin\": \"COC1=CC=C(C2=C3C=CC(C(C4=CC=C(OC)C=C4)=C(N5)C=CC5=C(C6=CC=C(OC)C=C6)C7=NC(C=C7)=C(C8=CC=C(OC)C=C8)C9=CC=C2N9)=N3)C=C1\",\n \"5,10,15,20-Tetrakis(pentafluorophenyl)porphyrin\": \"FC1=C(F)C(F)=C(F)C(F)=C1C2=C3C=CC(C(C4=C(F)C(F)=C(F)C(F)=C4F)=C(N5)C=CC5=C(C6=C(F)C(F)=C(F)C(F)=C6F)C7=NC(C=C7)=C(C8=C(F)C(F)=C(F)C(F)=C8F)C9=CC=C2N9)=N3\",\n \"5,10,15,20-Tetrakis(p-tolyl)porphyrin\": \"CC1=CC=C(C2=C3C=CC(C(C4=CC=C(C)C=C4)=C(N5)C=CC5=C(C6=CC=C(C)C=C6)C7=NC(C=C7)=C(C8=CC=C(C)C=C8)C9=CC=C2N9)=N3)C=C1\",\n \"5,5'-Bis(trifluoromethyl)-2,2'-bipyridyl\": \"FC(C1=CN=C(C2=NC=C(C(F)(F)F)C=C2)C=C1)(F)F\",\n \"5,5'-Dibromo-2,2'-bipyridyl\": \"BrC1=CN=C(C2=NC=C(Br)C=C2)C=C1\",\n \"5,5'-Dimethyl-2,2'-bipyridyl\": \"CC1=CN=C(C2=NC=C(C)C=C2)C=C1\",\n \"5,6-Dimethyl-1,10-phenanthroline\": \"CC1=C2C=CC=NC2=C3N=CC=CC3=C1C\",\n \"5-Bromo-1,10-phenanthroline\": \"BrC1=C2C=CC=NC2=C3N=CC=CC3=C1\",\n \"5-Chloro-1,10-phenanthroline\": \"ClC1=C2C=CC=NC2=C3N=CC=CC3=C1\",\n \"5-Methyl-1,10-phenanthroline Hydrate [for Colorimetric Determination of Iron]\": \"CC1=C2C=CC=NC2=C3N=CC=CC3=C1.[H]O[H]\",\n \"5-Nitro-1,10-phenanthroline\": \"O=[N+](C1=C2C=CC=NC2=C3N=CC=CC3=C1)[O-]\",\n \"6,6'-Bis(chloromethyl)-2,2'-bipyridyl\": \"ClCC1=CC=CC(C2=NC(CCl)=CC=C2)=N1\",\n \"6,6'-Diamino-2,2'-bipyridyl\": \"NC1=CC=CC(C2=NC(N)=CC=C2)=N1\",\n \"6,6'-Dibromo-2,2'-bipyridyl\": \"BrC1=CC=CC(C2=NC(Br)=CC=C2)=N1\",\n \"6,6'-Dicyano-2,2'-bipyridyl\": \"N#CC1=CC=CC(C2=NC(C#N)=CC=C2)=N1\",\n \"6,6'-Dimethyl-2,2'-bipyridyl\": \"CC1=CC=CC(C2=NC(C)=CC=C2)=N1\",\n \"6-Bromo-2,2'-bipyridyl\": \"BrC1=CC=CC(C2=NC=CC=C2)=N1\",\n \"6-Bromo-4,4'-dimethyl-2,2'-bipyridyl\": \"CC1=CC(C2=NC(Br)=CC(C)=C2)=NC=C1\",\n \"Bathophenanthroline\": \"C1(C2=CC=CC=C2)=CC=NC3=C4N=CC=C(C5=CC=CC=C5)C4=CC=C13\",\n \"Bathophenanthroline (purified by sublimation)\": \"C1(C2=CC=CC=C2)=CC=NC3=C4N=CC=C(C5=CC=CC=C5)C4=CC=C13\",\n \"Bathophenanthrolinedisulfonic Acid Disodium Salt Hydrate [for Determination of Ferrous Ion]\": \"O=S(C1=NC2=C3N=CC=C(C4=CC=CC=C4)C3=CC=C2C(C5=CC=CC=C5)=C1S(=O)([O-])=O)([O-])=O.[H]O[H].[Na+].[Na+]\",\n \"Bicinchoninic Acid Disodium Salt Hydrate\": \"O=C([O-])C1=C(C2=C(C([O-])=O)C3=CC=CC=C3N=C2)C=NC4=CC=CC=C14.[H]O[H].[Na+].[Na+]\",\n \"Diethyl 2,2':6',2''-Terpyridine-4'-phosphonate\": \"O=P(C1=CC(C2=NC=CC=C2)=NC(C3=NC=CC=C3)=C1)(OCC)OCC\",\n \"Diethylenetriamine\": \"NCCNCCN\",\n \"Dimethyl 2,2'-Bipyridine-4,4'-dicarboxylate\": \"O=C(C1=CC(C2=NC=CC(C(OC)=O)=C2)=NC=C1)OC\",\n \"Dimethyl 2,2'-Bipyridine-6,6'-dicarboxylate\": \"O=C(C1=CC=CC(C2=NC(C(OC)=O)=CC=C2)=N1)OC\",\n \"Dipyrido[3,2-a:2',3'-c]phenazine\": \"C12=CC=CN=C1C3=NC=CC=C3C4=NC5=CC=CC=C5N=C42\",\n \"Hexamethylenetetramine\": \"N12CN3CN(C2)CN(C3)C1\",\n \"Imidazole\": \"C1=NC=CN1\",\n \"meso-Tetraphenylchlorin\": \"C1(C2=CC=CC=C2)=C(N3)CCC3=C(C4=CC=CC=C4)C5=NC(C=C5)=C(C6=CC=CC=C6)C(N7)=CC=C7C(C8=CC=CC=C8)=C9CCC1=N9\",\n \"Methyl 2,2':6',2''-Terpyridine-4'-carboxylate\": \"O=C(C1=CC(C2=NC=CC=C2)=NC(C3=NC=CC=C3)=C1)OC\",\n \"N,N,N',N'-Tetraethylethylenediamine\": \"CCN(CC)CCN(CC)CC\",\n \"N,N,N',N'-Tetrakis(2-pyridylmethyl)ethylenediamine\": \"N(CC1=NC=CC=C1)(CC2=NC=CC=C2)CCN(CC3=NC=CC=C3)CC4=NC=CC=C4\",\n \"N,N,N',N'-Tetramethyl-1,3-diaminopropane\": \"CN(C)CCCN(C)C\",\n \"N,N,N',N'-Tetramethyl-1,4-diaminobutane\": \"CN(C)CCCCN(C)C\",\n \"N,N,N',N'-Tetramethyl-1,6-diaminohexane\": \"CN(C)CCCCCCN(C)C\",\n \"N,N,N',N'-Tetramethylethylenediamine\": \"CN(C)CCN(C)C\",\n \"N,N',N''-Trimethyldiethylenetriamine\": \"CN(CCNC)CCNC\",\n \"N,N'-Bis(2-aminobenzal)ethylenediamine\": \"NC1=CC=CC=C1/C=N/CC/N=C/C2=CC=CC=C2N\",\n \"N,N'-Bis(2-pyridylmethyl)-1,2-ethylenediamine Tetrahydrochloride Dihydrate\": \"[H]Cl.[H]Cl.[H]Cl.[H]Cl.[H]O[H].[H]O[H].C1(CNCCNCC2=NC=CC=C2)=NC=CC=C1\",\n \"N,N'-Bis(3,5-di-tert-butylsalicylidene)-1,1,2,2-tetramethylethylenediamine\": \"CC(/N=C/C1=CC(C(C)(C)C)=CC(C(C)(C)C)=C1O)(C)C(C)(C)/N=C/C2=CC(C(C)(C)C)=CC(C(C)(C)C)=C2O\",\n \"N,N'-Bis(5-hydroxysalicylidene)ethylenediamine\": \"OC1=CC=C(O)C=C1/C=N/CC/N=C/C2=CC(O)=CC=C2O\",\n \"N,N'-Bis(salicylidene)-1,2-phenylenediamine\": \"OC1=CC=CC=C1/C=N/C2=CC=CC=C2/N=C/C3=CC=CC=C3O\",\n \"N,N'-Bis(salicylidene)-1,2-propanediamine\": \"CC(/N=C/C1=CC=CC=C1O)C/N=C/C2=CC=CC=C2O\",\n \"N,N'-Bis(salicylidene)-1,3-propanediamine\": \"OC1=CC=CC=C1/C=N/CCC/N=C/C2=CC=CC=C2O\",\n \"N,N'-Bis(salicylidene)ethylenediamine\": \"OC1=CC=CC=C1/C=N/CC/N=C/C2=CC=CC=C2O\",\n \"N,N'-Dicyclohexyl-1,2-ethanediamine Hydrate\": \"[H]O[H].C1(NCCNC2CCCCC2)CCCCC1\",\n \"N,N'-Dimethylethylenediamine\": \"CNCCNC\",\n \"N,N'-Diphenylethylenediamine\": \"C1(NCCNC2=CC=CC=C2)=CC=CC=C1\",\n \"N,N'-Di-tert-butylethylenediamine\": \"CC(NCCNC(C)(C)C)(C)C\",\n \"N-Salicylideneaniline\": \"OC1=CC=CC=C1/C=N/C2=CC=CC=C2\",\n \"Phthalocyanine\": \"C1(C2=N3)=C(C=CC=C1)C(N2)=NC4=NC(C5=C4C=CC=C5)=NC(N6)=C7C=CC=CC7=C6N=C8C9=C(C=CC=C9)C3=N8\",\n \"Phthalocyanine (purified by sublimation)\": \"C1(C2=N3)=C(C=CC=C1)C(N2)=NC4=NC(C5=C4C=CC=C5)=NC(N6)=C7C=CC=CC7=C6N=C8C9=C(C=CC=C9)C3=N8\",\n \"Quinuclidine\": \"N12CCC(CC2)CC1\",\n \"Tetraethyl 1,4,8,11-Tetraazacyclotetradecane-1,4,8,11-tetraacetate\": \"O=C(OCC)CN1CCN(CC(OCC)=O)CCCN(CC(OCC)=O)CCN(CC(OCC)=O)CCC1\",\n \"Tetraphenylporphyrin (Chlorin free)\": \"C1(C2=CC=CC=C2)=C3C=CC(C(C4=CC=CC=C4)=C5C=CC(N5)=C(C6=CC=CC=C6)C(C=C7)=NC7=C(C8=CC=CC=C8)C9=CC=C1N9)=N3\",\n \"trans-2,6-Diisopropyl-N-(2-pyridylmethylene)aniline\": \"CC(C1=C(C(C(C)C)=CC=C1)/N=C/C2=NC=CC=C2)C\",\n \"Triethylenetetramine\": \"NCCNCCNCCN\",\n \"Trimethyl 2,2':6',2''-Terpyridine-4,4',4''-tricarboxylate\": \"O=C(C1=CC(C2=NC(C3=NC=CC(C(OC)=O)=C3)=CC(C(OC)=O)=C2)=NC=C1)OC\",\n \"Tris(1-pyrazolyl)methane\": \"C(N1N=CC=C1)(N2N=CC=C2)N3N=CC=C3\",\n \"Tris(2-aminoethyl)amine\": \"NCCN(CCN)CCN\",\n \"Tris(2-benzimidazolylmethyl)amine\": \"N(CC1=NC2=CC=CC=C2N1)(CC3=NC4=CC=CC=C4N3)CC5=NC6=CC=CC=C6N5\",\n \"Tris(2-pyridylmethyl)amine\": \"N(CC1=NC=CC=C1)(CC2=NC=CC=C2)CC3=NC=CC=C3\",\n \"Tris(3,5-dimethyl-1-pyrazolyl)methane\": \"CC1=CC(C)=NN1C(N2N=C(C)C=C2C)N3N=C(C)C=C3C\",\n \"Tris(3-hydroxypropyltriazolylmethyl)amine\": \"OCCCC(N(C(CCCO)C1=CNN=N1)C(CCCO)C2=CNN=N2)C3=CNN=N3\",\n \"Tris[(1-benzyl-1H-1,2,3-triazol-4-yl)methyl]amine\": \"N(CC1=CN(CC2=CC=CC=C2)N=N1)(CC3=CN(CC4=CC=CC=C4)N=N3)CC5=CN(CC6=CC=CC=C6)N=N5\",\n \"Tris[2-(dimethylamino)ethyl]amine\": \"CN(CCN(CCN(C)C)CCN(C)C)C\",\n \"Tri-tert-butyl 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetate\": \"O=C(OC(C)(C)C)CN1CCN(CC(OC(C)(C)C)=O)CCN(CC(OC(C)(C)C)=O)CCN(CC([O-])=O)CC1\",\n \"Tri-tert-butyl 1,4,7,10-Tetraazacyclododecane-1,4,7-triacetate\": \"O=C(OC(C)(C)C)CN1CCN(CC(OC(C)(C)C)=O)CCN(CC(OC(C)(C)C)=O)CCNCC1\",\n \"Ethylene diamine\": \"NCCN\",\n \"1,1'-Bi-2-naphthol\": \"OC1=CC=C2C=CC=CC2=C1C3=C4C=CC=CC4=CC=C3O\",\n \"6,8-Bis(benzylthio)octanoic Acid\": \"O=C(O)CCCCC(SCC1=CC=CC=C1)CCSCC2=CC=CC=C2\",\n \"(2-Bromophenyl)diphenylphosphine\": \"BrC1=CC=CC=C1P(C2=CC=CC=C2)C3=CC=CC=C3\",\n \"(2R,3R)-(-)-1,4-Bis(diphenylphosphino)-2,3-O-isopropylidene-2,3-butanediol\": \"CC1(O[C@H]([C@@H](O1)CP(C2=CC=CC=C2)C3=CC=CC=C3)CP(C4=CC=CC=C4)C5=CC=CC=C5)C\",\n \"(2R,3R)-(-)-2,3-Bis(diphenylphosphino)bicyclo[2.2.1]hept-5-ene\": \"C1(C2)[C@@H](P(C3=CC=CC=C3)C4=CC=CC=C4)[C@H](P(C5=CC=CC=C5)C6=CC=CC=C6)C2C=C1\",\n \"(2S,3S)-(-)-Bis(diphenylphosphino)butane\": \"C[C@H](P(C1=CC=CC=C1)C2=CC=CC=C2)[C@@H](P(C3=CC=CC=C3)C4=CC=CC=C4)C\",\n \"(2S,3S)-(+)-1,4-Bis(diphenylphosphino)-2,3-O-isopropylidene-2,3-butanediol\": \"CC1(O[C@@H]([C@H](O1)CP(C2=CC=CC=C2)C3=CC=CC=C3)CP(C4=CC=CC=C4)C5=CC=CC=C5)C\",\n \"(2S,3S)-(+)-2,3-Bis(diphenylphosphino)bicyclo[2.2.1]hept-5-ene\": \"C1(C2)[C@H](P(C3=CC=CC=C3)C4=CC=CC=C4)[C@@H](P(C5=CC=CC=C5)C6=CC=CC=C6)C2C=C1\",\n \"(4-Dimethylaminophenyl)di-tert-butylphosphine\": \"CC(P(C1=CC=C(N(C)C)C=C1)C(C)(C)C)(C)C\",\n \"(Pentafluorophenyl)diphenylphosphine\": \"FC1=C(F)C(F)=C(F)C(F)=C1P(C2=CC=CC=C2)C3=CC=CC=C3\",\n \"(R)-(+)-2-Diphenylphosphino-2'-methoxy-1,1'-binaphthyl\": \"COC1=CC=C2C=CC=CC2=C1C3=C4C=CC=CC4=CC=C3P(C5=CC=CC=C5)C6=CC=CC=C6\",\n \"(R)-N,N-Dimethyl-1-[(S)-1',2-bis(diphenylphosphino)ferrocenyl]ethylamine\": \"C[C@@H](N(C)C)c1c(P(C2=CC=CC=C2)C3=CC=CC=C3)ccc1.[Del][Fe][Del].c4(P(C5=CC=CC=C5)C6=CC=CC=C6)cccc4\",\n \"(R)-N,N-Dimethyl-1-[(S)-2-(diphenylphosphino)ferrocenyl]ethylamine\": \"CN(C)[C@H](c1cccc1)CP(C2=CC=CC=C2)C3=CC=CC=C3.[Del][Fe][Del].c4cccc4\",\n \"(R,R)-(-)-2,3-Bis(tert-butylmethylphosphino)quinoxaline\": \"C[P@@](C1=NC2=CC=CC=C2N=C1[P@@](C(C)(C)C)C)C(C)(C)C\",\n \"(R,R)-1,2-Bis[(2-methoxyphenyl)phenylphosphino]ethane\": \"COC1=CC=CC=C1[P@](CC[P@@](C2=CC=CC=C2OC)C3=CC=CC=C3)C4=CC=CC=C4\",\n \"(R,R'')-2,2''-Bis(diphenylphosphino)-1,1''-biferrocene\": \"[Del][Fe][Del].[Del][Fe][Del].P(C1=CC=CC=C1)(c2cccc2c3cccc3P(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6.c7cccc7.c8cccc8\",\n \"(S)-N,N-Dimethyl-1-[(R)-1',2-bis(diphenylphosphino)ferrocenyl]ethylamine\": \"C[C@@H](N(C)C)c1c(P(C2=CC=CC=C2)C3=CC=CC=C3)ccc1.[Del][Fe][Del].c4(P(C5=CC=CC=C5)C6=CC=CC=C6)cccc4\",\n \"(S)-N,N-Dimethyl-1-[(R)-2-(diphenylphosphino)ferrocenyl]ethylamine\": \"CN(C)[C@@H](CP(C1=CC=CC=C1)C2=CC=CC=C2)c3cccc3.[Del][Fe][Del].c4cccc4\",\n \"(S,S)-(+)-2,3-Bis(tert-butylmethylphosphino)quinoxaline\": \"C[P@](C1=NC2=CC=CC=C2N=C1[P@](C(C)(C)C)C)C(C)(C)C\",\n \"(S,S)-1,2-Bis[(2-methoxyphenyl)phenylphosphino]ethane\": \"COC1=CC=CC=C1[P@@](CC[P@](C2=CC=CC=C2OC)C3=CC=CC=C3)C4=CC=CC=C4\",\n \"(S,S)-1,2-Bis[(tert-butyl)methylphosphino]ethane Bis(borane)\": \"C[P@@](CC[P@@](C(C)(C)C)C)C(C)(C)C.B.B\",\n \"1,1'-Bis(diisopropylphosphino)ferrocene\": \"CC(C)P(c1cccc1)C(C)C.CC(C)P(c2cccc2)C(C)C.[Del][Fe][Del]\",\n \"1,1'-Bis(diphenylphosphino)ferrocene\": \"[Del][Fe][Del].c1(P(C2=CC=CC=C2)C3=CC=CC=C3)cccc1.c4(P(C5=CC=CC=C5)C6=CC=CC=C6)cccc4\",\n \"1,1'-Bis(di-tert-butylphosphino)ferrocene\": \"CC(C)(C)P(c1cccc1)C(C)(C)C.CC(C)(C)P(c2cccc2)C(C)(C)C.[Del][Fe][Del]\",\n \"1,2,3,4,5-Pentaphenyl-1'-(di-tert-butylphosphino)ferrocene\": \"CC(C)(C)P(C(C)(C)C)c1cccc1.[Del][Fe][Del].c2(C3=CC=CC=C3)c(C4=CC=CC=C4)c(C5=CC=CC=C5)c(C6=CC=CC=C6)c2C7=CC=CC=C7\",\n \"1,2-Bis(dimethylphosphino)ethane\": \"CP(CCP(C)C)C\",\n \"1,2-Bis(diphenylphosphino)benzene\": \"C1(P(C2=CC=CC=C2)C3=CC=CC=C3)=CC=CC=C1P(C4=CC=CC=C4)C5=CC=CC=C5\",\n \"1,2-Bis(diphenylphosphino)ethane\": \"P(CCP(C1=CC=CC=C1)C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4\",\n \"1,2-Bis[bis(pentafluorophenyl)phosphino]ethane\": \"FC1=C(F)C(F)=C(F)C(F)=C1P(CCP(C2=C(F)C(F)=C(F)C(F)=C2F)C3=C(F)C(F)=C(F)C(F)=C3F)C4=C(F)C(F)=C(F)C(F)=C4F\",\n \"1,3-Bis(2,6-diisopropylphenyl)-1,3,2-diazaphospholidine 2-Oxide\": \"CC(C1=C(N2P(N(C3=C(C(C)C)C=CC=C3C(C)C)CC2)=O)C(C(C)C)=CC=C1)C\",\n \"1,3-Bis(diphenylphosphino)propane\": \"P(CCCP(C1=CC=CC=C1)C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4\",\n \"1,3-Bis[(di-tert-butylphosphino)oxy]benzene\": \"CC(P(OC1=CC(OP(C(C)(C)C)C(C)(C)C)=CC=C1)C(C)(C)C)(C)C\",\n \"1,4-Bis(diphenylphosphino)butane\": \"P(CCCCP(C1=CC=CC=C1)C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4\",\n \"1,5-Bis(diphenylphosphino)pentane\": \"P(CCCCCP(C1=CC=CC=C1)C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4\",\n \"1,6-Bis(diphenylphosphino)hexane\": \"P(CCCCCCP(C1=CC=CC=C1)C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4\",\n \"1,8-Bis(diphenylphosphino)naphthalene\": \"C1(P(C2=CC=CC=C2)C3=CC=CC=C3)=C4C(P(C5=CC=CC=C5)C6=CC=CC=C6)=CC=CC4=CC=C1\",\n \"1-[2-(Di-tert-butylphosphino)phenyl]-3,5-diphenyl-1H-pyrazole\": \"CC(P(C1=CC=CC=C1N2N=C(C3=CC=CC=C3)C=C2C4=CC=CC=C4)C(C)(C)C)(C)C\",\n \"1-Methyl-1-[4-(diphenylphosphino)benzyl]pyrrolidinium Bromide\": \"C[N+]1(CC2=CC=C(P(C3=CC=CC=C3)C4=CC=CC=C4)C=C2)CCCC1.[Br-]\",\n \"2-(Dicyclohexylphosphino)-2'-(dimethylamino)biphenyl\": \"CN(C1=CC=CC=C1C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C\",\n \"2-(Dicyclohexylphosphino)biphenyl\": \"C1(C2=CC=CC=C2)=CC=CC=C1P(C3CCCCC3)C4CCCCC4\",\n \"2-(Diphenylphosphino)benzaldehyde\": \"O=CC1=CC=CC=C1P(C2=CC=CC=C2)C3=CC=CC=C3\",\n \"2-(Diphenylphosphino)benzoic Acid\": \"O=C(O)C1=CC=CC=C1P(C2=CC=CC=C2)C3=CC=CC=C3\",\n \"2-(Diphenylphosphino)benzonitrile\": \"N#CC1=CC=CC=C1P(C2=CC=CC=C2)C3=CC=CC=C3\",\n \"2-(Diphenylphosphino)biphenyl\": \"C1(C2=CC=CC=C2)=CC=CC=C1P(C3=CC=CC=C3)C4=CC=CC=C4\",\n \"2-(Di-tert-butylphosphino)biphenyl\": \"CC(P(C1=CC=CC=C1C2=CC=CC=C2)C(C)(C)C)(C)C\",\n \"2,2'-Bis(diphenylphosphino)biphenyl\": \"C1(C2=CC=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4)=CC=CC=C1P(C5=CC=CC=C5)C6=CC=CC=C6\",\n \"2-Dicyclohexylphosphino-2',4',6'-triisopropylbiphenyl\": \"CC(C1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C(C)C)=CC(C(C)C)=C1)C\",\n \"2-Dicyclohexylphosphino-2',6'-diisopropoxybiphenyl\": \"CC(OC1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(OC(C)C)=CC=C1)C\",\n \"2-Dicyclohexylphosphino-2',6'-dimethoxybiphenyl\": \"COC1=C(C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(OC)=CC=C1\",\n \"2-Di-tert-butylphosphino-2',4',6'-triisopropylbiphenyl\": \"CC(C1=C(C2=CC=CC=C2P(C(C)(C)C)C(C)(C)C)C(C(C)C)=CC(C(C)C)=C1)C\",\n \"3-(Diphenylphosphino)-1-propylamine\": \"NCCCP(C1=CC=CC=C1)C2=CC=CC=C2\",\n \"4-(Dimethylamino)phenyldiphenylphosphine\": \"CN(C1=CC=C(P(C2=CC=CC=C2)C3=CC=CC=C3)C=C1)C\",\n \"4-(Diphenylphosphino)benzoic Acid\": \"O=C(O)C1=CC=C(P(C2=CC=CC=C2)C3=CC=CC=C3)C=C1\",\n \"4,4,5,5-Tetramethyl-1,3,2-dioxaphospholane 2-Oxide\": \"CC1(C)C(C)(C)OP(O1)=O\",\n \"4,5-Bis(diphenylphosphino)-9,9-dimethylxanthene\": \"CC1(C)C2=C(OC3=C1C=CC=C3P(C4=CC=CC=C4)C5=CC=CC=C5)C(P(C6=CC=CC=C6)C7=CC=CC=C7)=CC=C2\",\n \"4,6-Bis(diphenylphosphino)phenoxazine\": \"C(C=CC=C1N2)(P(C3=CC=CC=C3)C4=CC=CC=C4)=C1OC5=C2C=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7\",\n \"Bis(diphenylphosphino)methane\": \"P(CP(C1=CC=CC=C1)C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4\",\n \"Bis(pentafluorophenyl)phenylphosphine\": \"FC1=C(F)C(F)=C(F)C(F)=C1P(C2=C(F)C(F)=C(F)C(F)=C2F)C3=CC=CC=C3\",\n \"Bis[2-(diphenylphosphino)phenyl] Ether\": \"C1(OC2=CC=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4)=CC=CC=C1P(C5=CC=CC=C5)C6=CC=CC=C6\",\n \"Cyclohexyldiphenylphosphine\": \"P(C1=CC=CC=C1)(C2CCCCC2)C3=CC=CC=C3\",\n \"Di-1-adamantylphosphine\": \"C12CC3(PC45CC6CC(C5)CC(C6)C4)CC(C2)CC(C3)C1\",\n \"Dicyclohexyl(2,4,6-triisopropylphenyl)phosphine\": \"CC(C1=C(P(C2CCCCC2)C3CCCCC3)C(C(C)C)=CC(C(C)C)=C1)C\",\n \"Dicyclohexylphenylphosphine\": \"P(C1CCCCC1)(C2CCCCC2)C3=CC=CC=C3\",\n \"Diethylphenylphosphine\": \"CCP(CC)C1=CC=CC=C1\",\n \"Diphenyl-2-pyridylphosphine\": \"P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=NC=CC=C3\",\n \"Diphenylpropylphosphine\": \"CCCP(C1=CC=CC=C1)C2=CC=CC=C2\",\n \"Di-tert-butylphenylphosphine\": \"CC(P(C(C)(C)C)C1=CC=CC=C1)(C)C\",\n \"Ethyldiphenylphosphine\": \"CCP(C1=CC=CC=C1)C2=CC=CC=C2\",\n \"Isopropyldiphenylphosphine\": \"CC(P(C1=CC=CC=C1)C2=CC=CC=C2)C\",\n \"Methoxymethyl(diphenyl)phosphine Oxide\": \"COCP(C1=CC=CC=C1)(C2=CC=CC=C2)=O\",\n \"Methyl(diphenyl)phosphine Oxide\": \"CP(C1=CC=CC=C1)(C2=CC=CC=C2)=O\",\n \"Methyldiphenylphosphine\": \"CP(C1=CC=CC=C1)C2=CC=CC=C2\",\n \"Sodium Diphenylphosphinobenzene-3-sulfonate\": \"O=S(C1=CC(P(C2=CC=CC=C2)C3=CC=CC=C3)=CC=C1)([O-])=O.[Na+]\",\n \"trans-1,2-Bis(diphenylphosphino)ethylene\": \"P(/C=C/P(C1=CC=CC=C1)C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4\",\n \"Tri(2-furyl)phosphine\": \"P(C1=CC=CO1)(C2=CC=CO2)C3=CC=CO3\",\n \"Tri(2-thienyl)phosphine\": \"P(C1=CC=CS1)(C2=CC=CS2)C3=CC=CS3\",\n \"Tri(m-tolyl)phosphine\": \"CC1=CC(P(C2=CC=CC(C)=C2)C3=CC=CC(C)=C3)=CC=C1\",\n \"Tri(o-tolyl)phosphine\": \"CC1=CC=CC=C1P(C2=CC=CC=C2C)C3=CC=CC=C3C\",\n \"Tri(p-tolyl)phosphine\": \"CC1=CC=C(P(C2=CC=C(C)C=C2)C3=CC=C(C)C=C3)C=C1\",\n \"Tributylphosphine Oxide\": \"CCCCP(CCCC)(CCCC)=O\",\n \"Tricyclohexylphosphine\": \"P(C1CCCCC1)(C2CCCCC2)C3CCCCC3\",\n \"Tricyclohexylphosphonium Tetrafluoroborate\": \"F[B-](F)(F)F.[PH+](C1CCCCC1)(C2CCCCC2)C3CCCCC3\",\n \"Trihexylphosphine\": \"CCCCCCP(CCCCCC)CCCCCC\",\n \"Trimethylphosphine\": \"CP(C)C\",\n \"Tri-n-octylphosphine\": \"CCCCCCCCP(CCCCCCCC)CCCCCCCC\",\n \"Tri-n-octylphosphine Oxide\": \"CCCCCCCCP(CCCCCCCC)(CCCCCCCC)=O\",\n \"Triphenyl Phosphite\": \"P(OC1=CC=CC=C1)(OC2=CC=CC=C2)OC3=CC=CC=C3\",\n \"Triphenylphosphine\": \"P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3\",\n \"Triphenylphosphine Oxide\": \"O=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3\",\n \"Tris(2,4-di-tert-butylphenyl) Phosphite\": \"CC(C1=CC=C(OP(OC2=CC=C(C(C)(C)C)C=C2C(C)(C)C)OC3=CC=C(C(C)(C)C)C=C3C(C)(C)C)C(C(C)(C)C)=C1)(C)C\",\n \"Tris(2,6-dimethoxyphenyl)phosphine\": \"COC1=C(P(C2=C(OC)C=CC=C2OC)C3=C(OC)C=CC=C3OC)C(OC)=CC=C1\",\n \"Tris(2-carboxyethyl)phosphine Hydrochloride\": \"O=C(CCP(CCC(O)=O)CCC(O)=O)O.[H]Cl\",\n \"Tris(2-methoxyphenyl)phosphine\": \"COC1=CC=CC=C1P(C2=CC=CC=C2OC)C3=CC=CC=C3OC\",\n \"Tris(4-fluorophenyl)phosphine\": \"FC1=CC=C(P(C2=CC=C(F)C=C2)C3=CC=C(F)C=C3)C=C1\",\n \"Tris(4-methoxyphenyl)phosphine\": \"COC1=CC=C(P(C2=CC=C(OC)C=C2)C3=CC=C(OC)C=C3)C=C1\",\n \"Tris(pentafluorophenyl)phosphine\": \"FC1=C(F)C(F)=C(F)C(F)=C1P(C2=C(F)C(F)=C(F)C(F)=C2F)C3=C(F)C(F)=C(F)C(F)=C3F\",\n \"Tris[3,5-bis(trifluoromethyl)phenyl]phosphine\": \"FC(C1=CC(C(F)(F)F)=CC(P(C2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)C3=CC(C(F)(F)F)=CC(C(F)(F)F)=C3)=C1)(F)F\",\n \"1-(2-Mesitylene)-1,3-butanedione\": \"CC(CC(C1=C(C)C=C(C)C=C1C)=O)=O\",\n \"1-(4-Bromophenyl)-1,3-butanedione\": \"CC(CC(C1=CC=C(Br)C=C1)=O)=O\",\n \"1-(4-Chlorophenyl)-4,4,4-trifluoro-1,3-butanedione\": \"O=C(C1=CC=C(Cl)C=C1)CC(C(F)(F)F)=O\",\n \"1-(4-Fluorophenyl)-1,3-butanedione\": \"CC(CC(C1=CC=C(F)C=C1)=O)=O\",\n \"1-(4-tert-Butylphenyl)-3-(4-methoxyphenyl)-1,3-propanedione\": \"O=C(C1=CC=C(C(C)(C)C)C=C1)CC(C2=CC=C(OC)C=C2)=O\",\n \"1,1,5,5-Tetrafluoro-2,4-pentanedione\": \"O=C(CC(C(F)F)=O)C(F)F\",\n \"1,3-Bis(4-methoxyphenyl)-1,3-propanedione\": \"O=C(C1=CC=C(OC)C=C1)CC(C2=CC=C(OC)C=C2)=O\",\n \"1,3-Di(2-pyridyl)-1,3-propanedione\": \"O=C(C1=NC=CC=C1)CC(C2=NC=CC=C2)=O\",\n \"1,3-Diphenyl-1,3-propanedione\": \"O=C(C1=CC=CC=C1)CC(C2=CC=CC=C2)=O\",\n \"1-Phenyl-1,3-butanedione\": \"CC(CC(C1=CC=CC=C1)=O)=O\",\n \"2,2-Dimethyl-6,6,7,7,8,8,8-heptafluoro-3,5-octanedione\": \"CC(C)(C)C(CC(C(F)(F)C(F)(F)C(F)(F)F)=O)=O\",\n \"2,6-Dimethyl-3,5-heptanedione\": \"CC(C)C(CC(C(C)C)=O)=O\",\n \"2-Acetylcyclohexanone\": \"O=C1C(C(C)=O)CCCC1\",\n \"2-Acetylcyclopentanone\": \"O=C1C(C(C)=O)CCC1\",\n \"2-Furoyltrifluoroacetone\": \"O=C(CC(C1=CC=CO1)=O)C(F)(F)F\",\n \"3,4-Diacetyl-2,5-hexanedione\": \"CC(C(C(C)=O)C(C(C)=O)C(C)=O)=O\",\n \"3,5-Heptanedione\": \"CCC(CC(CC)=O)=O\",\n \"3-Chloroacetylacetone\": \"CC(C(Cl)C(C)=O)=O\",\n \"3-Ethyl-2,4-pentanedione\": \"CC(C(CC)C(C)=O)=O\",\n \"3-Methyl-2,4-pentanedione\": \"CC(C(C)C(C)=O)=O\",\n \"3-Phenyl-2,4-pentanedione\": \"CC(C(C1=CC=CC=C1)C(C)=O)=O\",\n \"4,4,4-Trifluoro-1-(2-naphthyl)-1,3-butanedione\": \"O=C(C1=CC=C2C=CC=CC2=C1)CC(C(F)(F)F)=O\",\n \"4,4,4-Trifluoro-1-(2-thienyl)-1,3-butanedione\": \"O=C(C1=CC=CS1)CC(C(F)(F)F)=O\",\n \"4,4,4-Trifluoro-1-(4-methoxyphenyl)-1,3-butanedione\": \"O=C(C1=CC=C(OC)C=C1)CC(C(F)(F)F)=O\",\n \"4,4,4-Trifluoro-1-(p-tolyl)-1,3-butanedione\": \"O=C(C1=CC=C(C)C=C1)CC(C(F)(F)F)=O\",\n \"4,4,4-Trifluoro-1-phenyl-1,3-butanedione\": \"O=C(C1=CC=CC=C1)CC(C(F)(F)F)=O\",\n \"6-Methyl-2,4-heptanedione\": \"CC(CC(CC(C)C)=O)=O\",\n \"9H,9H-Triacontafluoro-8,10-heptadecanedione\": \"O=C(CC(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F\",\n \"Acetylacetone\": \"CC(CC(C)=O)=O\",\n \"Dehydroacetic Acid\": \"CC(C(C(C=C(O1)C)=O)C1=O)=O\",\n \"Dipivaloylmethane\": \"CC(C)(C)C(CC(C(C)(C)C)=O)=O\",\n \"Hexafluoroacetylacetone\": \"O=C(C(F)(F)C(CF)=O)C(F)(F)F\",\n \"Trifluoroacetylacetone\": \"O=C(CC(C)=O)C(F)(F)F\",\n \"1,2,3,4,5-Pentamethylcyclopentadiene\": \"CC1C(C)=C(C)C(C)=C1C\",\n \"1,2,3,4,5-Pentaphenyl-1,3-cyclopentadiene\": \"C1(C2=CC=CC=C2)=C(C3=CC=CC=C3)C(C4=CC=CC=C4)=C(C5=CC=CC=C5)C1C6=CC=CC=C6\",\n \"1,2,3,4-Tetraphenyl-1,3-cyclopentadiene\": \"C1(C2=CC=CC=C2)=C(C3=CC=CC=C3)C(C4=CC=CC=C4)=C(C5=CC=CC=C5)C1\",\n \"1,2-Bis(3-indenyl)ethane\": \"C1(CCC2=CCC3=C2C=CC=C3)=CCC4=C1C=CC=C4\",\n \"1,3,5,7-Cyclooctatetraene (stabilized with HQ)\": \"C1=C\\\\C=C/C=C\\\\C=C/1\",\n \"1,3,5-Cycloheptatriene\": \"C1=CC=CC=CC1\",\n \"1,3,5-Trimethylbenzene\": \"CC1=CC(C)=CC(C)=C1\",\n \"1,4-Cyclohexadiene (stabilized with BHT)\": \"C1=CCC=CC1\",\n \"1,5-Cyclooctadiene [stabilized with Octadecyl 3-(3',5'-Di-tert-butyl-4'-hydroxyphenyl)propionate]\": \"C1=C\\\\CC/C=C\\\\CC/1\",\n \"1,5-Hexadiene\": \"C=CCCC=C\",\n \"1H-Cyclopenta[l]phenanthrene\": \"C12=CC=CC=C1C(CC=C3)=C3C4=C2C=CC=C4\",\n \"2,5-Norbornadiene (stabilized with BHT)\": \"C12C=CC(C2)C=C1\",\n \"2-Methylbenzo[e]indene (mixture of 1H- and 3H-form)\": \"N/A\",\n \"2-Methylcyclopenta[l]phenanthrene\": \"CC1=CC2=C3CC=CC=C3C4=C(C2=C1)C=CC=C4\",\n \"2-Norbornene\": \"C12C=CC(C2)CC1\",\n \"Acenaphthylene\": \"C12=CC=CC3=C1C(C=C2)=CC=C3\",\n \"Cyclooctene\": \"C1=C\\\\CCCCCC/1\",\n \"Dibenzo[a,e]cyclooctene\": \"C12=CC=CC=C1/C=C\\\\C3=CC=CC=C3/C=C\\\\2\",\n \"Dicyclopentadiene (stabilized with BHT) [precursor to Cyclopentadiene]\": \"C12C=CCC1C3C=CC2C3\",\n \"Hexamethylbenzene\": \"CC1=C(C)C(C)=C(C)C(C)=C1C\",\n \"Indan\": \"C12=C(CCC2)C=CC=C1\",\n \"Indene\": \"C12=C(CC=C2)C=CC=C1\",\n \"p-Cymene\": \"CC1=CC=C(C(C)C)C=C1\",\n \"Tetraphenylcyclopentadienone\": \"O=C1C(C2=CC=CC=C2)=C(C3=CC=CC=C3)C(C4=CC=CC=C4)=C1C5=CC=CC=C5\",\n \"trans,trans-1,5-Bis(4-fluorophenyl)-1,4-pentadien-3-one\": \"O=C(/C=C/C1=CC=C(F)C=C1)/C=C/C2=CC=C(F)C=C2\",\n \"trans,trans-1,5-Bis(4-methoxyphenyl)-1,4-pentadien-3-one\": \"O=C(/C=C/C1=CC=C(OC)C=C1)/C=C/C2=CC=C(OC)C=C2\",\n \"trans,trans-1,5-Bis[4-(trifluoromethyl)phenyl]-1,4-pentadien-3-one\": \"O=C(/C=C/C1=CC=C(C(F)(F)F)C=C1)/C=C/C2=CC=C(C(F)(F)F)C=C2\",\n \"trans,trans-1,5-Diphenyl-1,4-pentadien-3-one\": \"O=C(/C=C/C1=CC=CC=C1)/C=C/C2=CC=CC=C2\",\n}","export const chiralAuxiliaries = {\n \"(-)-10,2-Camphorsultam\": \"CC1(C)C2(C3)CCC1CC2NS3(=O)=O\",\n \"(-)-2,2'-Methylenebis[(3aS,8aR)-3a,8a-dihydro-8H-indeno[1,2-d]oxazole]\": \"[H][C@@]12N=C(CC3=N[C@]4([H])[C@](CC5=C4C=CC=C5)([H])O3)O[C@]1([H])CC6=C2C=CC=C6\",\n \"(-)-4,5-Bis[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolane\": \"CC1(C)OC(C(C2=CC=CC=C2)(O)C3=CC=CC=C3)C(C(C4=CC=CC=C4)(O)C5=CC=CC=C5)O1\",\n \"(-)-B-Chlorodiisopinocampheylborane\": \"CC1(C)C2CC(B(Cl)C3CC4CC(C3C)C4(C)C)C(C)C1C2\",\n \"(-)-Isopinocampheylborane TMEDA Complex\": \"B[C@H]1[C@H](C)C2C(C(C1)C2)(C)C.B[C@H]3[C@H](C)C4C(C(C3)C4)(C)C.CN(C)CCN(C)C\",\n \"(-)-Sparteine\": \"[H][C@]12CCCCN1C[C@H]3[C@]4([H])CCCCN4C[C@@H]2C3\",\n \"(+)-10,2-Camphorsultam\": \"CC1(C)C2(C3)CCC1CC2NS3(=O)=O\",\n \"(+)-2,2'-Methylenebis[(3aR,8aS)-3a,8a-dihydro-8H-indeno[1,2-d]oxazole]\": \"[H][C@]12N=C(CC3=N[C@@]4([H])[C@@](CC5=C4C=CC=C5)([H])O3)O[C@@]1([H])CC6=C2C=CC=C6\",\n \"(+)-4,5-Bis[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolane\": \"CC1(C)OC(C(C2=CC=CC=C2)(O)C3=CC=CC=C3)C(C(C4=CC=CC=C4)(O)C5=CC=CC=C5)O1\",\n \"(+)-B-Chlorodiisopinocampheylborane\": \"CN(C)CCN(C)C.CC1(C)C2CC(BC3CC4CC(C3C)C4(C)C)C(C)C1C2\",\n \"(+)-Sparteine\": \"[H][C@]12CCCCN1C[C@H]3[C@]4([H])CCCCN4C[C@@H]2C3\",\n \"(11bS)-2,6-Bis[bis[3,5-bis(trifluoromethyl)phenyl]hydroxymethyl]-3,5-dihydrospiro[4H-dinaphth[2,1-c:1',2'-e]azepine-4,4'-morpholinium] Bromide\": \"OC(C1=C2C(C3=C4C=CC=CC4=CC(C(C5=CC(C(F)(F)F)=CC(C(F)(F)F)=C5)(C6=CC(C(F)(F)F)=CC(C(F)(F)F)=C6)O)=C3C(Br)[N]7(CCOCC7)C2)=C8C=CC=CC8=C1)(C9=CC(C(F)(F)F)=CC(C(F)(F)F)=C9)C%10=CC(C(F)(F)F)=CC(C(F)(F)F)=C%10\",\n \"(11R,12R)-9,10-Dihydro-9,10-ethanoanthracene-11,12-diamine\": \"N[C@H]1[C@H](N)C2C3=C(C=CC=C3)C1C4=CC=CC=C24\",\n \"(11S,12S)-9,10-Dihydro-9,10-ethanoanthracene-11,12-diamine\": \"N[C@@H]1[C@@H](N)C2C3=C(C=CC=C3)C1C4=CC=CC=C24\",\n \"(1R,2R)-1,2-Bis(2-hydroxyphenyl)ethylenediamine\": \"N[C@H](C1=CC=CC=C1O)[C@@H](C2=CC=CC=C2O)N\",\n \"(1R,2R)-N,N'-Bis(2-acetyl-3-oxo-2-butenylidene)-1,2-dimesitylethylenediaminato Cobalt(II)\": \"CC1=C(C(C)=CC(C)=C1)[C@@H](/N=C/C=C(C(C)=O)\\\\C[O-])[C@@H](C2=C(C)C=C(C)C=C2C)/N=C/C=C(C(C)=O)\\\\C[O-].[Co+2]\",\n \"(1R,2R)-N,N'-Bis[3-oxo-2-(2,4,6-trimethylbenzoyl)butylidene]-1,2-diphenylethylenediaminato Cobalt(II)\": \"[O-]/C(C)=C(C(C1=C(C)C=C(C)C=C1C)=O)\\\\C=N\\\\[C@@H]([C@@H](C2=CC=CC=C2)/N=C/C(C(C3=C(C)C=C(C)C=C3C)=O)=C(C)\\\\[O-])C4=CC=CC=C4.[Co+2]\",\n \"(1R,2R)-N,N'-Dihydroxy-N,N'-bis(diphenylacetyl)cyclohexane-1,2-diamine\": \"O=C(N(O)[C@H]1[C@H](N(O)C(C(C2=CC=CC=C2)C3=CC=CC=C3)=O)CCCC1)C(C4=CC=CC=C4)C5=CC=CC=C5\",\n \"(1R,2S)-2-[N-Benzyl-N-(mesitylenesulfonyl)amino]-1-phenyl-1-propanol\": \"C[C@H](N(CC1=CC=CC=C1)S(=O)(C(C(C)=CC(C)=C2)=C2C)=O)[C@@H](C3=CC=CC=C3)O\",\n \"(1R,2S)-2-[N-Benzyl-N-(mesitylenesulfonyl)amino]-1-phenylpropyl Propionate [Reagent for anti-selective asymmetric aldol reaction]\": \"CCC(O[C@H](C1=CC=CC=C1)[C@@H](N(CC2=CC=CC=C2)S(=O)(C(C(C)=CC(C)=C3)=C3C)=O)C)=O\",\n \"(1R,3S,5R,7R,8aS)-7-Ethylhexahydro-1-(6-hydroxy-4-quinolinyl)-3,7-methano-1H-pyrrolo[2,1-c][1,4]oxazine\": \"OC1=CC=C2N=CC=C([C@H]3O[C@](C4)([H])C[N@@]5[C@@]3([H])C[C@@]4(CC)C5)C2=C1\",\n \"(1R,4R,5R)-4,7,7-Trimethyl-6-thiabicyclo[3.2.1]octane\": \"CC1(C)S[C@@]2([H])[C@H](C)CC[C@]1([H])C2\",\n \"(1S)-3-(1,10-Phenanthrolin-2-yl)-2'-phenyl-[1,1'-binaphthalen]-2-ol\": \"OC1=C(C2=NC3=C4N=CC=CC4=CC=C3C=C2)C=C5C=CC=CC5=C1C6=C7C=CC=CC7=CC=C6C8=CC=CC=C8\",\n \"(1S,2R)-2-[N-Benzyl-N-(mesitylenesulfonyl)amino]-1-phenyl-1-propanol\": \"C[C@@H](N(CC1=CC=CC=C1)S(=O)(C(C(C)=CC(C)=C2)=C2C)=O)[C@H](C3=CC=CC=C3)O\",\n \"(1S,2R)-2-[N-Benzyl-N-(mesitylenesulfonyl)amino]-1-phenylpropyl Propionate\": \"CCC(O[C@@H](C1=CC=CC=C1)[C@H](N(CC2=CC=CC=C2)S(=O)(C(C(C)=CC(C)=C3)=C3C)=O)C)=O\",\n \"(1S,2S)-N,N'-Bis(2-acetyl-3-oxo-2-butenylidene)-1,2-dimesitylethylenediaminato Cobalt(II)\": \"CC1=C(C(C)=CC(C)=C1)[C@H](/N=C/C=C(C(C)=O)\\\\C[O-])[C@H](C2=C(C)C=C(C)C=C2C)/N=C/C=C(C(C)=O)\\\\C[O-].[Co+2]\",\n \"(1S,2S)-N,N'-Bis[(R)-2-hydroxy-2'-phenyl-1,1'-binaphthyl-3-ylmethylene]-1,2-diphenylethylenediaminato Manganese(III) Acetate\": \"CC([O-])=O.OC1=C(C([Mn+]2)=N[C@@H](C3=CC=CC=C3)[C@H](C4=CC=CC=C4)N=C2C5=C(O)C(C6=C7C=CC=CC7=CC=C6C8=CC=CC=C8)=C9C=CC=CC9=C5)C=C%10C=CC=CC%10=C1C%11=C%12C=CC=CC%12=CC=C%11C%13=CC=CC=C%13\",\n \"(1S,2S)-N,N'-Bis[3-oxo-2-(2,4,6-trimethylbenzoyl)butylidene]-1,2-diphenylethylenediaminato Cobalt(II)\": \"[O-]/C(C)=C(C(C1=C(C)C=C(C)C=C1C)=O)\\\\C=N\\\\[C@H]([C@H](C2=CC=CC=C2)/N=C/C(C(C3=C(C)C=C(C)C=C3C)=O)=C(C)\\\\[O-])C4=CC=CC=C4.[Co+2]\",\n \"(1S,2S)-N,N'-Dihydroxy-N,N'-bis(diphenylacetyl)cyclohexane-1,2-diamine\": \"O=C(N(O)[C@@H]1[C@@H](N(O)C(C(C2=CC=CC=C2)C3=CC=CC=C3)=O)CCCC1)C(C4=CC=CC=C4)C5=CC=CC=C5\",\n \"(1S,4S,5S)-4,7,7-Trimethyl-6-thiabicyclo[3.2.1]octane\": \"CC1(C)S[C@]2([H])[C@@H](C)CC[C@@]1([H])C2\",\n \"(2R,3R)-(-)-1,4-Bis(diphenylphosphino)-2,3-O-isopropylidene-2,3-butanediol\": \"CC1(O[C@H]([C@@H](O1)CP(C2=CC=CC=C2)C3=CC=CC=C3)CP(C4=CC=CC=C4)C5=CC=CC=C5)C\",\n \"(2R,3R)-(-)-2,3-Bis(diphenylphosphino)bicyclo[2.2.1]hept-5-ene\": \"C1(C2)[C@@H](P(C3=CC=CC=C3)C4=CC=CC=C4)[C@H](P(C5=CC=CC=C5)C6=CC=CC=C6)C2C=C1\",\n \"(2R,8aS)-(+)-(Camphorylsulfonyl)oxaziridine\": \"O=S(N1OC1)(CC23C(CC(C(C)3C)CC2)=O)=O\",\n \"(2S)-N-[(1S)-1-(Hydroxydiphenylmethyl)-3-methylbutyl]-2-pyrrolidinecarboxamide\": \"O=C([C@H]1NCCC1)N[C@H](C(C2=CC=CC=C2)(O)C3=CC=CC=C3)CC(C)C\",\n \"(2S,3S)-(-)-Bis(diphenylphosphino)butane\": \"C[C@H](P(C1=CC=CC=C1)C2=CC=CC=C2)[C@@H](P(C3=CC=CC=C3)C4=CC=CC=C4)C\",\n \"(2S,3S)-(+)-1,4-Bis(diphenylphosphino)-2,3-O-isopropylidene-2,3-butanediol\": \"CC1(O[C@@H]([C@H](O1)CP(C2=CC=CC=C2)C3=CC=CC=C3)CP(C4=CC=CC=C4)C5=CC=CC=C5)C\",\n \"(2S,5S)-(-)-2-tert-Butyl-3-methyl-5-benzyl-4-imidazolidinone\": \"O=C1N(C)[C@@H](C(C)(C)C)N[C@H]1CC2=CC=CC=C2\",\n \"(2S,8aR)-(-)-(Camphorylsulfonyl)oxaziridine\": \"O=S(N1OC1)(CC23C(CC(C(C)3C)CC2)=O)=O\",\n \"(4R)-(+)-4-Isopropyl-5,5-diphenyl-2-oxazolidinone\": \"O=C1OC(C2=CC=CC=C2)(C3=CC=CC=C3)[C@@H](C(C)C)N1\",\n \"(4R,5R)-1,3-Dimethyl-4,5-diphenyl-2-[(S)-1-benzyl-2-hydroxyethylimino]imidazolidine\": \"OC[C@H](CC1=CC=CC=C1)N=C2N(C)[C@H](C3=CC=CC=C3)[C@@H](C4=CC=CC=C4)N2C\",\n \"(4S)-(-)-4-Isopropyl-5,5-diphenyl-2-oxazolidinone\": \"O=C1OC(C2=CC=CC=C2)(C3=CC=CC=C3)[C@H](C(C)C)N1\",\n \"(4S,5S)-1,3-Dimethyl-4,5-diphenyl-2-[(R)-1-benzyl-2-hydroxyethylimino]imidazolidine\": \"OC[C@@H](CC1=CC=CC=C1)N=C2N(C)[C@@H](C3=CC=CC=C3)[C@H](C4=CC=CC=C4)N2C\",\n \"(R)-(-)-(3,5-Dioxa-4-phosphacyclohepta[2,1-a;3,4-a']dinaphthalen-4-yl)dimethylamine\": \"CN(P1OC2=CC=C3C=CC=CC3=C2C4=C5C=CC=CC5=CC=C4O1)C\",\n \"(R)-(-)-1-(2-Pyrrolidinylmethyl)pyrrolidine\": \"N1(C[C@@H]2NCCC2)CCCC1\",\n \"(R)-(-)-1,1'-Binaphthyl-2,2'-diyl Bis(trifluoromethanesulfonate)\": \"O=S(C(F)(F)F)(OC1=CC=C2C=CC=CC2=C1C3=C4C=CC=CC4=CC=C3OS(C(F)(F)F)(=O)=O)=O\",\n \"(R)-(-)-1,1'-Binaphthyl-2,2'-diyl Hydrogen Phosphate\": \"O=P1(OC2=CC=C3C=CC=CC3=C2C4=C5C=CC=CC5=CC=C4O1)O\",\n \"(R)-(-)-2-[Hydroxy(diphenyl)methyl]-1-methylpyrrolidine\": \"CN1[C@@H](C(C2=CC=CC=C2)(O)C3=CC=CC=C3)CCC1\",\n \"(R)-(-)-4-Benzyl-3-propionyl-2-oxazolidinone\": \"O=C1OC[C@@H](CC2=CC=CC=C2)N1C(CC)=O\",\n \"(R)-(-)-4-Isopropyl-3-propionyl-2-oxazolidinone\": \"O=C1OC[C@@H](C(C)C)N1C(CC)=O\",\n \"(R)-(-)-4-Phenyl-2-oxazolidinone\": \"O=C1OC[C@@H](C2=CC=CC=C2)N1\",\n \"(R)-(-)-6,6'-Dibromo-1,1'-bi-2-naphthol\": \"OC1=CC=C2C=C(Br)C=CC2=C1C3=C4C=CC(Br)=CC4=CC=C3O\",\n \"(R)-(-)-p-Toluenesulfinamide\": \"CC1=CC=C([S@](N)=O)C=C1\",\n \"(R)-(+)-1,1'-Bi-2-naphthol\": \"OC1=CC=C2C=CC=CC2=C1C3=C4C=CC=CC4=CC=C3O\",\n \"(R)-(+)-1,1'-Binaphthyl-2,2'-diamine\": \"NC1=CC=C2C=CC=CC2=C1C3=C4C=CC=CC4=CC=C3N\",\n \"(R)-(+)-2-Amino-2'-hydroxy-1,1'-binaphthyl\": \"OC1=CC=C2C=CC=CC2=C1C3=C4C=CC=CC4=CC=C3N\",\n \"(R)-(+)-2-Diphenylphosphino-2'-methoxy-1,1'-binaphthyl\": \"COC1=CC=C2C=CC=CC2=C1C3=C4C=CC=CC4=CC=C3P(C5=CC=CC=C5)C6=CC=CC=C6\",\n \"(R)-(+)-3,3'-Dibromo-5,5',6,6',7,7',8,8'-octahydro-1,1'-bi-2-naphthol\": \"OC1=C(Br)C=C2CCCCC2=C1C3=C4CCCCC4=CC(Br)=C3O\",\n \"(R)-(+)-5,5',6,6',7,7',8,8'-Octahydro-1,1'-bi-2-naphthol\": \"OC1=CC=C2CCCCC2=C1C3=C4CCCCC4=CC=C3O\",\n \"(R)-(+)-BINAP\": \"P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=C(C(C=CC=C4)=C4C=C3)C(C(C=CC=C5)=C5C=C6)=C6P(C7=CC=CC=C7)C8=CC=CC=C8\",\n \"(R)-(+)-Indoline-2-carboxylic Acid\": \"O=C([C@@H]1NC2=C(C=CC=C2)C1)O\",\n \"(R)-(+)-N,N-Dimethyl-1-ferrocenylethylamine\": \"C[C@H]([C]1[CH][CH][CH][CH]1)N(C)C.[Fe].[CH]2[CH][CH][CH][CH]2\",\n \"(R)-(+)-tert-Butylsulfinamide\": \"CC(C)([S@](N)=O)C\",\n \"(R)-(+)-α,α-Diphenyl-2-pyrrolidinemethanol\": \"OC(C1=CC=CC=C1)(C2=CC=CC=C2)[C@@H]3NCCC3\",\n \"(R)-(+)-α,α-Diphenyl-2-pyrrolidinemethanol Trimethylsilyl Ether\": \"C[Si](OC(C1=CC=CC=C1)(C2=CC=CC=C2)[C@@H]3NCCC3)(C)C\",\n \"(R)-2-(Methoxymethyl)pyrrolidine\": \"COC[C@@H]1NCCC1\",\n \"(R)-2,2'-Dimethoxy-1,1'-binaphthyl\": \"COC1=CC=C2C=CC=CC2=C1C3=C4C=CC=CC4=CC=C3OC\",\n \"(R)-3,3'-Bis[[[(1R,2R)-2-(isoindolin-2-yl)-1,2-diphenylethyl]imino]methyl]-1,1'-bi-2-naphthol\": \"OC1=C(/C=N/[C@H](C2=CC=CC=C2)[C@H](N3CC4=C(C=CC=C4)C3)C5=CC=CC=C5)C=C6C=CC=CC6=C1C7=C8C=CC=CC8=CC(/C=N/[C@H](C9=CC=CC=C9)[C@H](N%10CC%11=C(C=CC=C%11)C%10)C%12=CC=CC=C%12)=C7O\",\n \"(R)-3,3'-Dibromo-1,1'-bi-2-naphthol\": \"OC1=C(Br)C=C2C=CC=CC2=C1C3=C4C=CC=CC4=CC(Br)=C3O\",\n \"(R)-3,3'-Dibromo-2,2'-dimethoxy-1,1'-binaphthyl\": \"COC1=C(Br)C=C2C=CC=CC2=C1C3=C4C=CC=CC4=CC(Br)=C3OC\",\n \"(R)-4-Benzyl-2-oxazolidinone\": \"O=C1OC[C@@H](CC2=CC=CC=C2)N1\",\n \"(R)-4-Isopropyl-2-oxazolidinone\": \"O=C1OC[C@@H](C(C)C)N1\",\n \"(R)-4-Phenylthiazolidine-2-thione\": \"S=C1SC[C@@H](C2=CC=CC=C2)N1\",\n \"(R)-5,5-Diphenyl-2-methyl-3,4-propano-1,3,2-oxazaborolidine\": \"CB1OC(C2=CC=CC=C2)(C3=CC=CC=C3)[C@]4([H])N1CCC4\",\n \"(R)-N-(2-Benzoylphenyl)-1-benzylpyrrolidine-2-carboxamide\": \"O=C([C@@H]1N(CC2=CC=CC=C2)CCC1)NC3=CC=CC=C3C(C4=CC=CC=C4)=O\",\n \"(R)-N,N-Dimethyl-1-[(S)-1',2-bis(diphenylphosphino)ferrocenyl]ethylamine\": \"C[C@@H](N(C)C)c1c(P(C2=CC=CC=C2)C3=CC=CC=C3)ccc1.[Del][Fe][Del].c4(P(C5=CC=CC=C5)C6=CC=CC=C6)cccc4\",\n \"(R)-N,N-Dimethyl-1-[(S)-2-(diphenylphosphino)ferrocenyl]ethylamine\": \"CN(C)[C@H](c1cccc1)CP(C2=CC=CC=C2)C3=CC=CC=C3.[Del][Fe][Del].c4cccc4\",\n \"(R,R)-(-)-2,3-Bis(tert-butylmethylphosphino)quinoxaline\": \"C[P@@](C1=NC2=CC=CC=C2N=C1[P@@](C(C)(C)C)C)C(C)(C)C\",\n \"(R,R)-(-)-N,N'-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediamine\": \"OC1=C(C(C)(C)C)C=C(C(C)(C)C)C=C1/C=N/[C@H]2[C@H](/N=C/C3=CC(C(C)(C)C)=CC(C(C)(C)C)=C3O)CCCC2\",\n \"(R,R)-(-)-N,N'-Bis(3,5-di-tert-butylsalicylidene)-1,2-cyclohexanediaminomanganese(III) Chloride\": \"OC1=C(C(C)(C)C)C=C(C(C)(C)C)C=C1/C=[N]([Mn+]/[N]2=C\\\\C3=CC(C(C)(C)C)=CC(C(C)(C)C)=C3O)\\\\[C@@]4([H])[C@@]2([H])CCCC4.[Cl-]\",\n \"(R,R)-1,2-Bis[(2-methoxyphenyl)phenylphosphino]ethane\": \"COC1=CC=CC=C1[P@](CC[P@@](C2=CC=CC=C2OC)C3=CC=CC=C3)C4=CC=CC=C4\",\n \"(R,R'')-2,2''-Bis(diphenylphosphino)-1,1''-biferrocene\": \"[Del][Fe][Del].[Del][Fe][Del].P(C1=CC=CC=C1)(c2cccc2c3cccc3P(C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6.c7cccc7.c8cccc8\",\n \"(R,R)-2,2'-Isopropylidenebis(4-phenyl-2-oxazoline)\": \"CC(C1=N[C@H](C2=CC=CC=C2)CO1)(C3=N[C@H](C4=CC=CC=C4)CO3)C\",\n \"(R,R)-2,6-Bis(4-isopropyl-2-oxazolin-2-yl)pyridine\": \"CC([C@H]1N=C(C2=CC=CC(C3=N[C@H](C(C)C)CO3)=N2)OC1)C\",\n \"(R,R)-2,6-Bis(4-phenyl-2-oxazolin-2-yl)pyridine\": \"C1(C2=N[C@H](C3=CC=CC=C3)CO2)=NC(C4=N[C@H](C5=CC=CC=C5)CO4)=CC=C1\",\n \"(R,R)-2-Iodo-1,3-bis[1-(mesitylcarbamoyl)ethoxy]benzene\": \"C[C@H](C(NC1=C(C)C=C(C)C=C1C)=O)OC2=C(I)C(O[C@@H](C(NC3=C(C)C=C(C)C=C3C)=O)C)=CC=C2\",\n \"(R,R)-N-(2-Amino-1,2-diphenylethyl)-p-toluenesulfonamide\": \"CC1=CC=C(S(=O)(N[C@H](C2=CC=CC=C2)[C@H](N)C3=CC=CC=C3)=O)C=C1\",\n \"(R,R,R)-(3,5-Dioxa-4-phosphacyclohepta[2,1-a:3,4-a']dinaphthalen-4-yl)bis(1-phenylethyl)amine\": \"C[C@@H](N(P1OC2=CC=C3C=CC=CC3=C2C4=C5C=CC=CC5=CC=C4O1)[C@@H](C6=CC=CC=C6)C)C7=CC=CC=C7\",\n \"(S)-(-)-1,1'-Bi-2-naphthol\": \"OC1=CC=C2C=CC=CC2=C1C3=C4C=CC=CC4=CC=C3O\",\n \"(S)-(-)-1,1'-Binaphthyl-2,2'-diamine\": \"NC1=CC=C2C=CC=CC2=C1C3=C4C=CC=CC4=CC=C3N\",\n \"(S)-(-)-2-(Diphenylmethyl)pyrrolidine\": \"[C@H]1(C(C2=CC=CC=C2)C3=CC=CC=C3)NCCC1\",\n \"(S)-(-)-2-Amino-2'-hydroxy-1,1'-binaphthyl\": \"OC1=CC=C2C=CC=CC2=C1C3=C4C=CC=CC4=CC=C3N\",\n \"(S)-(-)-3-(tert-Butoxycarbonyl)-4-formyl-2,2-dimethyl-1,3-oxazolidine\": \"CC1(C)OC[C@@H](C=O)N1C(OC(C)(C)C)=O\",\n \"(S)-(-)-3,3'-Dibromo-5,5',6,6',7,7',8,8'-octahydro-1,1'-bi-2-naphthol\": \"OC1=C(Br)C=C2CCCCC2=C1C3=C4CCCCC4=CC(Br)=C3O\",\n \"(S)-(-)-3-tert-Butoxycarbonyl-4-methoxycarbonyl-2,2-dimethyl-1,3-oxazolidine\": \"CC1(C)OC[C@@H](C(OC)=O)N1C(OC(C)(C)C)=O\",\n \"(S)-(-)-5,5',6,6',7,7',8,8'-Octahydro-1,1'-bi-2-naphthol\": \"OC1=CC=C2CCCCC2=C1C3=C4CCCCC4=CC=C3O\",\n \"(S)-(-)-BINAP\": \"P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=C(C(C=CC=C4)=C4C=C3)C(C(C=CC=C5)=C5C=C6)=C6P(C7=CC=CC=C7)C8=CC=CC=C8\",\n \"(S)-(-)-Indoline-2-carboxylic Acid\": \"O=C([C@H]1NC2=C(C=CC=C2)C1)O\",\n \"(S)-(-)-N,N-Dimethyl-1-ferrocenylethylamine\": \"CN(C)[C@H](c1cccc1)C.[Del][Fe][Del].c2cccc2\",\n \"(S)-(-)-tert-Butylsulfinamide\": \"CC(C)([S@@](N)=O)C\",\n \"(S)-(-)-α,α-Diphenyl-2-pyrrolidinemethanol\": \"OC(C1=CC=CC=C1)(C2=CC=CC=C2)[C@@H]3CCCN3\",\n \"(S)-(-)-α,α-Diphenyl-2-pyrrolidinemethanol Trimethylsilyl Ether\": \"C[Si](OC(C1=CC=CC=C1)(C2=CC=CC=C2)[C@H]3NCCC3)(C)C\",\n \"(S)-(+)-(3,5-Dioxa-4-phosphacyclohepta[2,1-a;3,4-a']dinaphthalen-4-yl)dimethylamine\": \"CN(P1OC2=CC=C3C=CC=CC3=C2C4=C5C=CC=CC5=CC=C4O1)C\",\n \"(S)-(+)-1-(2-Pyrrolidinylmethyl)pyrrolidine\": \"N1(C[C@H]2NCCC2)CCCC1\",\n \"(S)-(+)-1,1'-Binaphthyl-2,2'-diyl Bis(trifluoromethanesulfonate)\": \"O=S(C(F)(F)F)(OC1=CC=C2C=CC=CC2=C1C3=C4C=CC=CC4=CC=C3OS(C(F)(F)F)(=O)=O)=O\",\n \"(S)-(+)-1,1'-Binaphthyl-2,2'-diyl Hydrogen Phosphate\": \"O=P1(OC2=CC=C3C=CC=CC3=C2C4=C5C=CC=CC5=CC=C4O1)O\",\n \"(S)-(+)-2-(Anilinomethyl)pyrrolidine\": \"[C@H]1(CNC2=CC=CC=C2)NCCC1\",\n \"(S)-(+)-2-[Hydroxy(diphenyl)methyl]-1-methylpyrrolidine\": \"CN1[C@H](C(C2=CC=CC=C2)(O)C3=CC=CC=C3)CCC1\",\n \"(S)-(+)-4-Benzyl-3-propionyl-2-oxazolidinone\": \"O=C1OC[C@H](CC2=CC=CC=C2)N1C(CC)=O\",\n \"(S)-(+)-4-Isopropyl-3-propionyl-2-oxazolidinone\": \"O=C1OC[C@H](C(C)C)N1C(CC)=O\",\n \"(S)-(+)-4-Phenyl-2-oxazolidinone\": \"O=C1OC[C@H](C2=CC=CC=C2)N1\",\n \"(S)-(+)-6,6'-Dibromo-1,1'-bi-2-naphthol\": \"OC1=CC=C2C=C(Br)C=CC2=C1C3=C4C=CC(Br)=CC4=CC=C3O\",\n \"(S)-(+)-p-Toluenesulfinamide\": \"CC1=CC=C([S@@](N)=O)C=C1\",\n \"(S)-(4-Isopropyloxazolin-2-yl)ferrocene\": \"CC(C)[C@H]1COC(c2cccc2)=N1.[Del][Fe][Del].c3cccc3\",\n \"(S)-1-(Diphenylphosphino)-2-[(S)-4-isopropyloxazolin-2-yl]ferrocene\": \"CC(C)[C@@H]1N=C(c2c(P(C3=CC=CC=C3)C4=CC=CC=C4)ccc2)OC1.[Del][Fe][Del].c5cccc5\",\n \"(S)-2-(Methoxymethyl)pyrrolidine\": \"COC[C@H]1NCCC1\",\n \"(S)-2,2'-Dimethoxy-1,1'-binaphthyl\": \"COC1=CC=C2C=CC=CC2=C1C3=C4C=CC=CC4=CC=C3OC\",\n \"(S)-2,4-Diphenyl-4,5-dihydrooxazole\": \"C1(C2=CC=CC=C2)=N[C@@H](C3=CC=CC=C3)CO1\",\n \"(S)-3,3'-Dibromo-1,1'-bi-2-naphthol\": \"OC1=C(Br)C=C2C=CC=CC2=C1C3=C4C=CC=CC4=CC(Br)=C3O\",\n \"(S)-3,3'-Dibromo-2,2'-dimethoxy-1,1'-binaphthyl\": \"COC1=C(Br)C=C2C=CC=CC2=C1C3=C4C=CC=CC4=CC(Br)=C3OC\",\n \"(S)-4-(4-Aminobenzyl)-2-oxazolidinone\": \"O=C1OC[C@H](CC2=CC=C(N)C=C2)N1\",\n \"(S)-4-Benzyl-2-oxazolidinone\": \"O=C1OC[C@H](CC2=CC=CC=C2)N1\",\n \"(S)-4-Isopropyl-2-oxazolidinone\": \"O=C1OC[C@H](C(C)C)N1\",\n \"(S)-4-Isopropyl-3-(1-naphthylmethyl)-2,5,5-triphenyl-1,3,2-oxazaborolidine\": \"CC([C@@H]1N(CC2=C3C=CC=CC3=CC=C2)B(C4=CC=CC=C4)OC1(C5=CC=CC=C5)C6=CC=CC=C6)C\",\n \"(S)-4-Isopropylthiazolidine-2-thione\": \"S=C1SC[C@H](C(C)C)N1\",\n \"(S)-4-Phenylthiazolidine-2-thione\": \"S=C1SC[C@H](C2=CC=CC=C2)N1\",\n \"(S)-4-tert-Butyl-2-(2-pyridyl)oxazoline\": \"CC([C@@H]1N=C(C2=NC=CC=C2)OC1)(C)C\",\n \"(S)-5-(Pyrrolidin-2-yl)-1H-tetrazole\": \"C1([C@H]2NCCC2)=NN=NN1\",\n \"(S)-5,5-Diphenyl-2-methyl-3,4-propano-1,3,2-oxazaborolidine\": \"CB1OC(C2=CC=CC=C2)(C3=CC=CC=C3)[C@@]4([H])N1CCC4\",\n \"(S)-N,N-Dimethyl-1-[(R)-1',2-bis(diphenylphosphino)ferrocenyl]ethylamine\": \"C[C@@H](N(C)C)c1c(P(C2=CC=CC=C2)C3=CC=CC=C3)ccc1.[Del][Fe][Del].c4(P(C5=CC=CC=C5)C6=CC=CC=C6)cccc4\",\n \"(S,S)-(-)-2,2'-Isopropylidenebis(4-tert-butyl-2-oxazoline)\": \"CC(C1=N[C@@H](C(C)(C)C)CO1)(C2=N[C@@H](C(C)(C)C)CO2)C\",\n \"(S,S)-(+)-2,3-Bis(tert-butylmethylphosphino)quinoxaline\": \"C[P@](C1=NC2=CC=CC=C2N=C1[P@](C(C)(C)C)C)C(C)(C)C\",\n \"(S,S)-1,2-Bis[(2-methoxyphenyl)phenylphosphino]ethane\": \"COC1=CC=CC=C1[P@@](CC[P@](C2=CC=CC=C2OC)C3=CC=CC=C3)C4=CC=CC=C4\",\n \"(S,S)-1,2-Bis[(tert-butyl)methylphosphino]ethane Bis(borane)\": \"C[P@@](CC[P@@](C(C)(C)C)C)C(C)(C)C.B.B\",\n \"(S,S)-2,2'-Isopropylidenebis(4-phenyl-2-oxazoline)\": \"CC(C1=N[C@@H](C2=CC=CC=C2)CO1)(C3=N[C@@H](C4=CC=CC=C4)CO3)C\",\n \"(S,S)-2,6-Bis(4-isopropyl-2-oxazolin-2-yl)pyridine\": \"CC([C@@H]1N=C(C2=CC=CC(C3=N[C@@H](C(C)C)CO3)=N2)OC1)C\",\n \"(S,S)-2,6-Bis(4-phenyl-2-oxazolin-2-yl)pyridine\": \"C1(C2=N[C@@H](C3=CC=CC=C3)CO2)=NC(C4=N[C@@H](C5=CC=CC=C5)CO4)=CC=C1\",\n \"(S,S)-N-(2-Amino-1,2-diphenylethyl)-p-toluenesulfonamide\": \"CC1=CC=C(S(=O)(N[C@@H](C2=CC=CC=C2)[C@@H](N)C3=CC=CC=C3)=O)C=C1\",\n \"(S,S,S)-(3,5-Dioxa-4-phosphacyclohepta[2,1-a:3,4-a']dinaphthalen-4-yl)bis(1-phenylethyl)amine\": \"C[C@H](N(P1OC2=CC=C3C=CC=CC3=C2C4=C5C=CC=CC5=CC=C4O1)[C@H](C6=CC=CC=C6)C)C7=CC=CC=C7\",\n \"[(R)-2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl]ruthenium(II) Dichloride\": \"C1(C2=C3C=CC=CC3=CC=C2P(C4=CC=CC=C4)C5=CC=CC=C5)=C6C=CC=CC6=CC=C1P(C7=CC=CC=C7)C8=CC=CC=C8.[Ru+2].[Cl-].[Cl-]\",\n \"[(S)-2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl]ruthenium(II) Dichloride\": \"C1(C2=C3C=CC=CC3=CC=C2P(C4=CC=CC=C4)C5=CC=CC=C5)=C6C=CC=CC6=CC=C1P(C7=CC=CC=C7)C8=CC=CC=C8.[Ru+2].[Cl-].[Cl-]\",\n \"2,4-Dibromo-6-[(E)-[[(1R,2R)-2-(isoindolin-2-yl)-1,2-diphenylethyl]imino]methyl]phenol\": \"OC1=C(/C=N/[C@H](C2=CC=CC=C2)[C@H](N3CC4=C(C=CC=C4)C3)C5=CC=CC=C5)C=C(Br)C=C1Br\",\n \"Acetic Acid (1R,2S)-2-[N-Benzyl-N-(mesitylenesulfonyl)amino]-1-phenylpropyl Ester\": \"CC(O[C@H](C1=CC=CC=C1)[C@@H](N(CC2=CC=CC=C2)S(=O)(C(C(C)=CC(C)=C3)=C3C)=O)C)=O\",\n \"Acetic Acid (1S,2R)-2-[N-Benzyl-N-(mesitylenesulfonyl)amino]-1-phenylpropyl Ester\": \"CC(O[C@@H](C1=CC=CC=C1)[C@H](N(CC2=CC=CC=C2)S(=O)(C(C(C)=CC(C)=C3)=C3C)=O)C)=O\",\n \"Bis(acetato)aqua[(S,S)-4,6-bis(4-isopropyl-2-oxazolin-2-yl)-m-xylene]rhodium\": \"CC1=CC(C)=C(C2=N[C@H](CO2)C(C)C)C=C1C3=N[C@@H](C(C)C)CO3.CC([O-])=O.[O-]C(C)=O.[Rh+2].O\",\n \"Bromo[[1,3-bis[(4S,5S)-1-benzoyl-4,5-diphenyl-2-imidazolin-2-yl]benzene]palladium(II)]\": \"O=C(N1[C@@H](C2=CC=CC=C2)[C@H](C3=CC=CC=C3)N=C1C4=CC(C5=N[C@@H](C6=CC=CC=C6)[C@H](C7=CC=CC=C7)N5C(C8=CC=CC=C8)=O)=CC=C4)C9=CC=CC=C9.[Pd+]Br\",\n \"Cinchonidine\": \"O[C@@H]([C@H]1C[C@H]2[C@H](C[N@@]1CC2)C=C)C3=CC=NC4=CC=CC=C34\",\n \"Cinchonine\": \"O[C@H]([C@@H]1C[C@H]2[C@H](C[N@@]1CC2)C=C)C3=CC=NC4=CC=CC=C34\",\n \"Dibenzyl L-Tartrate\": \"O[C@H]([C@H](C(OCC1=CC=CC=C1)=O)O)C(OCC2=CC=CC=C2)=O\",\n \"Diethyl D-(-)-Tartrate\": \"O[C@@H]([C@@H](C(OCC)=O)O)C(OCC)=O\",\n \"Diethyl L-(+)-Tartrate\": \"O[C@H]([C@H](C(OCC)=O)O)C(OCC)=O\",\n \"Diisopropyl D-(-)-Tartrate\": \"O[C@@H]([C@@H](C(OC(C)C)=O)O)C(OC(C)C)=O\",\n \"Diisopropyl L-(+)-Tartrate\": \"O[C@H]([C@H](C(OC(C)C)=O)O)C(OC(C)C)=O\",\n \"Dimethyl D-(-)-Tartrate\": \"O[C@@H]([C@@H](C(OC)=O)O)C(OC)=O\",\n \"Dimethyl L-(+)-Tartrate\": \"O[C@H]([C@H](C(OC)=O)O)C(OC)=O\",\n \"Di-tert-butyl L-(+)-Tartrate\": \"O[C@H]([C@H](C(OC(C)(C)C)=O)O)C(OC(C)(C)C)=O\",\n \"D-Proline\": \"O=C(O)[C@@H]1NCCC1\",\n \"Ethyl (11bR)-4-Amino-2,6-bis(3,5-di-tert-butylphenyl)-4,5-dihydro-3H-cyclohepta[1,2-a:7,6-a']dinaphthalene-4-carboxylate\": \"O=C(C1(N)CC2=C(C3=CC(C(C)(C)C)=CC(C(C)(C)C)=C3)C=C4C=CC=CC4=C2C5=C6C=CC=CC6=CC(C7=CC(C(C)(C)C)=CC(C(C)(C)C)=C7)=C5C1)OCC\",\n \"Hydroquinidine Hydrochloride\": \"O[C@H]([C@@H]1C[C@H]2[C@H](C[N@@]1CC2)CC)C3=CC=NC4=CC=C(OC)C=C34.[H]Cl\",\n \"L-Prolinanilide\": \"O=C(NC1=CC=CC=C1)[C@H]2NCCC2\",\n \"L-Proline\": \"O=C(O)[C@H]1NCCC1\",\n \"L-Thioproline\": \"O=C(O)[C@H]1NCCC1=S\",\n \"N-[(11bS)-4,5-Dihydro-3H-dinaphtho[2,1-c:1',2'-e]azepin-2-yl]trifluoromethanesulfonamide\": \"O=S(C(F)(F)F)(NC1=C2CNCC3=CC=C4C=CC=CC4=C3C2=C5C=CC=CC5=C1)=O\",\n \"N-Benzylcinchonidinium Chloride\": \"O[C@@H]([C@H]1C[C@H]2[C@H](C[N@@]1CC2)C=C)C3=CC=[N+](CC4=CC=CC=C4)C5=CC=CC=C35.[Cl-]\",\n \"N-Benzylcinchoninium Chloride\": \"O[C@H]([C@@H]1C[C@H]2[C@H](C[N@@]1CC2)C=C)C3=CC=[N+](CC4=CC=CC=C4)C5=CC=CC=C35.[Cl-]\",\n \"N-Benzylquinidinium Chloride\": \"O[C@H]([C@@H]1C[C@H]2[C@H](C[N@@]1CC2)C=C)C3=CC=[N+](CC4=CC=CC=C4)C5=CC=C(OC)C=C35.[Cl-]\",\n \"N-Benzylquininium Chloride\": \"O[C@@H]([C@H]1C[C@H]2[C@H](C[N@@]1CC2)C=C)C3=CC=[N+](CC4=CC=CC=C4)C5=CC=C(OC)C=C35.[Cl-]\",\n \"O-TBDPS-D-Thr-N-Boc-L-tert-Leu-Diphenylphosphine\": \"O=C(OC(C)(C)C)N[C@@H](C(C)(C)C)C(N[C@H]([C@@H](O[Si](C1=CC=CC=C1)(C(C)(C)C)C2=CC=CC=C2)C)CP(C3=CC=CC=C3)C4=CC=CC=C4)=O\",\n \"Quinidine\": \"O[C@H]([C@@H]1C[C@H]2[C@H](C[N@@]1CC2)C=C)C3=CC=NC4=CC=C(OC)C=C34\",\n \"Quinine\": \"O[C@@H]([C@H]1C[C@H]2[C@H](C[N@@]1CC2)C=C)C3=CC=NC4=CC=C(OC)C=C34\",\n \"Quinine Hydrochloride Dihydrate\": \"O[C@@H]([C@H]1C[C@H]2[C@H](C[N@@]1CC2)C=C)C3=CC=NC4=CC=C(OC)C=C34.[H]Cl.[H]O[H].[H]O[H]\",\n \"β-Isocupreidine\": \"[H][C@@](C1([H])[H])(C([H])([H])C2([H])[H])[C@@]3(C([H])([H])C([H])([H])[H])O[C@](C4=C(C([H])=C5O[H])C(C([H])=C5[H])=NC([H])=C4[H])([H])[C@]1([H])[N@@]2C3([H])[H]\",\n}","export const couplingReagents = {\n \"(6-Chloro-1H-benzotriazol-1-yloxy)tripyrrolidinophosphonium Hexafluorophosphate\": \"ClC1=CC=C2N=NN(O[P+](N3CCCC3)(N4CCCC4)N5CCCC5)C2=C1.F[P-](F)(F)(F)(F)F\",\n \"(7-Azabenzotriazol-1-yloxy)tris(dimethylamino)phosphonium Hexafluorophosphate\": \"CN([P+](N(C)C)(ON1N=NC2=CC=CN=C21)N(C)C)C.F[P-](F)(F)(F)(F)F\",\n \"1-(2,4,6-Triisopropylbenzenesulfonyl)-1,2,4-triazole\": \"O=S(N1N=CN=C1)(C2=C(C(C)C)C=C(C(C)C)C=C2C(C)C)=O\",\n \"1-(2,4,6-Triisopropylbenzenesulfonyl)imidazole\": \"O=S(N1C=CN=C1)(C2=C(C(C)C)C=C(C(C)C)C=C2C(C)C)=O\",\n \"1-(2-Mesitylenesulfonyl)imidazole\": \"O=S(N1C=CN=C1)(C(C(C)=CC(C)=C2)=C2C)=O\",\n \"1-(3-Dimethylaminopropyl)-3-ethylcarbodiimide\": \"CCN=C=NCCCN(C)C\",\n \"1-(3-Dimethylaminopropyl)-3-ethylcarbodiimide Hydrochloride\": \"CCN=C=NCCCN(C)C.[H]Cl\",\n \"1-(Chloro-1-pyrrolidinylmethylene)pyrrolidinium Hexafluorophosphate\": \"ClC(N1CCCC1)=[N+]2CCCC2.F[P-](F)(F)(F)(F)F\",\n \"1-(Chloro-1-pyrrolidinylmethylene)pyrrolidinium Tetrafluoroborate\": \"ClC(N1CCCC1)=[N+]2CCCC2.F[B-](F)(F)F\",\n \"1-(Cyanomethyl)piperidinium Tetrafluoroborate\": \"N#CC[NH+]1CCCCC1.F[B-](F)(F)F\",\n \"1-(p-Toluenesulfonyl)imidazole\": \"O=S(N1C=CN=C1)(C2=CC=C(C)C=C2)=O\",\n \"1-(Trifluoromethanesulfonyl)-1H-benzotriazole\": \"O=S(N1N=NC2=CC=CC=C21)(C(F)(F)F)=O\",\n \"1-(Trifluoromethanesulfonyl)imidazole\": \"O=S(N1C=CN=C1)(C(F)(F)F)=O\",\n \"1,1'-Carbonyldi(1,2,4-triazole)\": \"O=C(N1N=CN=C1)N2N=CN=C2\",\n \"1,1'-Carbonyldiimidazole\": \"O=C(N1C=CN=C1)N2C=CN=C2\",\n \"1,1'-Oxalyldiimidazole\": \"O=C(N1C=CN=C1)C(N2C=CN=C2)=O\",\n \"1,2,4-Triazole\": \"N1N=CN=C1\",\n \"1-Cyclohexyl-3-(2-morpholinoethyl)carbodiimide Metho-p-toluenesulfonate\": \"C[N+]1(CCN=C=NC2CCCCC2)CCOCC1.O=S(C3=CC=C(C)C=C3)([O-])=O\",\n \"1-Ethoxycarbonyl-2-ethoxy-1,2-dihydroquinoline\": \"CCOC1N(C(OCC)=O)C2=C(C=CC=C2)C=C1\",\n \"1H-Benzotriazol-1-yloxytripyrrolidinophosphonium Hexafluorophosphate\": \"F[P-](F)(F)(F)(F)F.N1([P+](N2CCCC2)(ON3N=NC4=CC=CC=C43)N5CCCC5)CCCC1\",\n \"1H-Benzotriazol-1-yloxytris(dimethylamino)phosphonium Hexafluorophosphate\": \"CN([P+](N(C)C)(ON1N=NC2=CC=CC=C21)N(C)C)C.F[P-](F)(F)(F)(F)F\",\n \"1-Hydroxy-6-(trifluoromethyl)benzotriazole\": \"FC(C1=CC=C2N=NN(O)C2=C1)(F)F\",\n \"2-(5-Norbornene-2,3-dicarboximido)-1,1,3,3-tetramethyluronium Tetrafluoroborate\": \"CN(C)C(N(C)C)=[O+]N(C1=O)C(C2C1C3C=CC2C3)=O.F[B-](F)(F)F\",\n \"2,2'-Carbonylbis(3,5-dioxo-4-methyl-1,2,4-oxadiazolidine)\": \"O=C(N(C(N1C)=O)OC1=O)N(C(N2C)=O)OC2=O\",\n \"2,2'-Dipyridyl Disulfide\": \"C1(SSC2=NC=CC=C2)=NC=CC=C1\",\n \"2,4,5-Trichlorophenol\": \"OC1=CC(Cl)=C(Cl)C=C1Cl\",\n \"2,4,6-Trichlorobenzoyl Chloride\": \"O=C(Cl)C1=C(Cl)C=C(Cl)C=C1Cl\",\n \"2,4,6-Triisopropylbenzenesulfonyl Chloride\": \"O=S(C1=C(C(C)C)C=C(C(C)C)C=C1C(C)C)(Cl)=O\",\n \"2,4-Mesitylenedisulfonyl Dichloride\": \"CC1=C(S(=O)(Cl)=O)C(C)=CC(C)=C1S(=O)(Cl)=O\",\n \"2-[N,N-Bis(trifluoromethanesulfonyl)amino]-5-chloropyridine\": \"ClC1=CN=C(N(S(=O)(C(F)(F)F)=O)S(=O)(C(F)(F)F)=O)C=C1\",\n \"2-Bromo-1-ethylpyridinium Tetrafluoroborate\": \"CC[N+]1=CC=CC=C1Br.F[B-](F)(F)F\",\n \"2-Chloro-1,3-dimethylimidazolinium Chloride\": \"C[N+]1=C(Cl)N(C)CC1.[Cl-]\",\n \"2-Chloro-1,3-dimethylimidazolinium Hexafluorophosphate\": \"C[N+]1=C(Cl)N(C)CC1.F[P-](F)(F)(F)(F)F\",\n \"2-Chloro-1,3-dimethylimidazolinium Tetrafluoroborate\": \"C[N+]1=C(Cl)N(C)CC1.F[B-](F)(F)F\",\n \"2-Chloro-1-methylpyridinium Iodide\": \"C[N+]1=CC=CC=C1Cl.[I-]\",\n \"2-Chloro-1-methylpyridinium p-Toluenesulfonate\": \"C[N+]1=CC=CC=C1Cl.CC2=CC=C(S(=O)([O-])=O)C=C2\",\n \"2-Fluoro-1-methylpyridinium p-Toluenesulfonate\": \"C[N+]1=CC=CC=C1F.CC2=CC=C(S(=O)([O-])=O)C=C2\",\n \"2-Hydroxypyridine N-Oxide\": \"OC1=CC=CC=[N+]1[O-]\",\n \"2-Methyl-6-nitrobenzoic Anhydride\": \"O=C(OC(C1=C([N+]([O-])=O)C=CC=C1C)=O)C2=C([N+]([O-])=O)C=CC=C2C\",\n \"3-(Diethoxyphosphoryloxy)-1,2,3-benzotriazin-4(3H)-one\": \"O=C1N(OP(OCC)(OCC)=O)N=NC2=CC=CC=C12\",\n \"3,4-Dihydro-2H-pyrido[1,2-a]pyrimidin-2-one\": \"O=C1N=C(C=CC=C2)N2CC1\",\n \"3,4-Dihydro-3-hydroxy-4-oxo-1,2,3-benzotriazine\": \"O=C1N(O)N=NC2=CC=CC=C12\",\n \"3-Nitro-1,2,4-triazole\": \"O=[N+](C1=NNC=N1)[O-]\",\n \"3-Pyridinecarboxylic Anhydride\": \"O=C(OC(C1=CC=CN=C1)=O)C2=CC=CN=C2\",\n \"4-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholinium Chloride\": \"C[N+]1(C2=NC(OC)=NC(OC)=N2)CCOCC1.[Cl-]\",\n \"4,6-Diphenylthieno[3,4-d]-1,3-dioxol-2-one 5,5-Dioxide\": \"O=C(OC1=C2C3=CC=CC=C3)OC1=C(C4=CC=CC=C4)S2(=O)=O\",\n \"4-Dimethylaminopyridine\": \"CN(C1=CC=NC=C1)C\",\n \"4-Nitrophenol\": \"OC1=CC=C([N+]([O-])=O)C=C1\",\n \"4-Nitrophenyl Trifluoromethanesulfonate\": \"O=S(C(F)(F)F)(OC1=CC=C([N+]([O-])=O)C=C1)=O\",\n \"4-Pyrrolidinopyridine\": \"C1(N2CCCC2)=CC=NC=C1\",\n \"4-Trifluoromethylbenzoic Anhydride\": \"O=C(OC(C1=CC=C(C(F)(F)F)C=C1)=O)C2=CC=C(C(F)(F)F)C=C2\",\n \"9-Methyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-2-one\": \"O=C1N=C(C(C)=CC=C2)N2CC1\",\n \"Bis(4-nitrophenyl) Carbonate\": \"O=C(OC1=CC=C([N+]([O-])=O)C=C1)OC2=CC=C([N+]([O-])=O)C=C2\",\n \"Bis(pentafluorophenyl) Carbonate\": \"O=C(OC1=C(F)C(F)=C(F)C(F)=C1F)OC2=C(F)C(F)=C(F)C(F)=C2F\",\n \"Bromotripyrrolidinophosphonium Hexafluorophosphate\": \"Br[P+](N1CCCC1)(N2CCCC2)N3CCCC3.F[P-](F)(F)(F)(F)F\",\n \"Bromotris(dimethylamino)phosphonium Hexafluorophosphate\": \"CN([P+](N(C)C)(Br)N(C)C)C.F[P-](F)(F)(F)(F)F\",\n \"Chloro-N,N,N',N'-tetramethylformamidinium Hexafluorophosphate\": \"C[N+](C)=C(Cl)N(C)C.F[P-](F)(F)(F)(F)F\",\n \"Chlorotripyrrolidinophosphonium Hexafluorophosphate\": \"Cl[P+](N1CCCC1)(N2CCCC2)N3CCCC3.F[P-](F)(F)(F)(F)F\",\n \"Cyanomethylenetributylphosphorane\": \"CCCCP(CCCC)(CCCC)=CC#N\",\n \"Di(N-succinimidyl) Carbonate\": \"O=C(ON1C(CCC1=O)=O)ON2C(CCC2=O)=O\",\n \"Di-2-pyridyl Carbonate\": \"O=C(OC1=NC=CC=C1)OC2=NC=CC=C2\",\n \"Diethyl Cyanophosphonate\": \"N#CP(OCC)(OCC)=O\",\n \"Dimesitylammonium Pentafluorobenzenesulfonate\": \"CC1=CC(C)=CC(C)=C1[NH2+]C2=C(C)C=C(C)C=C2C.O=S(C3=C(F)C(F)=C(F)C(F)=C3F)([O-])=O\",\n \"Dimethylthiophosphinoyl Chloride\": \"ClP(C)(C)=S\",\n \"Diphenylphosphinic Chloride\": \"O=P(C1=CC=CC=C1)(C2=CC=CC=C2)Cl\",\n \"Diphenylphosphoryl Azide\": \"O=P(C1=CC=CC=C1)(N=[N+]=[N-])C2=CC=CC=C2\",\n \"Ethyl 1-Hydroxy-1H-1,2,3-triazole-4-carboxylate\": \"O=C(C1=CN(O)N=N1)OCC\",\n \"Ethyl Cyano(hydroxyimino)acetate\": \"O=C(OCC)/C(C#N)=N/O\",\n \"Fluoro-N,N,N',N'-tetramethylformamidinium Hexafluorophosphate\": \"C[N+](C)=C(F)N(C)C.F[P-](F)(F)(F)(F)F\",\n \"Iodosodilactone\": \"O=C1OI2C3=C1C=CC=C3C(O2)=O\",\n \"N-(2-Pyridyl)bis(trifluoromethanesulfonimide)\": \"O=S(N(C1=NC=CC=C1)S(=O)(C(F)(F)F)=O)(C(F)(F)F)=O\",\n \"N,N,N',N'-Tetramethyl-O-(N-succinimidyl)uronium Hexafluorophosphate\": \"O=C(N1[O+]=C(N(C)C)N(C)C)CCC1=O.F[P-](F)(F)(F)(F)F\",\n \"N,N,N',N'-Tetramethyl-O-(N-succinimidyl)uronium Tetrafluoroborate\": \"O=C(N1[O+]=C(N(C)C)N(C)C)CCC1=O.F[B-](F)(F)F\",\n \"N,N,N',N'-Tetramethyl-S-(1-oxido-2-pyridyl)thiouronium Hexafluorophosphate\": \"[O-][N+]1=CC=CC=C1[S+]=C(N(C)C)N(C)C.F[P-](F)(F)(F)(F)F\",\n \"N,N,N',N'-Tetramethyl-S-(1-oxido-2-pyridyl)thiouronium Tetrafluoroborate\": \"[O-][N+]1=CC=CC=C1[S+]=C(N(C)C)N(C)C.F[B-](F)(F)F\",\n \"N,N'-Dicyclohexylcarbodiimide\": \"C1(N=C=NC2CCCCC2)CCCCC1\",\n \"N,N'-Diisopropylcarbodiimide\": \"CC(N=C=NC(C)C)C\",\n \"N,N'-Di-tert-butylcarbodiimide\": \"CC(N=C=NC(C)(C)C)(C)C\",\n \"N-Hydroxy-5-norbornene-2,3-dicarboximide\": \"O=C(C1C2C3C=CC1C3)N(O)C2=O\",\n \"N-Hydroxyphthalimide\": \"O=C(N1O)C2=CC=CC=C2C1=O\",\n \"N-Hydroxysuccinimide\": \"O=C(N1O)CCC1=O\",\n \"N-Hydroxysulfosuccinimide Sodium Salt\": \"O=C(N1O)C(S(=O)([O-])=O)CC1=O.[Na+]\",\n \"N-Phenylbis(trifluoromethanesulfonimide)\": \"O=S(N(C1=CC=CC=C1)S(C(F)(F)F)(=O)=O)(C(F)(F)F)=O\",\n \"N-tert-Butyl-5-methylisoxazolium Perchlorate\": \"CC1=CC=[N+](C(C)(C)C)O1.O=Cl(=O)([O-])=O\",\n \"O-(3,4-Dihydro-4-oxo-1,2,3-benzotriazin-3-yl)-N,N,N',N'-tetramethyluronium Tetrafluoroborate\": \"CN(C)C(N(C)C)=[O+]N1N=NC2=CC=CC=C2C1=O.F[B-](F)(F)F\",\n \"O-(6-Chlorobenzotriazol-1-yl)-N,N,N',N'-tetramethyluronium Hexafluorophosphate\": \"CN(C)C(N(C)C)=[O+]N1N=NC2=CC=C(Cl)C=C21.F[P-](F)(F)(F)(F)F\",\n \"O-(6-Chlorobenzotriazol-1-yl)-N,N,N',N'-tetramethyluronium Tetrafluoroborate\": \"CN(C)C(N(C)C)=[O+]N1N=NC2=CC=C(Cl)C=C21.F[B-](F)(F)F\",\n \"O-(7-Azabenzotriazol-1-yl)-N,N,N',N'-tetramethyluronium Hexafluorophosphate\": \"CN(C)C(N(C)C)=[O+]N1N=NC2=CC=CN=C21.F[P-](F)(F)(F)(F)F\",\n \"O-(7-Azabenzotriazol-1-yl)-N,N,N',N'-tetramethyluronium Tetrafluoroborate\": \"CN(C)C(N(C)C)=[O+]N1N=NC2=CC=CN=C21.F[B-](F)(F)F\",\n \"O-(Benzotriazol-1-yl)-N,N,N',N'-bis(pentamethylene)uronium Hexafluorophosphate\": \"F[P-](F)(F)(F)(F)F.N1(OC(N2CCCCC2)=[N+]3CCCCC3)N=NC4=C1C=CC=C4\",\n \"O-(Benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium Hexafluorophosphate\": \"CN(C)C(N(C)C)=[O+]N1N=NC2=CC=CC=C21.F[P-](F)(F)(F)(F)F\",\n \"O-(Benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium Tetrafluoroborate\": \"CN(C)C(N(C)C)=[O+]N1N=NC2=CC=CC=C21.F[B-](F)(F)F\",\n \"O,O'-Di-2-pyridyl Thiocarbonate\": \"S=C(OC1=NC=CC=C1)OC2=NC=CC=C2\",\n \"O-[(Ethoxycarbonyl)cyanomethylenamino]-N,N,N',N'-tetramethyluronium Hexafluorophosphate\": \"CN(C)C(N(C)C)=[O+]/N=C(C(OCC)=O)\\\\C#N.F[P-](F)(F)(F)(F)F\",\n \"O-[(Ethoxycarbonyl)cyanomethylenamino]-N,N,N',N'-tetramethyluronium Tetrafluoroborate\": \"CN(C)C(N(C)C)=[O+]/N=C(C(OCC)=O)\\\\C#N.F[B-](F)(F)F\",\n \"O-[2-Oxo-1(2H)-pyridyl]-N,N,N',N'-tetramethyluronium Tetrafluoroborate\": \"CN(C)C(N(C)C)=[O+]N1C=CC=CC1=O.F[B-](F)(F)F\",\n \"Pentafluorophenol\": \"OC1=C(F)C(F)=C(F)C(F)=C1F\",\n \"Pentafluorophenyl 4-Nitrobenzenesulfonate\": \"O=S(C1=CC=C([N+]([O-])=O)C=C1)(OC2=C(F)C(F)=C(F)C(F)=C2F)=O\",\n \"Trifluoromethanesulfonanilide\": \"O=S(C(F)(F)F)(NC1=CC=CC=C1)=O\",\n \"Trifluoromethanesulfonic Anhydride\": \"O=S(C(F)(F)F)(OS(C(F)(F)F)(=O)=O)=O\",\n \"Trifluoromethanesulfonyl Chloride\": \"O=S(C(F)(F)F)(Cl)=O\",\n \"Triphosgene\": \"ClC(Cl)(OC(OC(Cl)(Cl)Cl)=O)Cl\",\n}","export const halogenationBrClI = {\n \"1,2-Dibromo-1,1,2,2-tetrachloroethane\": \"ClC(Cl)(Br)C(Cl)(Br)Cl\",\n \"1,3-Dibromo-5,5-dimethylhydantoin\": \"O=C(N1Br)N(Br)C(C)(C)C1=O\",\n \"1,3-Diiodo-5,5-dimethylhydantoin\": \"O=C(N1I)N(I)C(C)(C)C1=O\",\n \"1,8-Diazabicyclo[5.4.0]-7-undecene Hydrogen Tribromide\": \"N12CCCCCC1=NCCC2.[H+].[Br-].[Br-].[Br-]\",\n \"1-Butyl-3-methylimidazolium Tribromide\": \"C[N+]1=CN(CCCC)C=C1.[Br-].[Br-].[Br-]\",\n \"1-Chloro-2-iodoethane\": \"ICCCl\",\n \"2,4,4,6-Tetrabromo-2,5-cyclohexadienone\": \"BrC1=CC(Br)(Br)C=C(Br)C1=O\",\n \"2-Bromo-2-cyano-N,N-dimethylacetamide\": \"O=C(N(C)C)C(Br)C#N\",\n \"4-Dimethylaminopyridinium Bromide Perbromide\": \"CN(C)C1=CC=[NH+]C=C1.Br[Br-]Br\",\n \"5,5-Dibromomeldrum's Acid (=5,5-Dibromo-2,2-dimethyl-4,6-dioxy-1,3-dioxane)\": \"O=C(OC(C)(C)O1)C(Br)(Br)C1=O\",\n \"Benzyltrimethylammonium Dichloroiodate\": \"C[N+](C)(CC1=CC=CC=C1)C.Cl[I-]Cl\",\n \"Benzyltrimethylammonium Tetrachloroiodate\": \"C[N+](C)(CC1=CC=CC=C1)C.Cl[I-](Cl)(Cl)Cl\",\n \"Benzyltrimethylammonium Tribromide\": \"C[N+](C)(CC1=CC=CC=C1)C.[Br-].[Br-].[Br-]\",\n \"Bis(2,4,6-trimethylpyridine)bromonium Hexafluorophosphate\": \"CC1=CC(C)=C([BrH+])C(C)=N1.CC2=CC(C)=CC(C)=N2.F[P-](F)(F)(F)(F)F\",\n \"Bis(2,4,6-trimethylpyridine)iodonium Hexafluorophosphate\": \"CC1=CC(C)=C([IH+])C(C)=N1.CC2=CC(C)=CC(C)=N2.F[P-](F)(F)(F)(F)F\",\n \"Bis(pyridine)iodonium Tetrafluoroborate\": \"[IH+]C1=NC=CC=C1.F[B-](F)(F)F.C2=NC=CC=C2\",\n \"Bromine - 1,4-Dioxane Complex\": \"BrBr.O1CCOCC1\",\n \"Bromodimethylsulfonium Bromide\": \"C[S+](Br)C.[Br-]\",\n \"Bromotrichloromethane\": \"ClC(Cl)(Br)Cl\",\n \"Carbon Tetrabromide\": \"BrC(Br)(Br)Br\",\n \"Carbon Tetraiodide\": \"IC(I)(I)I\",\n \"Chloramine B Hydrate\": \"O=S([N-]Cl)(C1=CC=CC=C1)=O.O.[Na+]\",\n \"Chloramine T Trihydrate\": \"CC1=CC=C(S(=O)([N-]Cl)=O)C=C1.[H]O[H].[H]O[H].[H]O[H].[Na+]\",\n \"Cyanuric Chloride\": \"ClC1=NC(Cl)=NC(Cl)=N1\",\n \"Dibromoisocyanuric Acid\": \"O=C(N(Br)C(N1)=O)N(Br)C1=O\",\n \"Dichloramine B\": \"O=S(N(Cl)Cl)(C1=CC=CC=C1)=O\",\n \"Dichloramine T\": \"O=S(N(Cl)Cl)(C(C=C1)=CC=C1C)=O\",\n \"Hydriodic Acid\": \"[H]I\",\n \"Iodine\": \"II\",\n \"Monosodium Bromoisocyanurate Hydrate\": \"BrC([N-]C(N1)=O)=NC1=O.[Na+]\",\n \"N,N-Dimethyl-N-(methylsulfanylmethylene)ammonium Iodide\": \"CSC=[N+](C)C.[I-]\",\n \"N-Bromoacetamide\": \"CC(NBr)=O\",\n \"N-Bromophthalimide\": \"O=C(N1Br)C2=CC=CC=C2C1=O\",\n \"N-Bromosaccharin\": \"O=C1N(Br)S(=O)(C2=C1C=CC=C2)=O\",\n \"N-Bromosuccinimide\": \"O=C(N1Br)CCC1=O\",\n \"N-Chlorophthalimide\": \"O=C(N1Cl)C2=CC=CC=C2C1=O\",\n \"N-Chlorosaccharin\": \"O=C1N(Cl)S(=O)(C2=C1C=CC=C2)=O\",\n \"N-Chlorosuccinimide\": \"O=C(N1Cl)CCC1=O\",\n \"N-Iodosaccharin\": \"O=C1N(I)S(=O)(C2=C1C=CC=C2)=O\",\n \"N-Iodosuccinimide\": \"O=C(N1I)CCC1=O\",\n \"o-Chloramine T\": \"CC1=CC=CC=C1S([N-]Cl)(=O)=O.[Na+]\",\n \"Oxalyl Chloride\": \"O=C(Cl)C(Cl)=O\",\n \"Pyridine Iodine Monochloride\": \"IC1=NC=CC=C1Cl\",\n \"Pyridinium Bromide Perbromide\": \"BrBr.C1=[NH+]C=CC=C1.[Br-]\",\n \"Sodium Dichloroisocyanurate\": \"ClN(C([N-]C1=O)=O)C(N1Cl)=O.[Na+]\",\n \"Tetrabutylammonium Tribromide\": \"CCCC[N+](CCCC)(CCCC)CCCC.[Br-].[Br-].[Br-]\",\n \"Tetramethylammonium Dichloroiodate\": \"C[N+](C)(C)C.Cl[I-]Cl\",\n \"Thionyl Chloride\": \"O=S(Cl)Cl\",\n \"Trichloroisocyanuric Acid\": \"O=C(N(Cl)C(N1Cl)=O)N(Cl)C1=O\",\n \"Trichloromethanesulfonyl Chloride\": \"O=S(C(Cl)(Cl)Cl)(Cl)=O\",\n \"Trimethylphenylammonium Tribromide\": \"C[N+](C)(C)C1=CC=CC=C1.[Br-].[Br-].[Br-]\",\n}","export const fluorination = {\n \"(1,10-Phenanthroline)(trifluoromethyl)(triphenylphosphine)copper(I)\": \"[Cu]C(F)(F)F.P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.C45=CC=C6C=CC=NC6=C4N=CC=C5\",\n \"(Bromodifluoromethyl)trimethylsilane\": \"C[Si](C)(C(F)(Br)F)C\",\n \"(Diethylamino)sulfur Trifluoride\": \"CCN(S(F)(F)F)CC\",\n \"(Difluoromethyl)trimethylsilane\": \"C[Si](C)(C(F)F)C\",\n \"(E)-Trimethyl(3,3,3-trifluoro-1-propenyl)silane\": \"FC(F)(F)/C=C/[Si](C)(C)C\",\n \"(Perfluorohexyl)phenyliodonium Trifluoromethanesulfonate\": \"FC([I+]C1=CC=CC=C1)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(C(F)(F)F)([O-])=O\",\n \"(Perfluoro-n-octyl)phenyliodonium Trifluoromethanesulfonate\": \"FC([I+]C1=CC=CC=C1)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(C(F)(F)F)([O-])=O\",\n \"(Perfluoropropyl)phenyliodonium Trifluoromethanesulfonate\": \"FC([I+]C1=CC=CC=C1)(F)C(F)(F)C(F)(F)F.O=S(C(F)(F)F)([O-])=O\",\n \"(Trifluoroacetyl)benzotriazole\": \"O=C(C1=C2N=NNC2=CC=C1)C(F)(F)F\",\n \"(Trifluoromethyl)trimethylsilane\": \"C[Si](C)(C(F)(F)F)C\",\n \"(Trifluoromethyl)tris(triphenylphosphine)copper(I)\": \"[Cu]C(F)(F)F.P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.P(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6.P(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9\",\n \"1-(Heptafluorobutyryl)imidazole\": \"O=C(N1C=CN=C1)C(F)(F)C(F)(F)C(F)(F)F\",\n \"1-(Trifluoroacetyl)-4-(dimethylamino)pyridinium Trifluoroacetate\": \"CN(C1=CC=[N+](C(C(F)(F)F)=O)C=C1)C.O=C([O-])C(F)(F)F\",\n \"1-(Trifluoroacetyl)imidazole\": \"O=C(N1C=CN=C1)C(F)(F)F\",\n \"1-(Trifluoroacetyl)piperidine\": \"O=C(N1CCCCC1)C(F)(F)F\",\n \"1,1,1,3,3,3-Hexafluoroisopropyl Trifluoromethanesulfonate\": \"O=S(C(F)(F)F)(OC(C(F)(F)F)C(F)(F)F)=O\",\n \"1,1'-Difluoro-2,2'-bipyridinium Bis(tetrafluoroborate)\": \"F[N+]1=CC=CC=C1C2=CC=CC=[N+]2F.F[B-](F)(F)F.F[B-](F)(F)F\",\n \"1-Fluoro-2,4,6-trimethylpyridinium Tetrafluoroborate\": \"CC1=[N+](F)C(C)=CC(C)=C1.F[B-](F)(F)F\",\n \"1-Fluoro-2,4,6-trimethylpyridinium Trifluoromethanesulfonate\": \"CC1=[N+](F)C(C)=CC(C)=C1.O=S(C(F)(F)F)([O-])=O\",\n \"1-Fluoro-2,6-dichloropyridinium Tetrafluoroborate\": \"ClC1=[N+](F)C(Cl)=CC=C1.F[B-](F)(F)F\",\n \"1-Fluoro-3,3-dimethyl-1,2-benziodoxole\": \"CC1(C)OI(F)C2=CC=CC=C12\",\n \"1-Fluoropyridinium Tetrafluoroborate\": \"F[N+]1=CC=CC=C1.F[B-](F)(F)F\",\n \"1-Fluoropyridinium Trifluoromethanesulfonate\": \"F[N+]1=CC=CC=C1.O=S(C(F)(F)F)([O-])=O\",\n \"1-Trifluoromethyl-1,2-benziodoxol-3(1H)-one\": \"O=C1OI(C(F)(F)F)C2=CC=CC=C12\",\n \"1-Trifluoromethyl-3,3-dimethyl-1,2-benziodoxole\": \"CC1(C)OI(C(F)(F)F)C2=CC=CC=C12\",\n \"2,2,2-Trifluoro-1,1-ethanediol\": \"OC(O)C(F)(F)F\",\n \"2,2,2-Trifluoroethyl Methanesulfonate\": \"CS(=O)(OCC(F)(F)F)=O\",\n \"2,2,2-Trifluoroethyl Trifluoromethanesulfonate\": \"O=S(C(F)(F)F)(OCC(F)(F)F)=O\",\n \"2,2,2-Trifluoroethyl p-Toluenesulfonate\": \"CC1=CC=C(S(=O)(OCC(F)(F)F)=O)C=C1\",\n \"2,2,2-Trifluoro-N,N-dimethylacetamide\": \"O=C(N(C)C)C(F)(F)F\",\n \"2,2,3,3,3-Pentafluoropropyl p-Toluenesulfonate\": \"CC1=CC=C(S(=O)(OCC(F)(F)C(F)(F)F)=O)C=C1\",\n \"2,2-Difluoro-2-(fluorosulfonyl)acetic Acid\": \"O=C(O)C(F)(F)S(=O)(F)=O\",\n \"2,2-Difluoroethyl Trifluoromethanesulfonate\": \"O=S(C(F)(F)F)(OCC(F)F)=O\",\n \"2,2-Difluoroethylamine\": \"NCC(F)F\",\n \"2,8-Difluoro-5-(trifluoromethyl)-5H-dibenzo[b,d]thiophen-5-ium Trifluoromethanesulfonate\": \"FC([S+]1C2=CC=C(F)C=C2C3=CC(F)=CC=C31)(F)F.O=S(C(F)(F)F)([O-])=O\",\n \"2-Chloro-1,3-bis(2,6-diisopropylphenyl)-1H-imidazolium Chloride\": \"CC(C1=C([N+]2=C(Cl)N(C3=C(C(C)C)C=CC=C3C(C)C)C=C2)C(C(C)C)=CC=C1)C.[Cl-]\",\n \"2-Fluoro-1-methylpyridinium p-Toluenesulfonate\": \"C[N+]1=CC=CC=C1F.CC2=CC=C(S(=O)([O-])=O)C=C2\",\n \"4-[2,2,2-Trifluoro-1-[(trimethylsilyl)oxy]ethyl]morpholine\": \"C[Si](OC(N1CCOCC1)C(F)(F)F)(C)C\",\n \"4-tert-Butyl-2,6-dimethylphenylsulfur Trifluoride\": \"CC1=C(S(F)(F)F)C(C)=CC(C(C)(C)C)=C1\",\n \"AlkylFluor\": \"FC(N(C=C1)C2=C(C(C)C)C=CC=C2C(C)C)=[N+]1C(C(C(C)C)=CC=C3)=C3C(C)C.F[B-](F)(F)F\",\n \"Benzoyl(phenyliodonio)(trifluoromethanesulfonyl)methanide\": \"O=S([C-](C(C1=CC=CC=C1)=O)[I+]C2=CC=CC=C2)(C(F)(F)F)=O\",\n \"Bistrifluoroacetamide\": \"O=C(C(F)(F)F)NC(C(F)(F)F)=O\",\n \"Copper(I) Trifluoromethanethiolate\": \"[S-]C(F)(F)F.[Cu+]\",\n \"Diethyl (Bromodifluoromethyl)phosphonate\": \"FC(Br)(P(OCC)(OCC)=O)F\",\n \"Difluoroacetic Anhydride\": \"O=C(OC(C(F)F)=O)C(F)F\",\n \"Difluoromethyl 2-Pyridyl Sulfone\": \"O=S(C1=NC=CC=C1)(C(F)F)=O\",\n \"Difluoromethyl Phenyl Sulfide\": \"FC(SC1=CC=CC=C1)F\",\n \"Difluoromethyl Phenyl Sulfone\": \"O=S(C1=CC=CC=C1)(C(F)F)=O\",\n \"Heptafluorobutyric Anhydride\": \"O=C(OC(C(F)(F)C(F)(F)C(F)(F)F)=O)C(F)(F)C(F)(F)C(F)(F)F\",\n \"Heptafluorobutyryl Chloride\": \"O=C(Cl)C(F)(F)C(F)(F)C(F)(F)F\",\n \"Methyl Chlorodifluoroacetate\": \"O=C(OC)C(F)(Cl)F\",\n \"Methyl Difluoro(fluorosulfonyl)acetate\": \"O=C(OC)C(F)(F)S(=O)(F)=O\",\n \"Morpholinosulfur Trifluoride\": \"FS(F)(F)N1CCOCC1\",\n \"N-(Trifluoromethylthio)phthalimide\": \"O=C(N1SC(F)(F)F)C2=CC=CC=C2C1=O\",\n \"N-Fluorobenzenesulfonimide\": \"FN(S(=O)(C1=CC=CC=C1)=O)S(=O)(C2=CC=CC=C2)=O\",\n \"N-Fluoro-N'-(chloromethyl)triethylenediamine Bis(tetrafluoroborate)\": \"F[N+]1(CC2)CC[N+]2(CCl)CC1.F[B-](F)(F)F.F[B-](F)(F)F\",\n \"N-Methylbis(trifluoroacetamide)\": \"O=C(C(F)(F)F)N(C)C(C(F)(F)F)=O\",\n \"N-Methyl-N-(trifluoromethylthio)aniline\": \"FC(F)(F)SN(C)C1=CC=CC=C1\",\n \"Pentafluorobenzoyl Chloride\": \"O=C(Cl)C1=C(F)C(F)=C(F)C(F)=C1F\",\n \"Pentafluorophenyl Trifluoroacetate\": \"O=C(OC1=C(F)C(F)=C(F)C(F)=C1F)C(F)(F)F\",\n \"Pentafluoropropionic Anhydride\": \"O=C(OC(C(F)(F)C(F)(F)F)=O)C(F)(F)C(F)(F)F\",\n \"Phenyl Trifluoromethyl Sulfone\": \"O=S(C(F)(F)F)(C1=CC=CC=C1)=O\",\n \"Phenyl Trifluoromethyl Sulfoxide\": \"O=S(C1=CC=CC=C1)C(F)(F)F\",\n \"Potassium Trifluoroacetate\": \"O=C([O-])C(F)(F)F.[K+]\",\n \"Potassium Trimethoxy(trifluoromethyl)borate\": \"FC([B-](OC)(OC)OC)(F)F.[K+]\",\n \"Pyridine-2-sulfonyl Fluoride\": \"O=S(C1=NC=CC=C1)(F)=O\",\n \"Pyrimidine-2-sulfonyl Fluoride\": \"O=S(C1=NC=CC=N1)(F)=O\",\n \"S-Ethyl Trifluorothioacetate\": \"O=C(SCC)C(F)(F)F\",\n \"Silver(I) Trifluoromethanethiolate\": \"[S-]C(F)(F)F.[Ag+]\",\n \"Sodium Bromodifluoroacetate\": \"O=C([O-])C(F)(Br)F.[Na+]\",\n \"Sodium Chlorodifluoroacetate\": \"O=C([O-])C(F)(Cl)F.[Na+]\",\n \"Sodium Trifluoroacetate\": \"O=C([O-])C(F)(F)F.[Na+]\",\n \"Sodium Trifluoromethanesulfinate\": \"O=S(C(F)(F)F)[O-].[Na+]\",\n \"Tetrabutylammonium Bifluoride\": \"CCCC[N+](CCCC)(CCCC)CCCC.[H]F.[F-]\",\n \"Tetrabutylammonium Difluorotriphenylstannate\": \"CCCC[N+](CCCC)(CCCC)CCCC.F[Sn-](C1=CC=CC=C1)(C2=CC=CC=C2)(F)C3=CC=CC=C3\",\n \"Tetrabutylammonium Dihydrogen Trifluoride\": \"CCCC[N+](CCCC)(CCCC)CCCC.[H+].[H+].[F-].[F-].[F-]\",\n \"Tetrabutylammonium Fluoride\": \"CCCC[N+](CCCC)(CCCC)CCCC.[F-]\",\n \"Tetrabutylammonium Fluoride Hydrate\": \"CCCC[N+](CCCC)(CCCC)CCCC.[H]O[H].[F-]\",\n \"Tetraethylammonium Fluoride Tetrahydrofluoride\": \"CC[N+](CC)(CC)CC.[H]F.[H]F.[H]F.[H]F.[F-]\",\n \"Tetraethylammonium Fluoride Trihydrofluoride\": \"CC[N+](CC)(CC)CC.[H]F.[H]F.[H]F.[F-]\",\n \"Tetramethylammonium Fluoride Tetrahydrate\": \"C[N+](C)(C)C.[H]O[H].[H]O[H].[H]O[H].[H]O[H].[F-]\",\n \"Triethyl 2-Fluoro-2-phosphonoacetate\": \"O=C(OCC)C(F)P(OCC)(OCC)=O\",\n \"Triethyl(trifluoromethyl)silane\": \"FC([Si](CC)(CC)CC)(F)F\",\n \"Triethylamine Trihydrofluoride\": \"CCN(CC)CC.[H]F.[H]F.[H]F\",\n \"Trifluoroacetic Anhydride\": \"O=C(OC(C(F)(F)F)=O)C(F)(F)F\",\n \"Trifluoroacetyl Triflate\": \"O=S(OC(C(F)(F)F)=O)(C(F)(F)F)=O\",\n \"Trimethyl(pentafluoroethyl)silane\": \"FC([Si](C)(C)C)(F)C(F)(F)F\",\n \"Trimethylsilyl Difluoro(fluorosulfonyl)acetate\": \"O=C(O[Si](C)(C)C)C(F)(F)S(=O)(F)=O\",\n \"Zinc(II) Bis(trifluoromethanesulfinate) Dihydrate\": \"O=S(C(F)(F)F)[O-].O=S(C(F)(F)F)[O-].[H]O[H].[H]O[H].[Zn+2]\",\n \"IF5-Pyridine-HF\": \"[H]F.FI(F)(F)(F)F.C1=CN=CC=C1\",\n \"Ishikawa's Reagent\": \"FC(N(CC)CC)(C(C(F)(F)F)F)F\",\n \"PhenoFluor™ Mix\": \"[Cs]F.Cl[C+](N(C=C1)C2=C(C(C)C)C=CC=C2C(C)C)=[N]1C(C(C(C)C)=CC=C3)=C3C(C)C.[Cl-]\"\n}","export const orgBases = {\n \"1,1,3,3-Tetramethylguanidine\": \"N=C(N(C)C)N(C)C\",\n \"1,4-Diazabicyclo[2.2.2]octane\": \"N1(CC2)CCN2CC1\",\n \"1,5,7-Triazabicyclo[4.4.0]dec-5-ene\": \"N12CCCN=C1NCCC2\",\n \"1,5-Diazabicyclo[4.3.0]-5-nonene\": \"N12CCCN=C1CCC2\",\n \"1,8-Bis(dimethylamino)naphthalene\": \"CN(C1=CC=CC2=CC=CC(N(C)C)=C12)C\",\n \"1,8-Diazabicyclo[5.4.0]-7-undecene\": \"N12CCCCCC1=NCCC2\",\n \"2,2,6,6-Tetramethylpiperidine\": \"CC1(C)CCCC(C)(C)N1\",\n \"2,6-Lutidine\": \"CC1=NC(C)=CC=C1\",\n \"4-Dimethylaminopyridine\": \"CN(C1=CC=NC=C1)C\",\n \"7-Methyl-1,5,7-triazabicyclo[4.4.0]dec-5-ene\": \"CN1C2=NCCCN2CCC1\",\n \"9-Azajulolidine\": \"N1(CCC2)CCCC3=CN=CC2=C31\",\n \"Benzyltrimethylammonium Hydroxide\": \"C[N+](C)(CC1=CC=CC=C1)C.[OH-]\",\n \"Butylmagnesium Chloride \": \"Cl[Mg]CCCC\",\n \"Choline \": \"OCC[N+](C)(C)C\",\n \"Dimethylamine\": \"CNC\",\n \"Ethylamine \": \"NCC\",\n \"Ethylamine Hydrochloride\": \"NCC.[H]Cl\",\n \"Ethylmagnesium Bromide\": \"Br[Mg]CC\",\n \"Ethylmagnesium Chloride\": \"Cl[Mg]CC\",\n \"Hexadecyltrimethylammonium Hydroxide \": \"C[N+](C)(CCCCCCCCCCCCCCCC)C.[OH-]\",\n \"Hexylmagnesium Bromide\": \"Br[Mg]CCCCCC\",\n \"Isobutylmagnesium Bromide\": \"Br[Mg]CC(C)C\",\n \"Isopropylmagnesium Chloride\": \"Cl[Mg]C(C)C\",\n \"Lithium Bis(trimethylsilyl)amide\": \"C[Si]([N-][Si](C)(C)C)(C)C.[Li+]\",\n \"Lithium Diisopropylamide \": \"CC([N-]C(C)C)C.[Li+]\",\n \"Lithium tert-Butoxide \": \"CC(C)([O-])C.[Li+]\",\n \"Methylamine\": \"NC\",\n \"Methylmagnesium Bromide\": \"Br[Mg]C\",\n \"Methylmagnesium Iodide\": \"I[Mg]C\",\n \"N,N-Diisopropylethylamine\": \"CCN(C(C)C)C(C)C\",\n \"Pentylmagnesium Bromide\": \"Br[Mg]CCCCC\",\n \"Potassium Bis(trimethylsilyl)amide\": \"C[Si]([N-][Si](C)(C)C)(C)C.[K+]\",\n \"Potassium tert-Butoxide\": \"CC(C)([O-])C.[K+]\",\n \"Potassium tert-Pentoxide\": \"CCC(C)([O-])C.[K+]\",\n \"Sodium Bis(trimethylsilyl)amide\": \"C[Si]([N-][Si](C)(C)C)(C)C.[Na+]\",\n \"Sodium Ethoxide\": \"CC[O-].[Na+]\",\n \"Sodium Methoxide\": \"C[O-].[Na+]\",\n \"Sodium tert-Butoxide\": \"CC(C)([O-])C.[Na+]\",\n \"Sodium tert-Pentoxide\": \"CCC(C)([O-])C.[Na+]\",\n \"tert-Butylmagnesium Chloride\": \"Cl[Mg]C(C)(C)C\",\n \"Tetrabutylphosphonium Hydroxide\": \"CCCC[P+](CCCC)(CCCC)CCCC.[OH-]\",\n \"Tetraethylammonium Hydroxide\": \"CC[N+](CC)(CC)CC.[OH-]\",\n \"Tetrahexylammonium Hydroxide\": \"CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC.[OH-]\",\n \"Tetramethylammonium Hydroxide\": \"C[N+](C)(C)C.[OH-]\",\n \"Tetrapropylammonium Hydroxide\": \"CCC[N+](CCC)(CCC)CCC.[OH-]\",\n \"Tributylamine\": \"CCCCN(CCCC)CCCC\",\n \"Triethylamine\": \"CCN(CC)CC\",\n \"Trimethylphenylammonium Hydroxide\": \"C[N+](C)(C)C1=CC=CC=C1.[OH-]\",\n \"Tris(hydroxymethyl)aminomethane\": \"NC(CO)(CO)CO\"\n}","export const lewisAcids = {\n \"(±)-10-Camphorsulfonic Acid\": \"O=C(CC(C(C)1C)CC2)C21CS(=O)(O)=O\",\n \"1,2-Benzenedisulfonic Imide\": \"O=S(C1=CC=CC=C1S2(=O)=O)(N2)=O\",\n \"2-Hydroxybenzoic Acid\": \"O=C(O)C1=CC=CC=C1O\",\n \"5-Sulfosalicylic Acid Dihydrate\": \"OC1=CC=C(S(=O)(O)=O)C=C1C(O)=O.[H]O[H].[H]O[H]\",\n \"Acetic Acid\": \"CC(O)=O\",\n \"Aluminum Bromide Anhydrous\": \"[Al+3].[Br-].[Br-].[Br-]\",\n \"Aluminum Isopropoxide\": \"CC([O-])C.CC([O-])C.CC([O-])C.[Al+3]\",\n \"Aluminum(III) Chloride\": \"[Al+3].[Cl-].[Cl-].[Cl-]\",\n \"Aminomethanesulfonic Acid\": \"O=S(CN)(O)=O\",\n \"Benzenesulfonic Acid Anhydrous\": \"O=S(C1=CC=CC=C1)(O)=O\",\n \"Benzenesulfonic Acid Monohydrate\": \"O=S(C1=CC=CC=C1)(O)=O.[H]O[H]\",\n \"Benzoic Acid\": \"O=C(O)C1=CC=CC=C1\",\n \"Bis(trifluoromethanesulfonyl)imide\": \"O=S(C(F)(F)F)(NS(=O)(C(F)(F)F)=O)=O\",\n \"Boron Trifluoride\": \"FB(F)F\",\n \"Bromoacetic Acid\": \"O=C(O)CBr\",\n \"Cerium(III) Trifluoromethanesulfonate\": \"O=S(C(F)(F)F)([O-])=O.O=S(C(F)(F)F)([O-])=O.O=S(C(F)(F)F)([O-])=O.[Ce+3]\",\n \"Chloroacetic Acid\": \"O=C(O)CCl\",\n \"Chlorodifluoroacetic Acid\": \"O=C(O)C(F)(Cl)F\",\n \"Citric Acid\": \"OC(C(O)=O)(CC(O)=O)CC(O)=O\",\n \"Copper(II) Trifluoromethanesulfonate\": \"O=S(C(F)(F)F)([O-])=O.O=S(C(F)(F)F)([O-])=O.[Cu+2]\",\n \"Croconic Acid\": \"OC1=C(C(C(C1=O)=O)=O)O\",\n \"Dichloroacetic Acid\": \"O=C(O)C(Cl)Cl\",\n \"Dicyclohexyl(trifluoromethanesulfonyloxy)borane\": \"O=S(OB(C1CCCCC1)C2CCCCC2)(C(F)(F)F)=O\",\n \"Difluoroacetic Acid\": \"O=C(O)C(F)F\",\n \"DL-Lactic Acid\": \"OC(C)C(O)=O\",\n \"DL-Malic Acid\": \"OC(CC(O)=O)C(O)=O\",\n \"DL-α-Lipoic Acid\": \"O=C(CCCCC1SSCC1)O\",\n \"Ethylenediaminetetraacetic Acid\": \"O=C(CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O)O\",\n \"Folic Acid Hydrate\": \"O=C(O)C(NC(C1=CC=C(NCC2=NC3=C(N=C2)N=C(N)NC3=O)C=C1)=O)CCC(O)=O.[H]O[H]\",\n \"Fumaric Acid\": \"O=C(O)/C=C/C(O)=O\",\n \"Gallic Acid Hydrate\": \"OC1=CC(C(O)=O)=CC(O)=C1O.[H]O[H]\",\n \"Glycolic Acid\": \"OCC(O)=O\",\n \"Hafnium(IV) Trifluoromethanesulfonate\": \"O=S(C(F)(F)F)([O-])=O.O=S(C(F)(F)F)([O-])=O.O=S(C(F)(F)F)([O-])=O.O=S(C(F)(F)F)([O-])=O.[Hf+4]\",\n \"Hydriodic Acid\": \"[H]I\",\n \"Hydrochloric Acid\": \"[H]Cl\",\n \"Hydrogen Bromide\": \"[H]Br\",\n \"Hydrogen Chloride\": \"[H]Cl\",\n \"Hydroxylamine-O-sulfonic Acid\": \"NOS(O)(=O)=O\",\n \"L-(+)-Tartaric Acid\": \"O[C@H]([C@H](C(O)=O)O)C(O)=O\",\n \"Lanthanum(III) Trifluoromethanesulfonate\": \"O=S(C(F)(F)F)([O-])=O.O=S(C(F)(F)F)([O-])=O.O=S(C(F)(F)F)([O-])=O.[La+3]\",\n \"L-Ascorbic Acid\": \"OC([C@H](O1)[C@H](CO)O)=C(O)C1=O\",\n \"L-Lactic Acid\": \"OC(C)C(O)=O\",\n \"Maleic Acid\": \"O=C(O)/C=C\\\\C(O)=O\",\n \"Malonic Acid\": \"O=C(O)CC(O)=O\",\n \"Methanesulfonic Acid\": \"CS(=O)(O)=O\",\n \"Neodymium(III) Trifluoromethanesulfonate\": \"O=S(C(F)(F)F)([O-])=O.O=S(C(F)(F)F)([O-])=O.O=S(C(F)(F)F)([O-])=O.[Nd+3]\",\n \"Nitrilotriacetic Acid\": \"O=C(O)CN(CC(O)=O)CC(O)=O\",\n \"Palmitic Acid\": \"CCCCCCCCCCCCCCCC(O)=O\",\n \"Phthalic Acid\": \"O=C(O)C1=CC=CC=C1C(O)=O\",\n \"Propionic Acid\": \"CCC(O)=O\",\n \"p-Toluenesulfonic Acid Monohydrate\": \"CC1=CC=C(S(=O)(O)=O)C=C1.[H]O[H]\",\n \"Pyridinium p-Toluenesulfonate\": \"CC1=CC=C(S(=O)([O-])=O)C=C1.C2=CC=CC=[NH+]2\",\n \"Scandium(III) Trifluoromethanesulfonate\": \"O=S(C(F)(F)F)([O-])=O.O=S(C(F)(F)F)([O-])=O.O=S(C(F)(F)F)([O-])=O.[Sc+3]\",\n \"Silver Trifluoromethanesulfonate\": \"O=S(C(F)(F)F)([O-])=O.[Ag+]\",\n \"Sorbic Acid\": \"C/C=C/C=C/C(O)=O\",\n \"Succinic Acid\": \"O=C(O)CCC(O)=O\",\n \"Sulfanilic Acid\": \"O=S(O)(C1=CC=C(N)C=C1)=O\",\n \"Tetraisopropyl Orthotitanate\": \"CC(O[Ti](OC(C)C)(OC(C)C)OC(C)C)C\",\n \"Thioacetic Acid\": \"CC(O)=S\",\n \"Thioglycolic Acid\": \"SCC(O)=O\",\n \"Thulium(III) Trifluoromethanesulfonate\": \"O=S(C(F)(F)F)([O-])=O.O=S(C(F)(F)F)([O-])=O.O=S(C(F)(F)F)([O-])=O.[Tm+3]\",\n \"Tin(IV) Chloride\": \"[Sn+4].[Cl-].[Cl-].[Cl-].[Cl-]\",\n \"Titanium(IV) Chloride\": \"[Ti+4].[Cl-].[Cl-].[Cl-].[Cl-]\",\n \"Tribromoacetic Acid\": \"O=C(O)C(Br)(Br)Br\",\n \"Trichloroacetic Acid\": \"O=C(O)C(Cl)(Cl)Cl\",\n \"Trifluoroacetic Acid\": \"O=C(O)C(F)(F)F\",\n \"Trifluoromethanesulfonic Acid\": \"O=S(C(F)(F)F)(O)=O\",\n \"Ytterbium(III) Trifluoromethanesulfonate Hydrate\": \"O=S(C(F)(F)F)([O-])=O.O=S(C(F)(F)F)([O-])=O.O=S(C(F)(F)F)([O-])=O.[H]O[H].[Yb+3]\",\n \"Yttrium(III) Trifluoromethanesulfonate\": \"O=S(C(F)(F)F)([O-])=O.O=S(C(F)(F)F)([O-])=O.O=S(C(F)(F)F)([O-])=O.[Y+3]\",\n \"Zinc(II) Trifluoromethanesulfonate\": \"O=S(C(F)(F)F)([O-])=O.O=S(C(F)(F)F)([O-])=O.[Zn+2]\",\n}","export const organocatalysts = {\n \"(-)-(5aS,10bR)-5a,10b-Dihydro-2-(2,4,6-trimethylphenyl)-4H,6H-indeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazinium Chloride Monohydrate\": \"CC1=C(N2N=C3[N+]([C@@]4([H])[C@@](CC5=C4C=CC=C5)([H])OC3)=C2)C(C)=CC(C)=C1.[H]O[H].[Cl-]\",\n \"(-)-10-Camphorsulfonic Acid\": \"O=C(CC(C(C)1C)CC2)C21CS(=O)(O)=O\",\n \"(-)-4,5-Bis[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolane\": \"CC1(C)OC(C(C2=CC=CC=C2)(O)C3=CC=CC=C3)C(C(C4=CC=CC=C4)(O)C5=CC=CC=C5)O1\",\n \"(-)-Benzotetramisole\": \"C12=N[C@@H](C3=CC=CC=C3)CN1C4=CC=CC=C4S2\",\n \"(+)-(5aR,10bS)-5a,10b-Dihydro-2-(2,4,6-trimethylphenyl)-4H,6H-indeno[2,1-b][1,2,4]triazolo[4,3-d][1,4]oxazinium Chloride Monohydrate\": \"CC1=C(N2N=C3[N+]([C@]4([H])[C@](CC5=C4C=CC=C5)([H])OC3)=C2)C(C)=CC(C)=C1.[H]O[H].[Cl-]\",\n \"(+)-10-Camphorsulfonic Acid\": \"O=C(CC(C(C)1C)CC2)C21CS(=O)(O)=O\",\n \"(+)-4,5-Bis[hydroxy(diphenyl)methyl]-2,2-dimethyl-1,3-dioxolane\": \"CC1(C)OC(C(C2=CC=CC=C2)(O)C3=CC=CC=C3)C(C(C4=CC=CC=C4)(O)C5=CC=CC=C5)O1\",\n \"(+)-4,5-Bis[hydroxy(diphenyl)methyl]-2-methyl-2-phenyl-1,3-dioxolane\": \"CC1(C2=CC=CC=C2)OC(C(C3=CC=CC=C3)(O)C4=CC=CC=C4)C(C(C5=CC=CC=C5)(O)C6=CC=CC=C6)O1\",\n \"(11bS)-2,6-Bis[bis[3,5-bis(trifluoromethyl)phenyl]hydroxymethyl]-3,5-dihydrospiro[4H-dinaphth[2,1-c:1',2'-e]azepine-4,4'-morpholinium] Bromide\": \"OC(C1=C2C(C3=C4C=CC=CC4=CC(C(C5=CC(C(F)(F)F)=CC(C(F)(F)F)=C5)(C6=CC(C(F)(F)F)=CC(C(F)(F)F)=C6)O)=C3C(Br)[N]7(CCOCC7)C2)=C8C=CC=CC8=C1)(C9=CC(C(F)(F)F)=CC(C(F)(F)F)=C9)C%10=CC(C(F)(F)F)=CC(C(F)(F)F)=C%10\",\n \"(1R,3S,5R,7R,8aS)-7-Ethylhexahydro-1-(6-hydroxy-4-quinolinyl)-3,7-methano-1H-pyrrolo[2,1-c][1,4]oxazine\": \"OC1=CC=C2N=CC=C([C@H]3O[C@](C4)([H])C[N@@]5[C@@]3([H])C[C@@]4(CC)C5)C2=C1\",\n \"(2R,5R)-2,5-Diphenylpyrrolidine\": \"[C@@H]1(C2=CC=CC=C2)N[C@@H](C3=CC=CC=C3)CC1\",\n \"(2S)-N-[(1S)-1-(Hydroxydiphenylmethyl)-3-methylbutyl]-2-pyrrolidinecarboxamide\": \"O=C([C@H]1NCCC1)N[C@H](C(C2=CC=CC=C2)(O)C3=CC=CC=C3)CC(C)C\",\n \"(2S,3aS,7aS)-Octahydro-1H-indole-2-carboxylic Acid\": \"O=C([C@H]1N[C@@]2([H])CCCC[C@@]2([H])C1)O\",\n \"(2S,3R)-3,4-Dihydro-3-isopropyl-2-phenyl-2H-pyrimido[2,1-b]benzothiazole\": \"CC([C@H]1[C@@H](C2=CC=CC=C2)N=C3SC4=CC=CC=C4N3C1)C\",\n \"(2S,5S)-(-)-2-tert-Butyl-3-methyl-5-benzyl-4-imidazolidinone\": \"O=C1N(C)[C@@H](C(C)(C)C)N[C@H]1CC2=CC=CC=C2\",\n \"(2S,5S)-2,5-Diphenylpyrrolidine\": \"[C@H]1(C2=CC=CC=C2)N[C@H](C3=CC=CC=C3)CC1\",\n \"(4R,5R)-1,3-Dimethyl-4,5-diphenyl-2-[(S)-1-benzyl-2-hydroxyethylimino]imidazolidine\": \"OC[C@H](CC1=CC=CC=C1)N=C2N(C)[C@H](C3=CC=CC=C3)[C@@H](C4=CC=CC=C4)N2C\",\n \"(4S,5S)-1,3-Dimethyl-4,5-diphenyl-2-[(R)-1-benzyl-2-hydroxyethylimino]imidazolidine\": \"OC[C@@H](CC1=CC=CC=C1)N=C2N(C)[C@@H](C3=CC=CC=C3)[C@H](C4=CC=CC=C4)N2C\",\n \"(R)-(-)-1-(2-Pyrrolidinylmethyl)pyrrolidine\": \"N1(C[C@@H]2NCCC2)CCCC1\",\n \"(R)-(-)-1,1'-Binaphthyl-2,2'-diyl Hydrogen Phosphate\": \"O=P1(OC2=CC=C3C=CC=CC3=C2C4=C5C=CC=CC5=CC=C4O1)O\",\n \"(R)-(-)-2-[Hydroxy(diphenyl)methyl]-1-methylpyrrolidine\": \"CN1[C@@H](C(C2=CC=CC=C2)(O)C3=CC=CC=C3)CCC1\",\n \"(R)-(-)-6,6'-Dibromo-1,1'-bi-2-naphthol\": \"OC1=CC=C2C=C(Br)C=CC2=C1C3=C4C=CC(Br)=CC4=CC=C3O\",\n \"(R)-(+)-1,1'-Bi-2-naphthol\": \"OC1=CC=C2C=CC=CC2=C1C3=C4C=CC=CC4=CC=C3O\",\n \"(R)-(+)-3,3'-Dibromo-5,5',6,6',7,7',8,8'-octahydro-1,1'-bi-2-naphthol\": \"OC1=C(Br)C=C2CCCCC2=C1C3=C4CCCCC4=CC(Br)=C3O\",\n \"(R)-(+)-5,5',6,6',7,7',8,8'-Octahydro-1,1'-bi-2-naphthol\": \"OC1=CC=C2CCCCC2=C1C3=C4CCCCC4=CC=C3O\",\n \"(R)-(+)-Indoline-2-carboxylic Acid\": \"O=C([C@@H]1NC2=C(C=CC=C2)C1)O\",\n \"(R)-(+)-α,α-Diphenyl-2-pyrrolidinemethanol Trimethylsilyl Ether\": \"C[Si](OC(C1=CC=CC=C1)(C2=CC=CC=C2)[C@@H]3NCCC3)(C)C\",\n \"(R)-2-(Methoxymethyl)pyrrolidine\": \"COC[C@@H]1NCCC1\",\n \"(R)-3,3'-Dibromo-1,1'-bi-2-naphthol\": \"OC1=C(Br)C=C2C=CC=CC2=C1C3=C4C=CC=CC4=CC(Br)=C3O\",\n \"(R)-Benzyl-2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazolium Tetrafluoroborate\": \"FC(C1=CC=C([N+]2=C(CC3=CC=CC=C3)N4C(CCC4)=N2)C=C1)(F)F.F[B-](F)(F)F\",\n \"(R,R)-2-Iodo-1,3-bis[1-(mesitylcarbamoyl)ethoxy]benzene\": \"C[C@H](C(NC1=C(C)C=C(C)C=C1C)=O)OC2=C(I)C(O[C@@H](C(NC3=C(C)C=C(C)C=C3C)=O)C)=CC=C2\",\n \"(S)-(-)-1,1'-Bi-2-naphthol\": \"OC1=CC=C2C=CC=CC2=C1C3=C4C=CC=CC4=CC=C3O\",\n \"(S)-(-)-1-Methyl-2-(1-piperidinomethyl)pyrrolidine\": \"CN1[C@H](CN2CCCCC2)CCC1\",\n \"(S)-(-)-2-(Diphenylmethyl)pyrrolidine\": \"[C@H]1(C(C2=CC=CC=C2)C3=CC=CC=C3)NCCC1\",\n \"(S)-(-)-2-Aminomethyl-1-ethylpyrrolidine\": \"CCN1[C@H](CN)CCC1\",\n \"(S)-(-)-3,3'-Dibromo-5,5',6,6',7,7',8,8'-octahydro-1,1'-bi-2-naphthol\": \"OC1=C(Br)C=C2CCCCC2=C1C3=C4CCCCC4=CC(Br)=C3O\",\n \"(S)-(-)-5,5',6,6',7,7',8,8'-Octahydro-1,1'-bi-2-naphthol\": \"OC1=CC=C2CCCCC2=C1C3=C4CCCCC4=CC=C3O\",\n \"(S)-(-)-Indoline-2-carboxylic Acid\": \"O=C([C@H]1NC2=C(C=CC=C2)C1)O\",\n \"(S)-(-)-α,α-Diphenyl-2-pyrrolidinemethanol\": \"OC(C1=CC=CC=C1)(C2=CC=CC=C2)[C@@H]3CCCN3\",\n \"(S)-(-)-α,α-Diphenyl-2-pyrrolidinemethanol Trimethylsilyl Ether\": \"C[Si](OC(C1=CC=CC=C1)(C2=CC=CC=C2)[C@H]3NCCC3)(C)C\",\n \"(S)-(+)-1-(2-Pyrrolidinylmethyl)pyrrolidine\": \"N1(C[C@H]2NCCC2)CCCC1\",\n \"(S)-(+)-1,1'-Binaphthyl-2,2'-diyl Hydrogen Phosphate\": \"O=P1(OC2=CC=C3C=CC=CC3=C2C4=C5C=CC=CC5=CC=C4O1)O\",\n \"(S)-(+)-2-(Anilinomethyl)pyrrolidine\": \"[C@H]1(CNC2=CC=CC=C2)NCCC1\",\n \"(S)-(+)-2-[Hydroxy(diphenyl)methyl]-1-methylpyrrolidine\": \"CN1[C@H](C(C2=CC=CC=C2)(O)C3=CC=CC=C3)CCC1\",\n \"(S)-(+)-6,6'-Dibromo-1,1'-bi-2-naphthol\": \"OC1=CC=C2C=C(Br)C=CC2=C1C3=C4C=CC(Br)=CC4=CC=C3O\",\n \"(S)-[4-(Pyridin-4-yl)-4,5-dihydro-3H-dinaphtho[2,1-c:1',2'-e]azepine-2,6-diyl]bis[bis[4-(tert-butyl)phenyl]methanol]\": \"OC(C1=C2CN(C3=CC=NC=C3)CC4=C(C(C5=CC=C(C(C)(C)C)C=C5)(C6=CC=C(C(C)(C)C)C=C6)O)C=C7C=CC=CC7=C4C2=C8C=CC=CC8=C1)(C9=CC=C(C(C)(C)C)C=C9)C%10=CC=C(C(C)(C)C)C=C%10\",\n \"(S)-2-(Aminomethyl)pyrrolidine\": \"NC[C@H]1NCCC1\",\n \"(S)-2-(Methoxymethyl)pyrrolidine\": \"COC[C@H]1NCCC1\",\n \"(S)-2-[(1-Methyl-2-pyrrolidinyl)methyl]isoindoline Dihydrochloride\": \"CN1[C@H](CN2CC3=C(C=CC=C3)C2)CCC1.[H]Cl.[H]Cl\",\n \"(S)-3,3'-Dibromo-1,1'-bi-2-naphthol\": \"OC1=C(Br)C=C2C=CC=CC2=C1C3=C4C=CC=CC4=CC(Br)=C3O\",\n \"(S)-3-[1-(4-Methoxybenzenesulfonyl)-(4S,5S)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]-1,1'-binaphthalene-2,2'-diyl Hydrogen Phosphate\": \"O=P1(OC2=C(C3=N[C@@H](C4=CC=CC=C4)[C@H](C5=CC=CC=C5)N3S(=O)(C6=CC=C(OC)C=C6)=O)C=C7C=CC=CC7=C2C8=C9C=CC=CC9=CC=C8O1)O\",\n \"(S)-5-(Pyrrolidin-2-yl)-1H-tetrazole\": \"C1([C@H]2NCCC2)=NN=NN1\",\n \"(S)-Benzyl-2-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazolium Tetrafluoroborate\": \"FC(C1=CC=C([N+]2=C(CC3=CC=CC=C3)N4C(CCC4)=N2)C=C1)(F)F.F[B-](F)(F)F\",\n \"1,2,3,4-Tetrahydroquinoline\": \"C12=C(NCCC2)C=CC=C1\",\n \"1,4-Dimethyl-1,2,4-triazolium Iodide\": \"CN1C=N[N+](C)=C1.[I-]\",\n \"1-[Bis(trifluoromethanesulfonyl)methyl]-2,3,4,5,6-pentafluorobenzene\": \"FC1=C(C(S(=O)(C(F)(F)F)=O)S(=O)(C(F)(F)F)=O)C(F)=C(F)C(F)=C1F\",\n \"2,2,6,6-Tetramethylpiperidine 1-Oxyl Free Radical\": \"CC1(C)CCCC(C)(C)N1[O]\",\n \"2,4,6-Trimethylpyridinium p-Toluenesulfonate\": \"CC1=[NH+]C(C)=CC(C)=C1.CC2=CC=C(S(=O)([O-])=O)C=C2\",\n \"2,4,6-Tris(3,4,5-trifluorophenyl)boroxin\": \"FC1=C(F)C(F)=CC(B2OB(C3=CC(F)=C(F)C(F)=C3)OB(C4=CC(F)=C(F)C(F)=C4)O2)=C1\",\n \"2,6-Bis[(2,2,6,6-tetramethyl-1-piperidinyl)methyl]phenylboronic Acid (contains varying amounts of Anhydride)\": \"OB(C1=C(CN2C(C)(C)CCCC2(C)C)C=CC=C1CN3C(C)(C)CCCC3(C)C)O\",\n \"2-[(2,2,6,6-Tetramethyl-1-piperidyl)methyl]phenylboronic Acid (contains varying amounts of Anhydride)\": \"OB(C1=CC=CC=C1CN2C(C)(C)CCCC2(C)C)O\",\n \"2-Hydroxy-2-azaadamantane\": \"ON1C2CC3CC(C2)CC1C3\",\n \"3,5-Bis(trifluoromethyl)phenylboronic Acid (contains varying amounts of Anhydride)\": \"OB(C1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)O\",\n \"4-[2-[2-(4-Iodophenoxy)ethoxy]carbonyl]benzoyloxy-2,2,6,6-tetramethylpiperidin-1-oxyl\": \"[O]N1C(C)(C)CC(OC(C2=CC=CC=C2C(OCCOC3=CC=C(I)C=C3)=O)=O)CC1(C)C\",\n \"4-Acetamido-2,2,6,6-tetramethyl-1-oxopiperidinium Tetrafluoroborate\": \"O=[N+]1C(C)(C)CC(NC(C)=O)CC1(C)C.F[B-](F)(F)F\",\n \"4-Acetamido-2,2,6,6-tetramethylpiperidine 1-Oxyl Free Radical [Catalyst for Oxidation]\": \"CC1(C)CC(NC(C)=O)CC(C)(C)N1[O]\",\n \"4-Hydroxy-2,2,6,6-tetramethylpiperidine 1-Oxyl Benzoate Free Radical [Catalyst for Oxidation]\": \"CC1(C)CC(OC(C2=CC=CC=C2)=O)CC(C)(C)N1[O]\",\n \"4-Methoxy-2,2,6,6-tetramethylpiperidine 1-Oxyl Free Radical [Catalyst for Oxidation]\": \"CC1(C)CC(OC)CC(C)(C)N1[O]\",\n \"6,10-Dibenzyl-N,N'-dimethyl-N,N,N',N'-tetrakis(4-methylbenzyl)-1,4-dioxaspiro[4.5]decane-(2R,3R)-diylbis(methylammonium) Bis(tetrafluoroborate)\": \"C[N+](CC1=CC=C(C)C=C1)(CC2=CC=C(C)C=C2)(C)[C@@H]3OC4(C(CC5=CC=CC=C5)CCCC4(CC6=CC=CC=C6)[N+](CC7=CC=C(C)C=C7)(CC8=CC=C(C)C=C8)(C)C)OC3.F[B-](F)(F)F.F[B-](F)(F)F\",\n \"6,10-Dibenzyl-N,N'-dimethyl-N,N,N',N'-tetrakis(4-methylbenzyl)-1,4-dioxaspiro[4.5]decane-(2S,3S)-diylbis(methylammonium) Tetrafluoroborate\": \"C[N+](CC1=CC=C(C)C=C1)(CC2=CC=C(C)C=C2)(C)[C@H]3OC4(C(CC5=CC=CC=C5)CCCC4(CC6=CC=CC=C6)[N+](CC7=CC=C(C)C=C7)(CC8=CC=C(C)C=C8)(C)C)OC3.F[B-](F)(F)F.F[B-](F)(F)F\",\n \"6,7-Dihydro-2-(2,4,6-trimethylphenyl)-5H-pyrrolo[2,1-c]-1,2,4-triazolium Perchlorate\": \"CC1=C([N+]2=CN3C(CCC3)=N2)C(C)=CC(C)=C1.O=Cl(=O)([O-])=O\",\n \"Cinchonidine\": \"O[C@@H]([C@H]1C[C@H]2[C@H](C[N@@]1CC2)C=C)C3=CC=NC4=CC=CC=C34\",\n \"Cinchonidine Dihydrochloride\": \"O[C@@H]([C@H]1C[C@H]2[C@H](C[N@@]1CC2)C=C)C3=CC=NC4=CC=CC=C34.[H]Cl.[H]Cl\",\n \"Cinchonidine Sulfate Dihydrate\": \"O[C@@H]([C@H]1C[C@H]2[C@H](C[N@@]1CC2)C=C)C3=CC=NC4=CC=CC=C34.O=S(O)(O)=O.[H]O[H].[H]O[H]\",\n \"Cinchonine\": \"O[C@H]([C@@H]1C[C@H]2[C@H](C[N@@]1CC2)C=C)C3=CC=NC4=CC=CC=C34\",\n \"Cinchonine Hydrochloride Hydrate\": \"O[C@H]([C@@H]1C[C@H]2[C@H](C[N@@]1CC2)C=C)C3=CC=NC4=CC=CC=C34.[H]Cl.[H]O[H]\",\n \"D-(-)-Leucinol\": \"N[C@H](CC(C)C)CO\",\n \"D-(+)-Threonine\": \"N[C@H]([C@@H](O)C)C(O)=O\",\n \"(R)-5,5-Diphenyl-2-methyl-3,4-propano-1,3,2-oxazaborolidine\": \"CB1OC(C2=CC=CC=C2)(C3=CC=CC=C3)[C@]4([H])N1CCC4\",\n \"(S)-5,5-Diphenyl-2-methyl-3,4-propano-1,3,2-oxazaborolidine\": \"CB1OC(C2=CC=CC=C2)(C3=CC=CC=C3)[C@@]4([H])N1CCC4\",\n \"D-Alanine\": \"N[C@H](C)C(O)=O\",\n \"Dimesitylammonium Pentafluorobenzenesulfonate\": \"CC1=CC(C)=CC(C)=C1[NH2+]C2=C(C)C=C(C)C=C2C.O=S(C3=C(F)C(F)=C(F)C(F)=C3F)([O-])=O\",\n \"Diphenylammonium Trifluoromethanesulfonate\": \"O=S(C(F)(F)F)([O-])=O.C1([NH2+]C2=CC=CC=C2)=CC=CC=C1\",\n \"Dipotassium (R)-1,1'-Binaphthyl-2,2'-disulfonate\": \"O=S(C1=CC=C2C=CC=CC2=C1C3=C4C=CC=CC4=CC=C3S(=O)([O-])=O)([O-])=O.[K+].[K+]\",\n \"D-Methionine\": \"N[C@H](CCSC)C(O)=O\",\n \"D-Phenylalanine\": \"N[C@H](CC1=CC=CC=C1)C(O)=O\",\n \"D-Pipecolic Acid\": \"O=C(O)C1CCCCN1\",\n \"D-Proline\": \"O=C(O)[C@@H]1NCCC1\",\n \"D-Tryptophan\": \"N[C@H](CC1=CNC2=C1C=CC=C2)C(O)=O\",\n \"Ethyl (11bR)-4-Amino-2,6-bis(3,5-di-tert-butylphenyl)-4,5-dihydro-3H-cyclohepta[1,2-a:7,6-a']dinaphthalene-4-carboxylate\": \"O=C(C1(N)CC2=C(C3=CC(C(C)(C)C)=CC(C(C)(C)C)=C3)C=C4C=CC=CC4=C2C5=C6C=CC=CC6=CC(C7=CC(C(C)(C)C)=CC(C(C)(C)C)=C7)=C5C1)OCC\",\n \"Hydroquinidine Hydrochloride\": \"O[C@H]([C@@H]1C[C@H]2[C@H](C[N@@]1CC2)CC)C3=CC=NC4=CC=C(OC)C=C34.[H]Cl\",\n \"I0801 (S)-4-Isopropyl-3-(1-naphthylmethyl)-2,5,5-triphenyl-1,3,2-oxazaborolidine (ca. 6% in Toluene, ca. 0.1mol/L)\": \"CC([C@@H]1N(CC2=C3C=CC=CC3=CC=C2)B(C4=CC=CC=C4)OC1(C5=CC=CC=C5)C6=CC=CC=C6)C\",\n \"Indoline\": \"C12=C(NCC2)C=CC=C1\",\n \"L-(-)-Threonine\": \"N[C@@H]([C@H](O)C)C(O)=O\",\n \"L-(+)-Leucinol\": \"N[C@@H](CC(C)C)CO\",\n \"L-Alanine\": \"N[C@@H](C)C(O)=O\",\n \"L-Azetidine-2-carboxylic Acid [Antagonist of L-Proline]\": \"O=C(C1NCC1)O\",\n \"L-Methionine\": \"N[C@@H](CCSC)C(O)=O\",\n \"L-Phenylalanine\": \"N[C@@H](CC1=CC=CC=C1)C(O)=O\",\n \"L-Pipecolic Acid\": \"O=C(O)C1CCCCN1\",\n \"L-Prolinamide\": \"O=C(N)[C@H]1NCCC1\",\n \"L-Proline\": \"O=C(O)[C@H]1NCCC1\",\n \"L-Thioproline\": \"O=C(O)[C@H]1NCCC1=S\",\n \"L-Tryptophan\": \"N[C@@H](CC1=CNC2=C1C=CC=C2)C(O)=O\",\n \"N-(2-Thiophenesulfonyl)-L-prolinamide\": \"O=C(NS(=O)(C1=CC=CS1)=O)[C@H]2NCCC2\",\n \"N-(9-Deoxy-epi-cinchonidin-9-yl)picolinamide\": \"O=C(N[C@H]([C@H]1N2CCC(C1)C(C=C)C2)C3=CC=NC4=CC=CC=C34)C5=NC=CC=C5\",\n \"N-(9-Deoxy-epi-cinchonin-9-yl)picolinamide\": \"O=C(N[C@@H](C1N2CCC(C1)C(C=C)C2)C3=CC=NC4=CC=CC=C34)C5=NC=CC=C5\",\n \"N-[(11bS)-4,5-Dihydro-3H-dinaphtho[2,1-c:1',2'-e]azepin-2-yl]trifluoromethanesulfonamide\": \"O=S(C(F)(F)F)(NC1=C2CNCC3=CC=C4C=CC=CC4=C3C2=C5C=CC=CC5=C1)=O\",\n \"N-[(9S)-8α-Cinchonan-9-yl]quinoline-8-sulfonamide\": \"O=S(C1=C2N=CC=CC2=CC=C1)(N[C@H]([C@@H]3C[C@H]4[C@H](C[N@@]3CC4)C=C)C5=CC=NC6=CC=CC=C56)=O\",\n \"N-Benzylcinchonidinium Chloride [Chiral Phase-Transfer Catalyst]\": \"O[C@@H]([C@H]1C[C@H]2[C@H](C[N@@]1CC2)C=C)C3=CC=[N+](CC4=CC=CC=C4)C5=CC=CC=C35.[Cl-]\",\n \"N-Benzylcinchoninium Chloride [Chiral Phase-Transfer Catalyst]\": \"O[C@H]([C@@H]1C[C@H]2[C@H](C[N@@]1CC2)C=C)C3=CC=[N+](CC4=CC=CC=C4)C5=CC=CC=C35.[Cl-]\",\n \"N-Benzylquinidinium Chloride [Chiral Phase-Transfer Catalyst]\": \"O[C@H]([C@@H]1C[C@H]2[C@H](C[N@@]1CC2)C=C)C3=CC=[N+](CC4=CC=CC=C4)C5=CC=C(OC)C=C35.[Cl-]\",\n \"N-Benzylquininium Chloride [Chiral Phase-Transfer Catalyst]\": \"O[C@@H]([C@H]1C[C@H]2[C@H](C[N@@]1CC2)C=C)C3=CC=[N+](CC4=CC=CC=C4)C5=CC=C(OC)C=C35.[Cl-]\",\n \"O-TBDPS-D-Thr-N-Boc-L-tert-Leu-Diphenylphosphine\": \"O=C(OC(C)(C)C)N[C@@H](C(C)(C)C)C(N[C@H]([C@@H](O[Si](C1=CC=CC=C1)(C(C)(C)C)C2=CC=CC=C2)C)CP(C3=CC=CC=C3)C4=CC=CC=C4)=O\",\n \"O-tert-Butyl-L-threonine\": \"N[C@@H]([C@H](OC(C)(C)C)C)C(O)=O\",\n \"Pentafluoroanilinium Trifluoromethanesulfonate\": \"F[N+](F)(F)C1=CC=CC(F)=C1F.O=S(C(F)(F)F)([O-])=O\",\n \"Pyridinium 3-Nitrobenzenesulfonate\": \"O=S(C1=CC=CC([N+]([O-])=O)=C1)([O-])=O.C2=CC=CC=[NH+]2\",\n \"Quincoridine\": \"OC[C@H]1C[C@@H]2CC[N@]1C[C@@H]2C=C\",\n \"Quincorine\": \"OC[C@@H]1C[C@@H]2CC[N@]1C[C@@H]2C=C\",\n \"Quinidine\": \"O[C@H]([C@@H]1C[C@H]2[C@H](C[N@@]1CC2)C=C)C3=CC=NC4=CC=C(OC)C=C34\",\n \"Quinidine Sulfate Dihydrate\": \"O[C@H]([C@@H]1C[C@H]2[C@H](C[N@@]1CC2)C=C)C3=CC=NC4=CC=C(OC)C=C34.O=S(O)(O)=O.[H]O[H].[H]O[H]\",\n \"Quinine\": \"O[C@@H]([C@H]1C[C@H]2[C@H](C[N@@]1CC2)C=C)C3=CC=NC4=CC=C(OC)C=C34\",\n \"Quinine Hydrochloride Dihydrate\": \"O[C@@H]([C@H]1C[C@H]2[C@H](C[N@@]1CC2)C=C)C3=CC=NC4=CC=C(OC)C=C34.[H]Cl.[H]O[H].[H]O[H]\",\n \"trans-4-(tert-Butyldiphenylsilyloxy)-L-proline\": \"O=C(O)[C@H]1NC[C@H](O[Si](C2=CC=CC=C2)(C(C)(C)C)C3=CC=CC=C3)C1\",\n \"trans-4-Fluoro-L-proline\": \"O=C(O)[C@H]1NC[C@H](F)C1\",\n \"α-Methyl-L-proline\": \"O=C(O)[C@@]1(C)NCCC1\",\n}","export const organoboron = {\n \"1-Cyclopentenylboronic Acid\": \"OB(C1=CCCC1)O\",\n \"2-(2-Bromophenyl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborine\": \"BrC(C=CC=C1)=C1B(N2)NC3=CC=CC4=C3C2=CC=C4\",\n \"2-(3-Bromophenyl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborine\": \"BrC1=CC=CC(B(N2)NC3=CC=CC4=C3C2=CC=C4)=C1\",\n \"2-(4-Bromophenyl)-2,3-dihydro-1H-naphtho[1,8-de][1,3,2]diazaborine\": \"BrC1=CC=C(C=C1)B(N2)NC3=CC=CC4=CC=CC2=C43\",\n \"2-Phenylethylboronic Acid\": \"OB(CCC1=CC=CC=C1)O\",\n \"Butylboronic Acid\": \"CCCCB(O)O\",\n \"Cyclohexylboronic Acid\": \"OB(C1CCCCC1)O\",\n \"Cyclopentylboronic Acid\": \"OB(C1CCCC1)O\",\n \"Ethylboronic Acid\": \"CCB(O)O\",\n \"Hexylboronic Acid\": \"CCCCCCB(O)O\",\n \"Isobutylboronic Acid \": \"CC(C)CB(O)O\",\n \"Isopropylboronic Acid\": \"CC(B(O)O)C\",\n \"Methylboronic Acid\": \"CB(O)O\",\n \"n-Octylboronic Acid\": \"CCCCCCCCB(O)O\",\n \"Pentylboronic Acid\": \"CCCCCB(O)O\",\n \"Potassium (2-Formylphenyl)trifluoroborate\": \"F[B-](F)(C1=CC=CC=C1C=O)F.[K+]\",\n \"Potassium (2-Methoxyphenyl)trifluoroborate\": \"F[B-](F)(C1=CC=CC=C1OC)F.[K+]\",\n \"Potassium (3-Cyanophenyl)trifluoroborate\": \"F[B-](F)(C1=CC=CC(C#N)=C1)F.[K+]\",\n \"Potassium (3-Methoxyphenyl)trifluoroborate\": \"F[B-](F)(C1=CC=CC(OC)=C1)F.[K+]\",\n \"Potassium (3-Nitrophenyl)trifluoroborate\": \"F[B-](F)(C1=CC=CC([N+]([O-])=O)=C1)F.[K+]\",\n \"Potassium (4-Cyanophenyl)trifluoroborate\": \"F[B-](F)(C1=CC=C(C#N)C=C1)F.[K+]\",\n \"Potassium (4-Methoxyphenyl)trifluoroborate\": \"F[B-](F)(C1=CC=C(OC)C=C1)F.[K+]\",\n \"Potassium (Acetoxymethyl)trifluoroborate\": \"F[B-](F)(COC(C)=O)F.[K+]\",\n \"Potassium (Bromomethyl)trifluoroborate\": \"F[B-](F)(CBr)F.[K+]\",\n \"Potassium (Iodomethyl)trifluoroborate\": \"F[B-](F)(CI)F.[K+]\",\n \"Potassium (Methoxymethyl)trifluoroborate\": \"F[B-](F)(COC)F.[K+]\",\n \"Potassium [[(tert-Butoxycarbonyl)amino]methyl]trifluoroborate\": \"F[B-](F)(CNC(OC(C)(C)C)=O)F.[K+]\",\n \"Potassium 2-Thienyltrifluoroborate\": \"F[B-](F)(C1=CC=CS1)F.[K+]\",\n \"Potassium 3-Pyridyltrifluoroborate\": \"F[B-](F)(C1=CC=CN=C1)F.[K+]\",\n \"Potassium 4-Pyridyltrifluoroborate\": \"F[B-](F)(C1=CC=NC=C1)F.[K+]\",\n \"Potassium Allyltrifluoroborate\": \"F[B-](F)(CC=C)F.[K+]\",\n \"Potassium Cyclopropyltrifluoroborate\": \"F[B-](F)(C1CC1)F.[K+]\",\n \"Potassium Phenyltrifluoroborate\": \"F[B-](F)(C1=CC=CC=C1)F.[K+]\",\n \"Potassium Trifluoro(trifluoromethyl)borate\": \"FC([B-](F)(F)F)(F)F.[K+]\",\n \"Potassium Vinyltrifluoroborate\": \"F[B-](F)(C=C)F.[K+]\",\n \"Potassium o-Tolyltrifluoroborate\": \"F[B-](F)(C1=CC=CC=C1C)F.[K+]\",\n \"Potassium p-Tolyltrifluoroborate\": \"F[B-](F)(C1=CC=C(C)C=C1)F.[K+]\",\n \"Propylboronic Acid\": \"CCCB(O)O\",\n \"Sodium (Trihydroxy)phenylborate\": \"O[B-](O)(O)C1=CC=CC=C1.[Na+]\",\n}","export const metallorganics = {\n \"(1-Bromovinyl)trimethylsilane\": \"C[Si](C)(C(Br)=C)C\",\n \"(1E)-1-tert-Butoxy-1-(trimethylsilyloxy)propene\": \"C/C=C(OC(C)(C)C)/O[Si](C)(C)C\",\n \"(1R,3R)-5-(Bromomethylene)-1,3-bis(tert-butyldimethylsilyloxy)cyclohexane\": \"C[Si](O[C@H](C1)C[C@H](O[Si](C)(C(C)(C)C)C)CC1=CBr)(C(C)(C)C)C\",\n \"(2,5-Dimethylphenyl)magnesium Bromide\": \"Br[Mg]C1=CC(C)=CC=C1C\",\n \"(2-Bromo-4,5-dimethoxyphenoxy)trimethylsilane\": \"C[Si](C)(OC1=CC(OC)=C(OC)C=C1Br)C\",\n \"(2-Bromoallyl)trimethylsilane\": \"C[Si](C)(CC(Br)=C)C\",\n \"(2-Bromophenylethynyl)trimethylsilane\": \"C[Si](C)(C#CC1=CC=CC=C1Br)C\",\n \"(3,5-Dibromophenyl)triphenylsilane\": \"BrC1=CC(Br)=CC([Si](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)=C1\",\n \"(3-Bromopropoxy)(tert-butyl)dimethylsilane\": \"C[Si](C(C)(C)C)(OCCCBr)C\",\n \"(3-Bromopropyl)trimethoxysilane\": \"CO[Si](OC)(CCCBr)OC\",\n \"(3-Chloropropyl)tris(trimethylsilyloxy)silane\": \"C[Si](O[Si](O[Si](C)(C)C)(CCCCl)O[Si](C)(C)C)(C)C\",\n \"(3-Mercaptopropyl)triethoxysilane\": \"CCO[Si](OCC)(CCCS)OCC\",\n \"(3-Mercaptopropyl)trimethoxysilane\": \"CO[Si](OC)(CCCS)OC\",\n \"(Bromomethyl)trimethylsilane\": \"C[Si](C)(CBr)C\",\n \"(Chloromethyl)isopropoxydimethylsilane\": \"C[Si](OC(C)C)(CCl)C\",\n \"(Chloromethyl)trimethylsilane\": \"C[Si](C)(CCl)C\",\n \"(E)-Trimethyl(3,3,3-trifluoro-1-propenyl)silane\": \"FC(F)(F)/C=C/[Si](C)(C)C\",\n \"(Iodomethyl)trimethylsilane\": \"C[Si](C)(CI)C\",\n \"(m-Terphenyl-5'-yl)trimethylsilane\": \"C[Si](C)(C1=CC(C2=CC=CC=C2)=CC(C3=CC=CC=C3)=C1)C\",\n \"(Phenylthio)trimethylsilane\": \"C[Si](C)(SC1=CC=CC=C1)C\",\n \"(Phenylthiomethyl)trimethylsilane\": \"C[Si](C)(CSC1=CC=CC=C1)C\",\n \"(tert-Butyldimethylsilyl)acetylene\": \"C#C[Si](C)(C(C)(C)C)C\",\n \"(tert-Butyldimethylsilyloxy)malononitrile\": \"N#CC(O[Si](C)(C(C)(C)C)C)C#N\",\n \"(Trifluoromethyl)trimethylsilane\": \"C[Si](C)(C(F)(F)F)C\",\n \"[(4-Bromobenzyl)oxy](tert-butyl)dimethylsilane\": \"C[Si](C(C)(C)C)(OCC1=CC=C(Br)C=C1)C\",\n \"[(4-Methoxyphenyl)ethynyl]trimethylsilane\": \"C[Si](C)(C#CC1=CC=C(OC)C=C1)C\",\n \"[3-(6-Aminohexylamino)propyl]trimethoxysilane\": \"CO[Si](OC)(CCCNCCCCCCN)OC\",\n \"[3-(Diethylamino)propyl]trimethoxysilane\": \"CO[Si](OC)(CCCN(CC)CC)OC\",\n \"[3-(N,N-Dimethylamino)propyl]trimethoxysilane\": \"CO[Si](OC)(CCCN(C)C)OC\",\n \"[3-(Trimethoxysilyl)propyl]succinic Anhydride\": \"O=C(O1)C(CCC[Si](OC)(OC)OC)CC1=O\",\n \"1-(Triisopropylsilyl)-1-propyne\": \"CC#C[Si](C(C)C)(C(C)C)C(C)C\",\n \"1-(Trimethoxysilyl)naphthalene\": \"CO[Si](C1=C2C=CC=CC2=CC=C1)(OC)OC\",\n \"1-(Trimethylsilyl)-1-pentyne\": \"CCCC#C[Si](C)(C)C\",\n \"1-(Trimethylsilyl)-1-propyne\": \"CC#C[Si](C)(C)C\",\n \"1,1,1,3,3-Pentamethyldisiloxane\": \"C[SiH](C)O[Si](C)(C)C\",\n \"1,1,1,3,5,5,5-Heptamethyl-3-[(trimethylsilyl)oxy]trisiloxane\": \"C[Si](O[Si](O[Si](C)(C)C)(C)O[Si](C)(C)C)(C)C\",\n \"1,1,1,3,5,5,5-Heptamethyltrisiloxane\": \"C[Si](C)(C)O[SiH](C)O[Si](C)(C)C\",\n \"1,1,1,3,5,7,7,7-Octamethyltetrasiloxane\": \"C[Si](C)(C)O[SiH](C)O[SiH](C)O[Si](C)(C)C\",\n \"1,1,1,5,5,5-Hexamethyl-3-[(trimethylsilyl)oxy]-3-vinyltrisiloxane\": \"C=C[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](C)(C)C\",\n \"1,1,1,5,5,5-Hexamethyl-3-phenyl-3-(trimethylsilyloxy)trisiloxane\": \"C[Si](O[Si](O[Si](C)(C)C)(C1=CC=CC=C1)O[Si](C)(C)C)(C)C\",\n \"1,1,2,2-Tetrachloro-1,2-dimethyldisilane\": \"C[Si](Cl)(Cl)[Si](Cl)(Cl)C\",\n \"1,1,2,2-Tetraphenyldisilane\": \"[SiH](C1=CC=CC=C1)(C2=CC=CC=C2)[SiH](C3=CC=CC=C3)C4=CC=CC=C4\",\n \"1,1,2,3,4,5-Hexaphenylsilole\": \"C1(C2=CC=CC=C2)=C(C3=CC=CC=C3)C(C4=CC=CC=C4)=C(C5=CC=CC=C5)[Si]1(C6=CC=CC=C6)C7=CC=CC=C7\",\n \"1,1,3,3,5,5,7,7,9,9,11,11,13,13-Tetradecamethylheptasiloxane\": \"C[SiH](C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[SiH](C)C\",\n \"1,1,3,3,5,5,7,7,9,9,11,11-Dodecamethylhexasiloxane\": \"C[SiH](C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[SiH](C)C\",\n \"1,1,3,3,5,5-Hexaethoxy-1,3,5-trisilacyclohexane\": \"CCO[Si]1(OCC)C[Si](OCC)(OCC)C[Si](OCC)(OCC)C1\",\n \"1,1,3,3,5,5-Hexamethyltrisiloxane\": \"C[SiH](C)O[Si](C)(C)O[SiH](C)C\",\n \"1,1,3,3-Tetramethyl-1,3-diphenyldisiloxane\": \"C[Si](C1=CC=CC=C1)(C)O[Si](C)(C)C2=CC=CC=C2\",\n \"1,1,3,3-Tetramethyldisiloxane\": \"C[SiH](C)O[SiH](C)C\",\n \"1,1-Dimethyl-1,3-dihydrobenzo[c][1,2]oxasilole\": \"C[Si]1(C)OCC2=CC=CC=C12\",\n \"1,2-Bis(trichlorosilyl)ethane\": \"Cl[Si](CC[Si](Cl)(Cl)Cl)(Cl)Cl\",\n \"1,2-Bis(triethoxysilyl)ethane\": \"CCO[Si](CC[Si](OCC)(OCC)OCC)(OCC)OCC\",\n \"1,2-Bis(trimethylsilyl)benzene\": \"C[Si](C1=CC=CC=C1[Si](C)(C)C)(C)C\",\n \"1,2-Dichlorotetramethyldisilane\": \"Cl[Si](C)(C)[Si](C)(C)Cl\",\n \"1,3,5-Tris(3,3,3-trifluoropropyl)-1,3,5-trimethylcyclotrisiloxane\": \"C[Si]1(CCC(F)(F)F)O[Si](C)(CCC(F)(F)F)O[Si](C)(CCC(F)(F)F)O1\",\n \"1,3-Bis(4-hydroxybutyl)tetramethyldisiloxane\": \"OCCCC[Si](C)(C)O[Si](C)(C)CCCCO\",\n \"1,3-Bis(chloromethyl)tetramethyldisiloxane\": \"ClC[Si](C)(C)O[Si](C)(C)CCl\",\n \"1,3-Bis[(trimethylsilyl)ethynyl]benzene\": \"C[Si](C#CC1=CC(C#C[Si](C)(C)C)=CC=C1)(C)C\",\n \"1,3-Dimethoxy-1,1,3,3-tetraphenyldisiloxane\": \"CO[Si](C1=CC=CC=C1)(C2=CC=CC=C2)O[Si](C3=CC=CC=C3)(OC)C4=CC=CC=C4\",\n \"1,3-Divinyltetramethyldisiloxane\": \"C=C[Si](C)(C)O[Si](C)(C)C=C\",\n \"1,4-Bis(dimethylsilyl)benzene\": \"C[SiH](C1=CC=C([SiH](C)C)C=C1)C\",\n \"1,4-Bis(trimethylsilyl)-1,3-butadiyne\": \"C[Si](C#CC#C[Si](C)(C)C)(C)C\",\n \"1,5-Dichloro-1,1,3,3,5,5-hexamethyltrisiloxane\": \"C[Si](C)(Cl)O[Si](C)(C)O[Si](C)(Cl)C\",\n \"1,5-Dimethyl-2,4-bis[2-(trimethylsilyl)ethynyl]benzene\": \"C[Si](C#CC1=C(C)C=C(C)C(C#C[Si](C)(C)C)=C1)(C)C\",\n \"1,7-Dichloro-1,1,3,3,5,5,7,7-octamethyltetrasiloxane\": \"C[Si](C)(Cl)O[Si](C)(C)O[Si](C)(C)O[Si](C)(Cl)C\",\n \"1-[3-(Trimethoxysilyl)propyl]urea\": \"O=C(N)NCCC[Si](OC)(OC)OC\",\n \"1-Bromo-3-(trimethylsilyl)benzene\": \"C[Si](C1=CC(Br)=CC=C1)(C)C\",\n \"1-Bromo-4-(trimethylsilyl)benzene\": \"C[Si](C1=CC=C(Br)C=C1)(C)C\",\n \"1-Methoxy-3-(trimethylsilyloxy)-1,3-butadiene\": \"C=C(O[Si](C)(C)C)/C=C/OC\",\n \"1-Phenyl-2-(trimethylsilyl)acetylene\": \"C[Si](C#CC1=CC=CC=C1)(C)C\",\n \"2-(3,4-Epoxycyclohexyl)ethyltrimethoxysilane\": \"CO[Si](OC)(CCC1CC(O2)C2CC1)OC\",\n \"2-(Dimethylvinylsilyl)pyridine\": \"C=C[Si](C1=NC=CC=C1)(C)C\",\n \"2-(Trimethylsilylethynyl)thiophene\": \"C[Si](C#CC1=CC=CS1)(C)C\",\n \"2,4,6,8-Tetramethyl-2,4,6,8-tetravinylcyclotetrasiloxane\": \"C=CO1(C)[SiH2]O(C=C)(C)[SiH2]O(C=C)(C)[SiH2]O(C=C)(C)[SiH2]1\",\n \"2,4,6,8-Tetramethylcyclotetrasiloxane\": \"CO1[SiH2]O(C)[SiH2]O(C)[SiH2]O(C)[SiH2]1\",\n \"2,5-Bis(4-bromophenyl)-1,1-dimethyl-3,4-diphenylsilole\": \"C[Si]1(C)C(C2=CC=C(Br)C=C2)=C(C3=CC=CC=C3)C(C4=CC=CC=C4)=C1C5=CC=C(Br)C=C5\",\n \"2,5-Bis[(trimethylsilyl)ethynyl]thiophene\": \"C[Si](C#CC1=CC=C(C#C[Si](C)(C)C)S1)(C)C\",\n \"2,5-Dibromo-1,1,3,4-tetraphenylsilole\": \"BrC1=C(C2=CC=CC=C2)C(C3=CC=CC=C3)=C(Br)[Si]1(C4=CC=CC=C4)C5=CC=CC=C5\",\n \"2,5-Dibromo-1,1-dimethyl-3,4-diphenylsilole\": \"C[Si]1(C)C(Br)=C(C2=CC=CC=C2)C(C3=CC=CC=C3)=C1Br\",\n \"2-Cyanoethyltriethoxysilane\": \"CCO[Si](OCC)(CCC#N)OCC\",\n \"2-Trimethylsilyloxy-1,3-butadiene\": \"C=C(O[Si](C)(C)C)C=C\",\n \"2-Trimethylsilylthiophene\": \"C[Si](C1=CC=CS1)(C)C\",\n \"3-(2-Aminoethylamino)propyltrimethoxysilane\": \"CO[Si](OC)(CCCNCCN)OC\",\n \"3-(Dimethylsilyloxy)-1,1,5,5-tetramethyl-3-phenyltrisiloxane\": \"C[SiH](C)O[Si](C1=CC=CC=C1)(O[SiH](C)C)O[SiH](C)C\",\n \"3-(Triallylsilyl)propyl Acrylate\": \"C=CC(OCCC[Si](CC=C)(CC=C)CC=C)=O\",\n \"3-(Triallylsilyl)propyl Methacrylate\": \"CC(C(OCCC[Si](CC=C)(CC=C)CC=C)=O)=C\",\n \"3-(Triethoxysilyl)propyl Isocyanate\": \"CCO[Si](CCCN=C=O)(OCC)OCC\",\n \"3-(Trimethoxysilyl)propyl Acrylate\": \"C=CC(OCCC[Si](OC)(OC)OC)=O\",\n \"3-(Trimethoxysilyl)propyl Methacrylate\": \"CC(C(OCCC[Si](OC)(OC)OC)=O)=C\",\n \"3-(Trimethylsilylethynyl)thiophene\": \"C[Si](C#CC1=CSC=C1)(C)C\",\n \"3-[(Dimethylsilyl)oxy]-1,1,3,5,5-pentamethyltrisiloxane\": \"C[SiH](C)O[Si](C)(O[SiH](C)C)O[SiH](C)C\",\n \"3-[[Dimethyl(vinyl)silyl]oxy]-1,1,5,5-tetramethyl-3-phenyl-1,5-divinyltrisiloxane\": \"C=C[Si](C)(C)O[Si](C1=CC=CC=C1)(O[Si](C)(C)C=C)O[Si](C)(C)C=C\",\n \"3-[[tert-Butyl(dimethyl)silyl]oxy]-1-propanol\": \"OCCCO[Si](C)(C(C)(C)C)C\",\n \"3-Aminopropyltriethoxysilane\": \"CCO[Si](OCC)(CCCN)OCC\",\n \"3-Aminopropyltrimethoxysilane\": \"CO[Si](OC)(CCCN)OC\",\n \"3-Bromo-1-(trimethylsilyl)-1-propyne\": \"C[Si](C#CCBr)(C)C\",\n \"3-Chloropropyltriethoxysilane\": \"CCO[Si](OCC)(CCCCl)OCC\",\n \"3-Glycidyloxypropyltrimethoxysilane\": \"CO[Si](OC)(CCCOCC1CO1)OC\",\n \"3-Mercaptopropyl(dimethoxy)methylsilane\": \"C[Si](OC)(CCCS)OC\",\n \"3-Trimethoxysilylpropyl Chloride\": \"CO[Si](CCCCl)(OC)OC\",\n \"3-Trimethylsilyl-2-propyn-1-ol\": \"OCC#C[Si](C)(C)C\",\n \"4-(Trimethylsilyl)-3-butyn-2-one\": \"CC(C#C[Si](C)(C)C)=O\",\n \"4-(Trimethylsilyl)diphenylacetylene\": \"C[Si](C1=CC=C(C#CC2=CC=CC=C2)C=C1)(C)C\",\n \"4'-[(tert-Butyldimethylsilyloxy)methyl]-2,2,2-trifluoroacetophenone\": \"O=C(C1=CC=C(CO[Si](C)(C(C)(C)C)C)C=C1)C(F)(F)F\",\n \"4-Bromotetraphenylsilane\": \"BrC1=CC=C([Si](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C=C1\",\n \"4-Fluorophenylmagnesium Bromide\": \"Br[Mg]C1=CC=C(F)C=C1\",\n \"4-Trimethylsilyl-3-butyn-2-ol\": \"CC(O)C#C[Si](C)(C)C\",\n \"5-(Trimethylsilyl)-1,2,3,4,5-pentamethyl-1,3-cyclopentadiene\": \"CC1([Si](C)(C)C)C(C)=C(C)C(C)=C1C\",\n \"5,5''-Bis(trimethylstannyl)-2,2':5',2''-terthiophene\": \"C[Sn](C1=CC=C(C2=CC=C(C3=CC=C([Sn](C)(C)C)S3)S2)S1)(C)C\",\n \"Allyl(chloromethyl)dimethylsilane\": \"C[Si](CCl)(CC=C)C\",\n \"Allyl(tert-butyl)dimethylsilane\": \"C[Si](C(C)(C)C)(CC=C)C\",\n \"Allylchlorodimethylsilane\": \"C[Si](Cl)(CC=C)C\",\n \"Allylmagnesium Bromide\": \"Br[Mg]CC=C\",\n \"Allylmagnesium Chloride\": \"Cl[Mg]CC=C\",\n \"Allyloxytrimethylsilane\": \"C[Si](C)(OCC=C)C\",\n \"Allyltriethoxysilane\": \"CCO[Si](OCC)(CC=C)OCC\",\n \"Allyltriethylsilane\": \"CC[Si](CC)(CC=C)CC\",\n \"Allyltriisopropylsilane\": \"CC([Si](C(C)C)(CC=C)C(C)C)C\",\n \"Allyltrimethoxysilane\": \"CO[Si](OC)(CC=C)OC\",\n \"Allyltrimethylsilane\": \"C[Si](C)(CC=C)C\",\n \"Allyltriphenyltin\": \"C=CC[Sn](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3\",\n \"Allyltris(trimethylsilyloxy)silane\": \"C[Si](O[Si](O[Si](C)(C)C)(CC=C)O[Si](C)(C)C)(C)C\",\n \"Benzylmagnesium Bromide\": \"Br[Mg]CC1=CC=CC=C1\",\n \"Benzylmagnesium Chloride\": \"Cl[Mg]CC1=CC=CC=C1\",\n \"Benzyltrimethylsilane\": \"C[Si](C)(CC1=CC=CC=C1)C\",\n \"Bis(chloromethyl)dimethylsilane\": \"C[Si](CCl)(CCl)C\",\n \"Bis(pentafluorophenyl)dimethylsilane\": \"C[Si](C1=C(F)C(F)=C(F)C(F)=C1F)(C2=C(F)C(F)=C(F)C(F)=C2F)C\",\n \"Bis(trichlorosilyl)acetylene\": \"Cl[Si](C#C[Si](Cl)(Cl)Cl)(Cl)Cl\",\n \"Bis(trimethylsilyl) Sulfide\": \"C[Si](S[Si](C)(C)C)(C)C\",\n \"Bis(trimethylsilyl)acetylene\": \"C[Si](C#C[Si](C)(C)C)(C)C\",\n \"Bis(trimethylsilyl)bromomethane\": \"BrC([Si](C)(C)C)[Si](C)(C)C\",\n \"Bis(trimethylsilyl)methane\": \"C[Si](C[Si](C)(C)C)(C)C\",\n \"Bis(trimethylsilyl)methylamine\": \"CN([Si](C)(C)C)[Si](C)(C)C\",\n \"Bis[2-(trimethylsilyloxy)ethyl] Ether\": \"C[Si](OCCOCCO[Si](C)(C)C)(C)C\",\n \"Bis[2-carboxyethylgermanium(IV)] Sesquioxide\": \"O=[Ge](CCC(O)=O)O[Ge](CCC(O)=O)=O\",\n \"Bis[3-(trimethoxysilyl)propyl]amine\": \"CO[Si](CCCNCCC[Si](OC)(OC)OC)(OC)OC\",\n \"Butylmagnesium Bromide\": \"Br[Mg]CCCC\",\n \"Butylmagnesium Chloride\": \"Cl[Mg]CCCC\",\n \"Butyltin Trichloride\": \"CCCC[Sn](Cl)(Cl)Cl\",\n \"Chloro(3-chloropropyl)dimethylsilane\": \"C[Si](CCCCl)(Cl)C\",\n \"Chloro(hexyl)dimethylsilane\": \"C[Si](CCCCCC)(Cl)C\",\n \"Chloro(methyl)(phenyl)(vinyl)silane\": \"C=C[Si](C)(Cl)C1=CC=CC=C1\",\n \"Chlorodimethylvinylsilane\": \"C=C[Si](C)(Cl)C\",\n \"Chloromethyldimethylphenylsilane\": \"C[Si](C)(CCl)C1=CC=CC=C1\",\n \"Chloropentamethyldisilane\": \"C[Si](C)(C)[Si](C)(Cl)C\",\n \"Chlorotriethoxysilane\": \"CCO[Si](OCC)(Cl)OCC\",\n \"Cyclohexyl(dimethoxy)methylsilane\": \"C[Si](OC)(C1CCCCC1)OC\",\n \"Cyclohexylmagnesium Bromide\": \"Br[Mg]C1CCCCC1\",\n \"Cyclopentylmagnesium Bromide\": \"Br[Mg]C1CCCC1\",\n \"Cyclopropylmagnesium Bromide\": \"Br[Mg]C1CC1\",\n \"Decamethylcyclopentasiloxane\": \"C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1\",\n \"Decamethyltetrasiloxane\": \"C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C\",\n \"Decyltriethoxysilane\": \"CCO[Si](OCC)(CCCCCCCCCC)OCC\",\n \"Decyltrimethoxysilane\": \"CO[Si](OC)(CCCCCCCCCC)OC\",\n \"Diacetoxydimethylsilane\": \"C[Si](OC(C)=O)(OC(C)=O)C\",\n \"Diallyldimethylsilane\": \"C[Si](CC=C)(CC=C)C\",\n \"Dibutyltin Bis(trifluoromethanesulfonate)\": \"CCCC[Sn+2]CCCC.O=S(C(F)(F)F)([O-])=O.O=S(C(F)(F)F)([O-])=O\",\n \"Dibutyltin Diacetate\": \"CCCC[Sn+2]CCCC.CC([O-])=O.CC([O-])=O\",\n \"Dibutyltin Dichloride\": \"CCCC[Sn](Cl)(Cl)CCCC\",\n \"Dibutyltin Dilaurate\": \"CCCC[Sn+2]CCCC.CCCCCCCCCCCC([O-])=O.CCCCCCCCCCCC([O-])=O\",\n \"Dibutyltin Oxide\": \"CCCC[Sn](CCCC)=O\",\n \"Dichloro(methyl)(3,3,3-trifluoropropyl)silane\": \"FC(F)(F)CC[Si](Cl)(Cl)C\",\n \"Dichloro(methyl)-n-octylsilane\": \"CCCCCCCC[Si](Cl)(Cl)C\",\n \"Dichlorocyclohexylmethylsilane\": \"C[Si](Cl)(Cl)C1CCCCC1\",\n \"Dichlorodecylmethylsilane\": \"C[Si](Cl)(Cl)CCCCCCCCCC\",\n \"Dichlorododecylmethylsilane\": \"C[Si](Cl)(Cl)CCCCCCCCCCCC\",\n \"Dichlorohexylmethylsilane\": \"C[Si](Cl)(Cl)CCCCCC\",\n \"Dichloromethylvinylsilane\": \"C=C[Si](Cl)(Cl)C\",\n \"Dicyclopentyl(dimethoxy)silane\": \"CO[Si](C1CCCC1)(C2CCCC2)OC\",\n \"Diethoxy(methyl)phenylsilane\": \"C[Si](OCC)(OCC)C1=CC=CC=C1\",\n \"Diethoxydimethylsilane\": \"C[Si](OCC)(OCC)C\",\n \"Diethoxydiphenylsilane\": \"CCO[Si](C1=CC=CC=C1)(OCC)C2=CC=CC=C2\",\n \"Diethoxymethylsilane\": \"C[SiH](OCC)OCC\",\n \"Diethoxymethylvinylsilane\": \"C=C[Si](OCC)(OCC)C\",\n \"Diethyl(isopropyl)silanol\": \"O[Si](CC)(CC)C(C)C\",\n \"Diisobutyldimethoxysilane\": \"CO[Si](CC(C)C)(CC(C)C)OC\",\n \"Dimethoxy(methyl)(3,3,3-trifluoropropyl)silane\": \"FC(F)(F)CC[Si](OC)(OC)C\",\n \"Dimethoxy(methyl)silane\": \"C[SiH](OC)OC\",\n \"Dimethoxydimethylsilane\": \"C[Si](OC)(OC)C\",\n \"Dimethoxydiphenylsilane\": \"CO[Si](C1=CC=CC=C1)(OC)C2=CC=CC=C2\",\n \"Dimethoxydi-p-tolylsilane\": \"CC1=CC=C([Si](OC)(OC)C2=CC=C(C)C=C2)C=C1\",\n \"Dimethoxymethylvinylsilane\": \"C=C[Si](OC)(OC)C\",\n \"Dimethylbis(phenylethynyl)silane\": \"C[Si](C#CC1=CC=CC=C1)(C)C#CC2=CC=CC=C2\",\n \"Dimethyldiphenylsilane\": \"C[Si](C1=CC=CC=C1)(C)C2=CC=CC=C2\",\n \"Dimethyldivinylsilane\": \"C=C[Si](C)(C)C=C\",\n \"Dimethylphenylsilane\": \"C[SiH](C)C1=CC=CC=C1\",\n \"Dimethyltin Dichloride\": \"C[Sn](Cl)(Cl)C\",\n \"Dimethyltin Oxide\": \"C[Sn](C)=O\",\n \"Di-n-octyltin Oxide\": \"CCCCCCCC[Sn](CCCCCCCC)=O\",\n \"Diphenylbis(phenylethynyl)silane\": \"C1(C#C[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C#CC4=CC=CC=C4)=CC=CC=C1\",\n \"Diphenyldichlorogermane\": \"Cl[Ge](C1=CC=CC=C1)(C2=CC=CC=C2)Cl\",\n \"Diphenylsilane\": \"C1([SiH2]C2=CC=CC=C2)=CC=CC=C1\",\n \"Diphenylsilanediol\": \"O[Si](C1=CC=CC=C1)(C2=CC=CC=C2)O\",\n \"Di-sec-butylmagnesium - Lithium Chloride\": \"CCC([Mg]C(C)CC)C.[Li+].[Cl-]\",\n \"Di-tert-Butylsilane\": \"CC([SiH2]C(C)(C)C)(C)C\",\n \"Dodecamethylcyclohexasiloxane\": \"C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1\",\n \"Dodecamethylpentasiloxane\": \"C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C\",\n \"Dodecyltriethoxysilane\": \"CCO[Si](OCC)(CCCCCCCCCCCC)OCC\",\n \"Dodecyltrimethoxysilane\": \"CO[Si](OC)(CCCCCCCCCCCC)OC\",\n \"Ethoxytriethylsilane\": \"CC[Si](CC)(OCC)CC\",\n \"Ethylenedithiobis(trimethylsilane)\": \"C[Si](C)(C)SCCS[Si](C)(C)C\",\n \"Ethylmagnesium Bromide\": \"Br[Mg]CC\",\n \"Ethylmagnesium Chloride\": \"Cl[Mg]CC\",\n \"Heptylmagnesium Bromide\": \"Br[Mg]CCCCCCC\",\n \"Hexachlorodisilane\": \"Cl[Si](Cl)(Cl)[Si](Cl)(Cl)Cl\",\n \"Hexadecamethylcyclooctasiloxane\": \"C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1\",\n \"Hexadecyltrimethoxysilane\": \"CO[Si](OC)(CCCCCCCCCCCCCCCC)OC\",\n \"Hexamethylcyclotrisiloxane\": \"C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1\",\n \"Hexamethyldisilane\": \"C[Si](C)(C)[Si](C)(C)C\",\n \"Hexamethyldisiloxane\": \"C[Si](C)(C)O[Si](C)(C)C\",\n \"Hexamethylditin\": \"C[Sn](C)(C)[Sn](C)(C)C\",\n \"Hexaphenylcyclotrisiloxane\": \"C1([Si]2(C3=CC=CC=C3)O[Si](C4=CC=CC=C4)(C5=CC=CC=C5)O[Si](C6=CC=CC=C6)(C7=CC=CC=C7)O2)=CC=CC=C1\",\n \"Hexaphenyldisilane\": \"C1([Si](C2=CC=CC=C2)(C3=CC=CC=C3)[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)=CC=CC=C1\",\n \"Hexaphenyldisiloxane\": \"C1([Si](C2=CC=CC=C2)(C3=CC=CC=C3)O[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)=CC=CC=C1\",\n \"Hexylmagnesium Bromide\": \"Br[Mg]CCCCCC\",\n \"Hexyltriethoxysilane\": \"CCO[Si](OCC)(CCCCCC)OCC\",\n \"Hexyltrimethoxysilane\": \"CO[Si](OC)(CCCCCC)OC\",\n \"Isobutylmagnesium Bromide\": \"Br[Mg]CC(C)C\",\n \"Isopropenyloxytris(trimethylsilyl)silane\": \"C[Si]([Si]([Si](C)(C)C)(OC(C)=C)[Si](C)(C)C)(C)C\",\n \"Isopropylmagnesium Bromide\": \"Br[Mg]C(C)C\",\n \"Isopropylmagnesium Chloride - Lithium Chloride\": \"Cl[Mg]C(C)C.[Li+].[Cl-]\",\n \"Isopropylmagnesium Chloride\": \"Cl[Mg]C(C)C\",\n \"Lithium Acetylide Ethylenediamine Complex\": \"NCCN.[C-]#[C-].[Li+].[Li+]\",\n \"Methallyltrimethylsilane\": \"C[Si](C)(CC(C)=C)C\",\n \"Methoxydimethyl(phenyl)silane\": \"C[Si](C)(OC)C1=CC=CC=C1\",\n \"Methoxymethyltrimethylsilane\": \"C[Si](C)(COC)C\",\n \"Methoxytrimethylsilane\": \"C[Si](C)(OC)C\",\n \"Methyl 3-(Trimethylsilyloxy)crotonate (cis- and trans- mixture)\": \"C/C(O[Si](C)(C)C)=C/C(OC)=O\",\n \"Methyldiphenylsilane\": \"C[SiH](C1=CC=CC=C1)C2=CC=CC=C2\",\n \"Methylmagnesium Bromide\": \"Br[Mg]C\",\n \"Methylmagnesium Iodide\": \"I[Mg]C\",\n \"Monobutyltin Oxide\": \"CCCC[SnH]=O\",\n \"m-Tolylmagnesium Bromide \": \"Br[Mg]C1=CC=CC(C)=C1\",\n \"N-[2-(Trimethylsilyl)ethoxycarbonyloxy]succinimide\": \"O=C(N1OC(OCC[Si](C)(C)C)=O)CCC1=O\",\n \"n-Octyl p-Toluenesulfonate\": \"CC1=CC=C(S(=O)(OCCCCCCCC)=O)C=C1\",\n \"n-Octylmagnesium Bromide\": \"Br[Mg]CCCCCCCC\",\n \"N-Trimethylsilylimidazole\": \"C[Si](N1C=NC=C1)(C)C\",\n \"Octadecamethylcyclononasiloxane\": \"C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1\",\n \"Octadecyltriethoxysilane\": \"CCO[Si](OCC)(CCCCCCCCCCCCCCCCCC)OCC\",\n \"Octadecyltrimethoxysilane\": \"CO[Si](OC)(CCCCCCCCCCCCCCCCCC)OC\",\n \"Octakis(dimethylsilyloxy)octasilsesquioxane\": \"C[SiH](C)O[Si]1(O[Si]2(O[SiH](C)C)O[Si](O3)(O[SiH](C)C)O[Si](O4)(O[SiH](C)C)O[Si]5(O[SiH](C)C)O2)O[Si]3(O[SiH](C)C)O[Si]4(O[SiH](C)C)O[Si](O5)(O[SiH](C)C)O1\",\n \"Octamethylcyclotetrasiloxane\": \"C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1\",\n \"Octamethyltrisiloxane\": \"C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C\",\n \"Octaphenylcyclotetrasiloxane\": \"C1([Si]2(C3=CC=CC=C3)O[Si](C4=CC=CC=C4)(C5=CC=CC=C5)O[Si](C6=CC=CC=C6)(C7=CC=CC=C7)O[Si](C8=CC=CC=C8)(C9=CC=CC=C9)O2)=CC=CC=C1\",\n \"Octaphenyloctasilsesquioxane\": \"C1([Si]2(O3)O[Si](O[Si](O4)(C5=CC=CC=C5)O[Si](O6)(C7=CC=CC=C7)O8)(C9=CC=CC=C9)O[Si]8(C%10=CC=CC=C%10)O[Si]3(C%11=CC=CC=C%11)O[Si]6(C%12=CC=CC=C%12)O[Si]4(C%13=CC=CC=C%13)O2)=CC=CC=C1\",\n \"o-Tolylmagnesium Bromide\": \"Br[Mg]C1=CC=CC=C1C\",\n \"Pentadecylmagnesium Bromide\": \"Br[Mg]CCCCCCCCCCCCCCC\",\n \"Pentylmagnesium Bromide\": \"Br[Mg]CCCCC\",\n \"Pentyltriethoxysilane\": \"CCO[Si](OCC)(CCCCC)OCC\",\n \"Phenylgermanium Trichloride\": \"Cl[Ge](Cl)(Cl)C1=CC=CC=C1\",\n \"Phenylmagnesium Bromide \": \"Br[Mg]C1=CC=CC=C1\",\n \"Phenylmagnesium Chloride\": \"Cl[Mg]C1=CC=CC=C1\",\n \"Phenylmagnesium Iodide \": \"I[Mg]C1=CC=CC=C1\",\n \"Phenylsilane\": \"[SiH3]C1=CC=CC=C1\",\n \"Phenyltin Trichloride\": \"Cl[Sn](Cl)(Cl)C1=CC=CC=C1\",\n \"Propylmagnesium Bromide\": \"Br[Mg]CCC\",\n \"p-Tolylmagnesium Bromide \": \"Br[Mg]C1=CC=C(C)C=C1\",\n \"sec-Butylmagnesium Bromide \": \"Br[Mg]C(C)CC\",\n \"sec-Butylmagnesium Chloride - Lithium Chloride\": \"Cl[Mg]C(C)CC.[Li+].[Cl-]\",\n \"tert-Butyldimethylsilane\": \"C[SiH](C(C)(C)C)C\",\n \"tert-Butyldimethylsilanol\": \"O[Si](C)(C(C)(C)C)C\",\n \"tert-Butyldiphenylsilane\": \"CC([SiH](C1=CC=CC=C1)C2=CC=CC=C2)(C)C\",\n \"tert-Butylmagnesium Chloride\": \"Cl[Mg]C(C)(C)C\",\n \"tert-Butylmethoxyphenylsilyl Bromide\": \"CO[Si](C(C)(C)C)(Br)C1=CC=CC=C1\",\n \"Tetraallyltin\": \"C=CC[Sn](CC=C)(CC=C)CC=C\",\n \"Tetrabutyl Orthosilicate\": \"CCCCO[Si](OCCCC)(OCCCC)OCCCC\",\n \"Tetrabutyltin\": \"CCCC[Sn](CCCC)(CCCC)CCCC\",\n \"Tetradecamethylcycloheptasiloxane\": \"C[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1\",\n \"Tetraethyl Orthosilicate\": \"CCO[Si](OCC)(OCC)OCC\",\n \"Tetraethylgermane\": \"CC[Ge](CC)(CC)CC\",\n \"Tetraethylsilane\": \"CC[Si](CC)(CC)CC\",\n \"Tetraisopropyl Orthosilicate\": \"CC(O[Si](OC(C)C)(OC(C)C)OC(C)C)C\",\n \"Tetrakis(dimethylsilyl)silane\": \"C[SiH]([Si]([SiH](C)C)([SiH](C)C)[SiH](C)C)C\",\n \"Tetrakis(dimethylsilyloxy)silane\": \"C[SiH](O[Si](O[SiH](C)C)(O[SiH](C)C)O[SiH](C)C)C\",\n \"Tetrakis(trimethylsilyl)silane\": \"C[Si]([Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)(C)C\",\n \"Tetrakis[dimethyl(vinyl)silyl] Orthosilicate\": \"C=C[Si](O[Si](O[Si](C)(C)C=C)(O[Si](C)(C)C=C)O[Si](C)(C)C=C)(C)C\",\n \"Tetramethylgermane\": \"C[Ge](C)(C)C\",\n \"Tetramethylsilane\": \"C[Si](C)(C)C\",\n \"Tetraphenylgermane\": \"C1([Ge](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)=CC=CC=C1\",\n \"Tetraphenylsilane\": \"C1([Si](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)=CC=CC=C1\",\n \"Tetraphenyltin\": \"C1([Sn](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)=CC=CC=C1\",\n \"Tetrapropyl Orthosilicate\": \"CCCO[Si](OCCC)(OCCC)OCCC\",\n \"TMS-Imidazole (=N-Trimethylsilylimidazole)\": \"C[Si](N1C=NC=C1)(C)C\",\n \"Tri(cyclohexa-2,5-dien-1-yl)silane\": \"[SiH](C1C=CCC=C1)(C2C=CCC=C2)C3C=CCC=C3\",\n \"Triacetoxyethylsilane\": \"CC[Si](OC(C)=O)(OC(C)=O)OC(C)=O\",\n \"Triallyl(methyl)silane\": \"C[Si](CC=C)(CC=C)CC=C\",\n \"Triallyl(phenyl)silane\": \"C=CC[Si](CC=C)(CC=C)C1=CC=CC=C1\",\n \"Tribenzylsilane\": \"[SiH](CC1=CC=CC=C1)(CC2=CC=CC=C2)CC3=CC=CC=C3\",\n \"Tributylchlorosilane\": \"Cl[Si](CCCC)(CCCC)CCCC\",\n \"Tributylsilane\": \"CCCC[SiH](CCCC)CCCC\",\n \"Trichloro(3,3,3-trifluoropropyl)silane\": \"FC(F)(F)CC[Si](Cl)(Cl)Cl\",\n \"Trichloro-2-cyanoethylsilane\": \"N#CCC[Si](Cl)(Cl)Cl\",\n \"Trichlorocyclopentylsilane\": \"Cl[Si](Cl)(Cl)C1CCCC1\",\n \"Triethoxy(3-glycidyloxypropyl)silane\": \"CCO[Si](OCC)(OCC)CCCOCC1CO1\",\n \"Triethoxy(pentafluorophenyl)silane\": \"FC1=C(F)C(F)=C(F)C(F)=C1[Si](OCC)(OCC)OCC\",\n \"Triethoxy(propyl)silane\": \"CCC[Si](OCC)(OCC)OCC\",\n \"Triethoxy[2-(7-oxabicyclo[4.1.0]heptan-3-yl)ethyl]silane\": \"CCO[Si](OCC)(OCC)CCC1CC2OC2CC1\",\n \"Triethoxy-1H,1H,2H,2H-tridecafluoro-n-octylsilane\": \"F[SiH2]C(F)(F)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(OCC)(OCC)OCC\",\n \"Triethoxyethylsilane\": \"CC[Si](OCC)(OCC)OCC\",\n \"Triethoxyfluorosilane\": \"F[Si](OCC)(OCC)OCC\",\n \"Triethoxymethylsilane\": \"C[Si](OCC)(OCC)OCC\",\n \"Triethoxy-n-octylsilane\": \"CCCCCCCC[Si](OCC)(OCC)OCC\",\n \"Triethoxyphenylsilane\": \"CCO[Si](OCC)(OCC)C1=CC=CC=C1\",\n \"Triethoxyvinylsilane\": \"C=C[Si](OCC)(OCC)OCC\",\n \"Triethylchlorogermane\": \"Cl[Ge](CC)(CC)CC\",\n \"Triethylsilanol\": \"O[Si](CC)(CC)CC\",\n \"Triethylsilylacetylene\": \"C#C[Si](CC)(CC)CC\",\n \"Triethylvinylsilane\": \"C=C[Si](CC)(CC)CC\",\n \"Trihexylsilane\": \"CCCCCC[SiH](CCCCCC)CCCCCC\",\n \"Triisopropyl[(trimethylsilyl)ethynyl]silane\": \"C[Si](C#C[Si](C(C)C)(C(C)C)C(C)C)(C)C\",\n \"Triisopropylsilane\": \"CC([SiH](C(C)C)C(C)C)C\",\n \"Triisopropylsilylacetylene\": \"C#C[Si](C(C)C)(C(C)C)C(C)C\",\n \"Trimethoxy(1H,1H,2H,2H-tridecafluoro-n-octyl)silane\": \"FC(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(F)CC[Si](OC)(OC)OC\",\n \"Trimethoxy(2-phenylethyl)silane\": \"CO[Si](OC)(OC)CCC1=CC=CC=C1\",\n \"Trimethoxy(3,3,3-trifluoropropyl)silane\": \"FC(F)(F)CC[Si](OC)(OC)OC\",\n \"Trimethoxy(4-methoxyphenyl)silane\": \"COC1=CC=C([Si](OC)(OC)OC)C=C1\",\n \"Trimethoxy(methyl)silane\": \"C[Si](OC)(OC)OC\",\n \"Trimethoxy(phenylethyl)silane\": \"CO[Si](OC)(OC)CCC1=CC=CC=C1\",\n \"Trimethoxy(propyl)silane\": \"CCC[Si](OC)(OC)OC\",\n \"Trimethoxy[3-(methylamino)propyl]silane\": \"CNCCC[Si](OC)(OC)OC\",\n \"Trimethoxy[3-(phenylamino)propyl]silane\": \"CO[Si](OC)(OC)CCCNC1=CC=CC=C1\",\n \"Trimethoxy-n-octylsilane\": \"CCCCCCCC[Si](OC)(OC)OC\",\n \"Trimethoxyphenylsilane\": \"CO[Si](OC)(OC)C1=CC=CC=C1\",\n \"Trimethyl(2-pyridyl)tin\": \"C[Sn](C)(C)C1=NC=CC=C1\",\n \"Trimethyl(4-pyridyl)tin\": \"C[Sn](C)(C)C1=CC=NC=C1\",\n \"Trimethyl(heptafluoropropyl)silane\": \"FC([Si](C)(C)C)(F)C(F)(F)C(F)(F)F\",\n \"Trimethyl(nonafluorobutyl)silane\": \"FC([Si](C)(C)C)(F)C(F)(F)C(F)(F)C(F)(F)F\",\n \"Trimethyl(pentafluoroethyl)silane\": \"FC([Si](C)(C)C)(F)C(F)(F)F\",\n \"Trimethyl(pentafluorophenyl)silane\": \"FC1=C(F)C(F)=C(F)C(F)=C1[Si](C)(C)C\",\n \"Trimethyl(tridecafluorohexyl)silane\": \"FC([Si](C)(C)C)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F\",\n \"Trimethyl[3-(trimethoxysilyl)propyl]ammonium Chloride\": \"CO[Si](CCC[N+](C)(C)C)(OC)OC.[Cl-]\",\n \"Trimethylchlorogermane\": \"Cl[Ge](C)(C)C\",\n \"Trimethylethoxysilane\": \"CCO[Si](C)(C)C\",\n \"Trimethylphenylsilane\": \"C[Si](C)(C)C1=CC=CC=C1\",\n \"Trimethylsilyl Acetate\": \"CC(O[Si](C)(C)C)=O\",\n \"Trimethylsilyl Propionate\": \"CCC(O[Si](C)(C)C)=O\",\n \"Trimethylsilyl Trifluoroacetate\": \"O=C(O[Si](C)(C)C)C(F)(F)F\",\n \"Trimethylsilylacetylene\": \"C#C[Si](C)(C)C\",\n \"Trimethylsilylcyclopentadiene\": \"C[Si](C1=CC=CC1)(C)C\",\n \"Trimethylsilylketene Ethyl Trimethylsilyl Acetal\": \"C[Si](/C=C(OCC)/O[Si](C)(C)C)(C)C\",\n \"Trimethylsilylmethylmagnesium Chloride\": \"Cl[Mg]C[Si](C)(C)C\",\n \"Trimethyltin Chloride\": \"C[Sn](C)(Cl)C\",\n \"Triphenylchlorogermane\": \"Cl[Ge](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3\",\n \"Triphenylsilane\": \"[SiH](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3\",\n \"Triphenylsilanol\": \"O[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3\",\n \"Triphenylvinylsilane\": \"C=C[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3\",\n \"Tris(trimethylsilyloxy)silane\": \"C[Si](O[SiH](O[Si](C)(C)C)O[Si](C)(C)C)(C)C\",\n \"Vinylmagnesium Bromide\": \"Br[Mg]C=C\",\n \"Vinyltrimethoxysilane\": \"CO[Si](OC)(C=C)OC\",\n \"Vinyltrimethylsilane\": \"C[Si](C)(C=C)C\",\n \"Vinyltris(2-methoxyethoxy)silane\": \"COCCO[Si](OCCOC)(C=C)OCCOC\",\n}","export const oxidation = {\n \"[Bis(trifluoroacetoxy)iodo]pentafluorobenzene\": \"FC1=C(I(OC(C(F)(F)F)=O)OC(C(F)(F)F)=O)C(F)=C(F)C(F)=C1F\",\n \"[Hydroxy(tosyloxy)iodo]benzene\": \"O=S(OI(C1=CC=CC=C1)O)(C2=CC=C(C)C=C2)=O\",\n \"1-Acetoxy-5-bromo-1,2-benziodoxol-3(1H)-one\": \"O=C1OI(OC(C)=O)C2=CC=C(Br)C=C12\",\n \"2,2,6,6-Tetramethylpiperidine 1-Oxyl Free Radical\": \"CC1(C)CCCC(C)(C)N1[O]\",\n \"2-Hydroxy-2-azaadamantane\": \"ON1C2CC3CC(C2)CC1C3\",\n \"2-Iodosobenzoic Acid\": \"O=C(O)C1=CC=CC=C1I=O\",\n \"2-Iodoxybenzoic Acid\": \"O=C(O)C1=CC=CC=C1I(=O)=O\",\n \"4-[2-[2-(4-Iodophenoxy)ethoxy]carbonyl]benzoyloxy-2,2,6,6-tetramethylpiperidin-1-oxyl\": \"[O]N1C(C)(C)CC(OC(C2=CC=CC=C2C(OCCOC3=CC=C(I)C=C3)=O)=O)CC1(C)C\",\n \"4-Acetamido-2,2,6,6-tetramethyl-1-oxopiperidinium Tetrafluoroborate\": \"O=[N+]1C(C)(C)CC(NC(C)=O)CC1(C)C.F[B-](F)(F)F\",\n \"4-Methylmorpholine N-Oxide\": \"C[N+]1([O-])CCOCC1\",\n \"Ammonium Cerium(IV) Nitrate\": \"[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O.[O-][N+]([O-])=O.[NH4+].[Ce+4]\",\n \"Bis(pyridine)iodonium Tetrafluoroborate\": \"[IH+]C1=NC=CC=C1.F[B-](F)(F)F.C2=NC=CC=C2\",\n \"Bis(tetrabutylammonium) Dichromate\": \"CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.O=[Cr]([O-])(O[Cr](=O)([O-])=O)=O\",\n \"Chloramine T Trihydrate\": \"CC1=CC=C(S(=O)([N-]Cl)=O)C=C1.[H]O[H].[H]O[H].[H]O[H].[Na+]\",\n \"Chloranil\": \"O=C(C(Cl)=C1Cl)C(Cl)=C(Cl)C1=O\",\n \"Cumene Hydroperoxide\": \"CC(C1=CC=C(OO)C=C1)C\",\n \"Dess-Martin Periodinane\": \"CC(OI1(OC(C)=O)(OC(C)=O)c2ccccc2C(O1)=O)=O\",\n \"Dichloramine T\": \"CC1=CC=C(S(=O)([N-]Cl)=O)C=C1.[Na+]\",\n \"Di-tert-butyl Peroxide\": \"CC(OOC(C)(C)C)(C)C\",\n \"Iodobenzene Diacetate\": \"IC1=CC=CC=C1.CC(O)=O.CC(O)=O\",\n \"Iodomesitylene Diacetate\": \"CC1=C(I)C(C)=CC(C)=C1.CC(O)=O.CC(O)=O\",\n \"N-tert-Butylbenzenesulfenamide\": \"CC(NSC1=CC=CC=C1)(C)C\",\n \"N-tert-Butylbenzenesulfinimidoyl Chloride \": \"CC(/N=S(Cl)/C1=CC=CC=C1)(C)C\",\n \"Oxalyl Chloride\": \"O=C(Cl)C(Cl)=O\",\n \"Phosphomolybdic Acid Ethanol Solution\": \"O=[Mo](OP(O)(O)=O)(O)=O.CCO\",\n \"Phosphomolybdic Acid Hydrate\": \"O=[Mo](OP(O)(O)=O)(O)=O.[H]O[H]\",\n \"Pyridine - Sulfur Trioxide Complex\": \"O=S(=O)=O.C1=CC=NC=C1\",\n \"Pyridinium Chlorochromate\": \"[O-][Cr](=O)(Cl)=O.C1=CC=CC=[NH+]1\",\n \"Pyridinium Dichromate\": \"O=[Cr]([O-])(O[Cr](=O)([O-])=O)=O.C1=CC=CC=[NH+]1.C2=CC=CC=[NH+]2\",\n \"Pyridinium Fluorochromate\": \"[O-][Cr](=O)(F)=O.C1=CC=CC=[NH+]1\",\n \"Quinolinium Dichromate\": \"O=[Cr]([O-])(O[Cr](=O)([O-])=O)=O.C12=CC=C[NH+]=C1C=CC=C2.C34=CC=C[NH+]=C3C=CC=C4\",\n \"Silver(II) Pyridine-2-carboxylate\": \"O=C(C1=NC=CC=C1)[O-].O=C(C2=NC=CC=C2)[O-].[Ag+2]\",\n \"Sodium Dichloroisocyanurate\": \"ClN1C([N-]C(N(C1=O)Cl)=O)=O.[Na+]\",\n \"Sodium Hypochlorite Pentahydrate\": \"Cl[O-].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[H]O[H].[Na+]\",\n \"Sulfur Trioxide - Triethylamine Complex\": \"O=S(=O)=O.CCN(CC)CC\",\n \"tert-Butyl Hydroperoxide \": \"CC(C)(OO)C\",\n \"Tetracyanoethylene\": \"N#CC(C#N)=C(C#N)C#N\",\n \"Tetrapropylammonium Perruthenate\": \"CCC[N+](CCC)(CCC)CCC.O=[Ru](=O)([O-])=O\",\n \"Trimethylamine N-Oxide Anhydrous\": \"C[N+](C)([O-])C\",\n \"Trimethylamine N-Oxide Dihydrate\": \"C[N+](C)([O-])C.[H]O[H].[H]O[H]\",\n \"Trisodium Paraperiodate\": \"O=I([O-])([O-])(O)(O)[O-].[Na+].[Na+].[Na+]\",\n}","export const reducingReagents = {\n \"1,2-Bis(tert-butylthio)ethane Borane\": \"CC(SCCSC(C)(C)C)(C)C.B\",\n \"Benzyltriethylammonium Borohydride\": \"CC[N+](CC)(CC1=CC=CC=C1)CC.[BH4-]\",\n \"Borane - 2-Methylpyridine Complex\": \"CC1=NC=CC=C1.B\",\n \"Borane - 5-Ethyl-2-methylpyridine Complex\": \"CC1=NC=C(CC)C=C1.B\",\n \"Borane - Ammonia Complex\": \"B.N\",\n \"Borane - Diisopropylamine Complex\": \"CC(C)NC(C)C.B\",\n \"Borane - Morpholine Complex\": \"O1CCNCC1.B\",\n \"Borane - Pyridine Complex\": \"C1=CN=CC=C1.B\",\n \"Borane - Tetrahydrofuran Complex\": \"B.C1COCC1\",\n \"Borane - tert-Butylamine Complex\": \"NC(C)(C)C.B\",\n \"Dicyclohexylamine Borane\": \"C1(NC2CCCCC2)CCCCC1.B\",\n \"Diethyl 1,4-Dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate\": \"O=C(C1=C(C)NC(C)=C(C(OCC)=O)C1)OCC\",\n \"Dimethyl Sulfide Borane\": \"CSC.B\",\n \"Dimethylamine Borane\": \"CNC.B\",\n \"Di-tert-butyl 1,4-Dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate\": \"O=C(C1=C(C)NC(C)=C(C(OC(C)(C)C)=O)C1)OC(C)(C)C\",\n \"DL-Dithiothreitol\": \"SC[C@H]([C@@H](CO)O)S\",\n \"Ethyl Chloroglyoxylate\": \"O=C(Cl)C(OCC)=O\",\n \"Lithium Aluminum Hydride\": \"[Li+].[Al+3].[H-].[H-].[H-].[H-]\",\n \"Lithium Borohydride \": \"[Li+].[BH4-]\",\n \"Lithium Triethylborohydride\": \"CC[BH-](CC)CC.[Li+]\",\n \"Lithium Tri-tert-butoxyaluminum Hydride\": \"CC(O[Al](OC(C)(C)C)OC(C)(C)C)(C)C.[Li+].[H-]\",\n \"Methyl Chloroglyoxylate\": \"O=C(Cl)C(OC)=O\",\n \"N,N-Diethylaniline Borane\": \"CCN(CC)C1=CC=CC=C1.B\",\n \"N'-Isopropylidene-2-nitrobenzenesulfonohydrazide\": \"O=S(C1=CC=CC=C1[N+]([O-])=O)(NN=C(C)C)=O\",\n \"Potassium Bis(1-pyrazolyl)borohydride\": \"N1([BH2-]N2N=CC=C2)N=CC=C1.[K+]\",\n \"Potassium Borohydride\": \"[K+].[BH4-]\",\n \"Potassium Tris(1-pyrazolyl)borohydride\": \"[BH-](N1N=CC=C1)(N2N=CC=C2)N3N=CC=C3.[K+]\",\n \"Samarium(II) Iodide\": \"[Sm+2].[I-].[I-]\",\n \"Sodium Bis(2-methoxyethoxy)aluminum Dihydride\": \"COCCO[Al+]OCCOC.[Na+].[H-].[H-]\",\n \"Sodium Borohydride\": \"[Na+].[BH4-]\",\n \"Sodium Cyanoborohydride [Reducing Agent]\": \"[BH3-]C#N.[Na+]\",\n \"Sodium Hydride\": \"[Na+].[H-]\",\n \"Sodium Triacetoxyborohydride\": \"O=C(O[BH-](OC(C)=O)OC(C)=O)C.[Na+]\",\n \"Sodium Tris(1,1,1,3,3,3-hexafluoroisopropoxy)borohydride\": \"FC(F)(C(C(F)(F)F)O[BH-](OC(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)C(F)(F)F)F.[Na+]\",\n \"Tetrabutylammonium Borohydride\": \"CCCC[N+](CCCC)(CCCC)CCCC.[BH4-]\",\n \"Tetraethylammonium Borohydride\": \"CC[N+](CC)(CC)CC.[BH4-]\",\n \"Tetramethylammonium Borohydride\": \"C[N+](C)(C)C.[BH4-]\",\n \"Tetramethylammonium Triacetoxyborohydride\": \"C[N+](C)(C)C.O=C(O[BH-](OC(C)=O)OC(C)=O)C\",\n \"Triethylamine Borane\": \"CCN(CC)CC.B\",\n \"Triethylsilane\": \"CC[SiH](CC)CC\",\n \"Triisopropylsilane\": \"CC([SiH](C(C)C)C(C)C)C\",\n \"Trimethylamine Borane\": \"CN(C)C.B\",\n \"Triphenylphosphine Borane\": \"P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.B\",\n \"Triphenylsilane\": \"[SiH](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3\",\n \"Tris(2-carboxyethyl)phosphine Hydrochloride\": \"O=C(CCP(CCC(O)=O)CCC(O)=O)O.[H]Cl\",\n \"Zirconocene Chloride Hydride\": \"[Del][Zr+2][Del].c1cccc1.c2cccc2.[Cl-].[H-]\"\n}","export const phaseTransferReagents = {\n \"(Ferrocenylmethyl)dodecyldimethylammonium Bromide\": \"C[N+](CCCCCCCCCCCC)(C)Cc1cccc1.[Del][Fe][Del].[Br-].c2cccc2\",\n \"(Ferrocenylmethyl)trimethylammonium Bromide\": \"C[N+](C)(C)Cc1cccc1.[Del][Fe][Del].[Br-].c2cccc2\",\n \"4-Dimethylamino-1-neopentylpyridinium Chloride\": \"CC(C)(C)C[N+]1=CC=C(N(C)C)C=C1.[Cl-]\",\n \"Benzylcetyldimethylammonium Chloride Hydrate\": \"C[N+](CCCCCCCCCCCCCCCC)(CC1=CC=CC=C1)C.[H]O[H].[Cl-]\",\n \"Benzyldimethyltetradecylammonium Chloride Hydrate\": \"CCCCCCCCCCCCCC[N+](C)(CC1=CC=CC=C1)C.[H]O[H].[Cl-]\",\n \"Benzyldodecyldimethylammonium Bromide\": \"C[N+](CCCCCCCCCCCC)(CC1=CC=CC=C1)C.[Br-]\",\n \"Benzyldodecyldimethylammonium Chloride Dihydrate\": \"C[N+](CCCCCCCCCCCC)(CC1=CC=CC=C1)C.[H]O[H].[H]O[H].[Cl-]\",\n \"Benzyltributylammonium Bromide\": \"CCCC[N+](CCCC)(CC1=CC=CC=C1)CCCC.[Br-]\",\n \"Benzyltributylammonium Chloride\": \"CCCC[N+](CCCC)(CC1=CC=CC=C1)CCCC.[Cl-]\",\n \"Benzyltriethylammonium Bromide\": \"CC[N+](CC)(CC1=CC=CC=C1)CC.[Br-]\",\n \"Benzyltriethylammonium Chloride\": \"CC[N+](CC)(CC1=CC=CC=C1)CC.[Cl-]\",\n \"Benzyltriethylammonium Iodide\": \"CC[N+](CC)(CC1=CC=CC=C1)CC.[I-]\",\n \"Benzyltrimethylammonium Bromide\": \"C[N+](C)(CC1=CC=CC=C1)C.[Br-]\",\n \"Benzyltrimethylammonium Chloride\": \"C[N+](C)(CC1=CC=CC=C1)C.[Cl-]\",\n \"Benzyltrimethylammonium Dichloroiodate\": \"C[N+](C)(CC1=CC=CC=C1)C.Cl[I-]Cl\",\n \"Bis(2-hydroxyethyl)dimethylammonium Chloride\": \"C[N+](CCO)(CCO)C.[Cl-]\",\n \"Bromocholine Bromide\": \"BrCC[N+](C)(C)C.[Br-]\",\n \"Carbamylcholine Chloride\": \"C[N+](C)(C)CCOC(N)=O.[Cl-]\",\n \"Chlorocholine Chloride\": \"ClCC[N+](C)(C)C.[Cl-]\",\n \"Choline Chloride\": \"OCC[N+](C)(C)C.[Cl-]\",\n \"Decyltrimethylammonium Bromide\": \"C[N+](C)(CCCCCCCCCC)C.[Br-]\",\n \"Decyltrimethylammonium Chloride\": \"C[N+](C)(CCCCCCCCCC)C.[Cl-]\",\n \"Diallyldimethylammonium Chloride\": \"C[N+](CC=C)(CC=C)C.[Cl-]\",\n \"Didecyldimethylammonium Bromide\": \"C[N+](CCCCCCCCCC)(CCCCCCCCCC)C.[Br-]\",\n \"Didodecyldimethylammonium Chloride\": \"C[N+](CCCCCCCCCCCC)(CCCCCCCCCCCC)C.[Cl-]\",\n \"Dilauryldimethylammonium Bromide\": \"C[N+](CCCCCCCCCCCC)(CCCCCCCCCCCC)C.[Br-]\",\n \"Dimethyldimyristylammonium Bromide\": \"CCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCC.[Br-]\",\n \"Dimethyldioctadecylammonium Bromide\": \"CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC.[Br-]\",\n \"Dimethyldioctadecylammonium Iodide\": \"CCCCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCCCC.[I-]\",\n \"Dimethyldioctylammonium Bromide\": \"CCCCCCCC[N+](C)(C)CCCCCCCC.[Br-]\",\n \"Dimethyldipalmitylammonium Bromide\": \"CCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCC.[Br-]\",\n \"Dodecyltrimethylammonium Bromide\": \"C[N+](C)(CCCCCCCCCCCC)C.[Br-]\",\n \"Dodecyltrimethylammonium Chloride\": \"C[N+](C)(CCCCCCCCCCCC)C.[Cl-]\",\n \"Ethyltrimethylammonium Iodide\": \"C[N+](C)(CC)C.[I-]\",\n \"Hexadecyltrimethylammonium Bromide\": \"C[N+](C)(CCCCCCCCCCCCCCCC)C.[Br-]\",\n \"Hexadecyltrimethylammonium Chloride\": \"C[N+](C)(CCCCCCCCCCCCCCCC)C.[Cl-]\",\n \"Hexyltrimethylammonium Bromide\": \"C[N+](C)(CCCCCC)C.[Br-]\",\n \"Methyltri-n-octylammonium Chloride\": \"CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.[Cl-]\",\n \"Methyltri-n-octylammonium Hydrogen Sulfate\": \"CCCCCCCC[N+](CCCCCCCC)(C)CCCCCCCC.O=S(O)([O-])=O\",\n \"n-Octyltrimethylammonium Bromide\": \"C[N+](C)(CCCCCCCC)C.[Br-]\",\n \"n-Octyltrimethylammonium Chloride\": \"C[N+](C)(CCCCCCCC)C.[Cl-]\",\n \"Tetra(decyl)ammonium Bromide\": \"CCCCCCCCCC[N+](CCCCCCCCCC)(CCCCCCCCCC)CCCCCCCCCC.[Br-]\",\n \"Tetraamylammonium Bromide\": \"CCCCC[N+](CCCCC)(CCCCC)CCCCC.[Br-]\",\n \"Tetraamylammonium Chloride\": \"CCCCC[N+](CCCCC)(CCCCC)CCCCC.[Cl-]\",\n \"Tetrabutylammonium Acetate\": \"CCCC[N+](CCCC)(CCCC)CCCC.CC([O-])=O\",\n \"Tetrabutylammonium Bifluoride\": \"CCCC[N+](CCCC)(CCCC)CCCC.[H]F.[F-]\",\n \"Tetrabutylammonium Bromide\": \"CCCC[N+](CCCC)(CCCC)CCCC.[Br-]\",\n \"Tetrabutylammonium Chloride\": \"CCCC[N+](CCCC)(CCCC)CCCC.[Cl-]\",\n \"Tetrabutylammonium Hexafluorophosphate\": \"CCCC[N+](CCCC)(CCCC)CCCC.F[P-](F)(F)(F)(F)F\",\n \"Tetrabutylammonium Hydrogen Sulfate\": \"CCCC[N+](CCCC)(CCCC)CCCC.O=S(O)([O-])=O\",\n \"Tetrabutylammonium Iodide\": \"CCCC[N+](CCCC)(CCCC)CCCC.[I-]\",\n \"Tetrabutylammonium Perchlorate\": \"CCCC[N+](CCCC)(CCCC)CCCC.O=Cl(=O)([O-])=O\",\n \"Tetrabutylammonium Tetrafluoroborate\": \"CCCC[N+](CCCC)(CCCC)CCCC.F[B-](F)(F)F\",\n \"Tetrabutylammonium Tetraphenylborate\": \"CCCC[N+](CCCC)(CCCC)CCCC.C1([B-](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)=CC=CC=C1\",\n \"Tetrabutylammonium Thiocyanate\": \"CCCC[N+](CCCC)(CCCC)CCCC.[S-]C#N\",\n \"Tetrabutylammonium Tribromide\": \"CCCC[N+](CCCC)(CCCC)CCCC.[Br-].[Br-].[Br-]\",\n \"Tetrabutylammonium Trifluoromethanesulfonate\": \"CCCC[N+](CCCC)(CCCC)CCCC.O=S(C(F)(F)F)([O-])=O\",\n \"Tetrabutylammonium Triiodide\": \"CCCC[N+](CCCC)(CCCC)CCCC.[I-].[I-].[I-]\",\n \"Tetrabutylphosphonium Bromide\": \"CCCC[P+](CCCC)(CCCC)CCCC.[Br-]\",\n \"Tetrabutylphosphonium Chloride\": \"CCCC[P+](CCCC)(CCCC)CCCC.[Cl-]\",\n \"Tetrabutylphosphonium Hexafluorophosphate\": \"CCCC[P+](CCCC)(CCCC)CCCC.F[P-](F)(F)(F)(F)F\",\n \"Tetrabutylphosphonium Tetrafluoroborate\": \"CCCC[P+](CCCC)(CCCC)CCCC.F[B-](F)(F)F\",\n \"Tetradecyltrimethylammonium Bromide\": \"C[N+](C)(CCCCCCCCCCCCCC)C.[Br-]\",\n \"Tetraethylammonium Bromide\": \"CC[N+](CC)(CC)CC.[Br-]\",\n \"Tetraethylammonium Chloride\": \"CC[N+](CC)(CC)CC.[Cl-]\",\n \"Tetraethylammonium Iodide\": \"CC[N+](CC)(CC)CC.[I-]\",\n \"Tetraethylammonium Nitrate\": \"CC[N+](CC)(CC)CC.[O-][N+]([O-])=O\",\n \"Tetraethylammonium Tetrafluoroborate\": \"CC[N+](CC)(CC)CC.F[B-](F)(F)F\",\n \"Tetraethylammonium Trifluoromethanesulfonate\": \"CC[N+](CC)(CC)CC.O=S(C(F)(F)F)([O-])=O\",\n \"Tetraethylammonium p-Toluenesulfonate\": \"CC[N+](CC)(CC)CC.CC1=CC=C(S(=O)([O-])=O)C=C1\",\n \"Tetraethylphosphonium Bromide\": \"CC[P+](CC)(CC)CC.[Br-]\",\n \"Tetraethylphosphonium Hexafluorophosphate\": \"CC[P+](CC)(CC)CC.F[P-](F)(F)(F)(F)F\",\n \"Tetraethylphosphonium Tetrafluoroborate\": \"CC[P+](CC)(CC)CC.F[B-](F)(F)F\",\n \"Tetraheptylammonium Bromide\": \"CCCCCCC[N+](CCCCCCC)(CCCCCCC)CCCCCCC.[Br-]\",\n \"Tetraheptylammonium Iodide\": \"CCCCCCC[N+](CCCCCCC)(CCCCCCC)CCCCCCC.[I-]\",\n \"Tetrahexylammonium Bromide\": \"CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC.[Br-]\",\n \"Tetrahexylammonium Hydrogen Sulfate\": \"CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC.O=S(O)([O-])=O\",\n \"Tetrahexylammonium Iodide\": \"CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC.[I-]\",\n \"Tetrakis(hydroxymethyl)phosphonium Chloride\": \"OC[P+](CO)(CO)CO.[Cl-]\",\n \"Tetrakis(hydroxymethyl)phosphonium Sulfate \": \"OC[P+](CO)(CO)CO.OC[P+](CO)(CO)CO.O=S([O-])([O-])=O\",\n \"Tetramethylammonium Acetate\": \"C[N+](C)(C)C.CC([O-])=O\",\n \"Tetramethylammonium Acetate \": \"C[N+](C)(C)C.CC([O-])=O\",\n \"Tetramethylammonium Bromide\": \"C[N+](C)(C)C.[Br-]\",\n \"Tetramethylammonium Chloride\": \"C[N+](C)(C)C.[Cl-]\",\n \"Tetramethylammonium Hexafluorophosphate\": \"C[N+](C)(C)C.F[P-](F)(F)(F)(F)F\",\n \"Tetramethylammonium Iodide\": \"C[N+](C)(C)C.[I-]\",\n \"Tetramethylammonium Sulfate\": \"C[N+](C)(C)C.C[N+](C)(C)C.O=S([O-])([O-])=O\",\n \"Tetramethylammonium Tetrafluoroborate\": \"C[N+](C)(C)C.F[B-](F)(F)F\",\n \"Tetra-n-octylammonium Bromide\": \"CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC.[Br-]\",\n \"Tetra-n-octylammonium Iodide\": \"CCCCCCCC[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC.[I-]\",\n \"Tetra-n-octylphosphonium Bromide\": \"CCCCCCCC[P+](CCCCCCCC)(CCCCCCCC)CCCCCCCC.[Br-]\",\n \"Tetraphenylphosphonium Bromide\": \"C1([P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)=CC=CC=C1.[Br-]\",\n \"Tetraphenylphosphonium Chloride\": \"C1([P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)=CC=CC=C1.[Cl-]\",\n \"Tetrapropylammonium Bromide\": \"CCC[N+](CCC)(CCC)CCC.[Br-]\",\n \"Tetrapropylammonium Chloride\": \"CCC[N+](CCC)(CCC)CCC.[Cl-]\",\n \"Tetrapropylammonium Iodide\": \"CCC[N+](CCC)(CCC)CCC.[I-]\",\n \"trans-2-Butene-1,4-bis(triphenylphosphonium Chloride)\": \"C1([P+](C/C=C/C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)=CC=CC=C1.[Cl-].[Cl-]\",\n \"Tributyl(cyanomethyl)phosphonium Chloride\": \"N#CC[P+](CCCC)(CCCC)CCCC.[Cl-]\",\n \"Tributyldodecylphosphonium Bromide\": \"CCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC.[Br-]\",\n \"Tributylhexadecylphosphonium Bromide\": \"CCCCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC.[Br-]\",\n \"Tributylmethylammonium Chloride\": \"C[N+](CCCC)(CCCC)CCCC.[Cl-]\",\n \"Tributyl-n-octylphosphonium Bromide\": \"CCCCCCCC[P+](CCCC)(CCCC)CCCC.[Br-]\",\n \"Triethylmethylammonium Chloride\": \"C[N+](CC)(CC)CC.[Cl-]\",\n \"Triethylphenylammonium Chloride\": \"CC[N+](CC)(CC)C1=CC=CC=C1.[Cl-]\",\n \"Trimethyl[2-[(trimethylsilyl)methyl]benzyl]ammonium Iodide\": \"C[Si](CC1=CC=CC=C1C[N+](C)(C)C)(C)C.[I-]\",\n \"Trimethylnonylammonium Bromide\": \"CCCCCCCCC[N+](C)(C)C.[Br-]\",\n \"Trimethylphenylammonium Bromide\": \"C[N+](C)(C)C1=CC=CC=C1.[Br-]\",\n \"Trimethylphenylammonium Chloride\": \"C[N+](C)(C)C1=CC=CC=C1.[Cl-]\",\n \"Trimethylphenylammonium Tribromide\": \"C[N+](C)(C)C1=CC=CC=C1.[Br-].[Br-].[Br-]\",\n \"Trimethylpropylammonium Bromide\": \"CCC[N+](C)(C)C.[Br-]\",\n \"Trimethylstearylammonium Bromide\": \"CCCCCCCCCCCCCCCCCC[N+](C)(C)C.[Br-]\",\n \"Trimethyltetradecylammonium Chloride\": \"CCCCCCCCCCCCCC[N+](C)(C)C.[Cl-]\",\n \"Trioctylmethylammonium Chloride\": \"C[N+](CCCCCCCC)(CCCCCCCC)CCCCCCCC.[Cl-]\",\n}","import { pascalize } from 'humps';\nimport React from 'react';\nimport { connect } from 'react-redux';\n\nimport { scanFile } from '../actions/fileActions';\nimport * as types from '../actions/ActionTypes';\nimport HeaderMenu from '../components/HeaderMenu';\nimport { CALL_API } from '../middleware/api';\n\nimport { extractReaction } from '../utils';\n\nconst HeaderMenuContainer = props => \n
\n \n
\n \n \n \n \n
\n );\n }\n}\n\nEditCommentBtn.propTypes = {\n onChangeComment: PropTypes.func.isRequired,\n comment: PropTypes.string.isRequired,\n itemId: PropTypes.number.isRequired,\n cdUid: PropTypes.string.isRequired,\n};\n","import Immutable from 'immutable';\nimport React from 'react';\nimport PropTypes from 'prop-types';\nimport { Label, Button } from 'react-bootstrap';\n\nclass ResinLabel extends React.Component {\n constructor() {\n super();\n\n this.onClickLabel = this.onClickLabel.bind(this);\n }\n\n onClickLabel() {\n const {\n onClick, moleculeId, atomId\n } = this.props;\n onClick(moleculeId, atomId);\n }\n\n render() {\n const { label, resin } = this.props;\n if (!label) return ;\n\n return (\n \n {moleculeLabel}\n
\n );\n}\n\nMoleculeDescription.propTypes = {\n molecule: PropTypes.instanceOf(Immutable.Map).isRequired,\n toggleResin: PropTypes.func.isRequired,\n label: PropTypes.string\n};\n\nMoleculeDescription.defaultProps = {\n label: '',\n};\n\nexport default MoleculeDescription;\n","import { pascalize } from 'humps';\nimport Immutable from 'immutable';\nimport React from 'react';\nimport PropTypes from 'prop-types';\n\nexport default class MoleculeDetails extends React.Component {\n constructor() {\n super();\n this.state = {\n expand: false\n };\n\n this.onClick = this.onClick.bind(this);\n }\n\n onClick() {\n const { expand } = this.state;\n this.setState({ expand: !expand });\n }\n\n render() {\n const { molecule } = this.props;\n const details = molecule.get('details').toJS();\n\n const detailsList = Object.keys(details).filter(k => details[k]).map(k => (\n - \n {Object.keys(description).map(k => (\n
- \n {`${k}: `}\n {description[k]}\n \n ))}\n {aliasList}\n
- {detailsList}
\n
\n );\n }\n}\n\nMoleculeDetails.propTypes = {\n molecule: PropTypes.instanceOf(Immutable.Map).isRequired,\n};\n","import Immutable from 'immutable';\nimport PropTypes from 'prop-types';\nimport React from 'react';\nimport { ListGroup, ListGroupItem } from 'react-bootstrap';\nimport SvgFileZoomPan from 'react-svg-file-zoom-pan';\n\nimport DeleteBtn from './DeleteBtn';\nimport SelectBtn from './SelectBtn';\nimport CopyClipboardBtn from './CopyClipboardBtn';\nimport EditCommentBtn from './EditCommentBtn';\nimport MoleculeDescription from './MoleculeDescription';\nimport MoleculeDetails from './MoleculeDetails';\n\nconst renderSvg = (svg) => {\n let newSvg = svg.replace(/\n \n \n \n {iconText} Details\n \n
\n \n {expand ? detailsUl : }\n
\n \n
\n );\n }\n}\n\nReactionDescription.propTypes = {\n reaction: PropTypes.instanceOf(Immutable.Map).isRequired,\n toggleResin: PropTypes.func.isRequired,\n};\n\n","import { pascalize } from 'humps';\nimport Immutable from 'immutable';\nimport PropTypes from 'prop-types';\nimport React from 'react';\nimport { Label } from 'react-bootstrap';\n\nexport default class ReactionDetails extends React.Component {\n constructor() {\n super();\n this.state = {\n expand: false\n };\n\n this.onClick = this.onClick.bind(this);\n }\n\n onClick() {\n const { expand } = this.state;\n this.setState({ expand: !expand });\n }\n\n render() {\n const { reaction } = this.props;\n const details = reaction.get('details').toJS() || {};\n\n const reactionDetails = Object.keys(details).reduce((acc, dKey) => {\n const arr = details[dKey];\n if (arr.length === 0) return acc;\n\n const keyList = arr.map((detail, idx) => (\n \n \n
\n {steps.map(step => (\n - \n
- \n status: \n {statusLabel}\n \n {Object.keys(rDesc).map(k => (\n
- \n {`${k}: `}\n {rDesc[k]}\n \n ))}\n
\n \n
\n ))}\n {['reactants', 'reagents', 'products'].reduce((arr, group) => {\n const groupMol = reaction.get(group);\n return arr.concat(groupMol.map((m, idx) => (\n - \n {\n ['description', 'temperature', 'time'].map((prop) => {\n const val = step[prop];\n const key = `reaction-${rId}-step-${step.number}-${prop}`;\n if (!val || val === '\\n') return ;\n\n return (\n
- \n {prop}: \n {val}\n \n );\n })\n }\n
- \n reagents: \n
- \n {step.reagents.map(x =>
- {x} )}\n
\n
\n \n
\n ));\n\n return acc.concat(keyList);\n }, []);\n\n const detailsList = ['reactants', 'reagents', 'products'].reduce((acc, group) => {\n const groupMol = reaction.get(group);\n if (!groupMol || groupMol.size === 0) return acc;\n\n const keyList = groupMol.reduce((mAcc, m, idx) => {\n const mDetail = m.get('details').toJS();\n const mDetailEls = Object.keys(mDetail).filter(k => mDetail[k]).map(k => (\n - \n {Object.keys(detail).filter(k => detail[k]).map(k => (\n
- {`${pascalize(k)}: `} {detail[k]} \n ))}\n
\n \n
\n ));\n\n return mAcc;\n }, []);\n\n return acc.concat(keyList);\n }, reactionDetails);\n\n if (detailsList.length === 0) return ;\n\n const { expand } = this.state;\n const iconClass = expand ? 'fa-angle-down' : 'fa-angle-right';\n const iconText = expand ? 'Hide' : 'More';\n\n return (\n - \n {mDetailEls}\n
\n
\n );\n }\n}\n\nReactionDetails.propTypes = {\n reaction: PropTypes.instanceOf(Immutable.Map).isRequired,\n};\n","import Immutable from 'immutable';\nimport PropTypes from 'prop-types';\nimport React from 'react';\nimport { ListGroup, ListGroupItem } from 'react-bootstrap';\nimport SvgFileZoomPan from 'react-svg-file-zoom-pan';\n\nimport DeleteBtn from './DeleteBtn';\nimport SelectBtn from './SelectBtn';\nimport CopyClipboardBtn from './CopyClipboardBtn';\nimport EditCommentBtn from './EditCommentBtn';\nimport ReactionDescription from './ReactionDescription';\nimport ReactionDetails from './ReactionDetails';\n\nconst renderSvg = (svg) => {\n let newSvg = svg.replace(/\n \n \n \n {iconText} Details\n \n
\n \n {expand ? detailsList : }\n
\n \n
\n \n {file.get('cds').map((cd) => {\n const cdUid = cd.get('cdUid');\n const csContent = `chemscanner-content-${uid}-${cdUid}`;\n const imgContent = cd.get('b64png') || cd.get('svg');\n\n return (\n
\n \n
\n );\n })}\n | \n \n \n {checkedAll ? \"Deselect all\" : \"Select all\"}\n \n | \n
|---|
\n
| \n
\n \n this.handleCounterChange(klass.name, e.target.value)} min={0} />\n \n
\n
\n );\n });\n if (klasses && klasses.length === 0) return ();\n return (\n {tip1}
{tip2}
);\n const pop = (\n {tip2}
\n \n 
\n {txt}\n
\n ) : ({tip2}}>
{txt}
{show(opt, iconClass)}
);\n }\n}\n\nexport default\nDropTarget(props => props.opt.dndItems, dropTarget, dropCollect)(GenericElDropTarget);\n\nGenericElDropTarget.propTypes = {\n connectDropTarget: PropTypes.func.isRequired,\n isOver: PropTypes.bool.isRequired,\n canDrop: PropTypes.bool.isRequired,\n};\n","import React from 'react';\nimport { Checkbox, FormGroup, FormControl, Button, Tooltip, OverlayTrigger, InputGroup, Radio, Modal, ListGroup, ListGroupItem, Row, Col } from 'react-bootstrap';\nimport uuid from 'uuid';\nimport { filter } from 'lodash';\nimport Select from 'react-select';\nimport Dropzone from 'react-dropzone';\nimport GenericElDropTarget from './GenericElDropTarget';\nimport { genUnit, genUnitSup, FieldLabel, unitConvToBase } from '../../admin/generic/Utils';\nimport TableRecord from './TableRecord';\nimport Utils from '../utils/Functions';\n\nconst downloadTooltip = \n
\n );\n};\n\nconst GenPropertiesUpload = (opt) => {\n const fieldHeader = opt.label === '' ? null : \n
\n {delBtn}
\n {filename}
\n \n \n opt.onChange({\n ...opt.value, action: 'l', uid: attachment.uid, val: e\n })}\n />\n \n
\n (This is an upload)
);\n\n return (\n \n Drop File, or Click to Select.\n
\n \n {e.value}
;\n const fTxt = e => \n associate with this sample}>\n opt.onChange({ ...opt.value, cr_opt: 0 })} inline>Current \n \n split from the sample first and then associate with it}>\n opt.onChange({ ...opt.value, cr_opt: 1 })} inline>Split \n \n duplicate the sample first and then associate with it}>\n opt.onChange({ ...opt.value, cr_opt: 2 })} inline>Copy \n \n
\n );\n }\n const fieldHeader = opt.label === '' ? null : \n
\n \n remove}>\n \n \n
\n );\n\nconst DnDRowBtn = ({\n moveRow, field, type, node\n}) => (\n
\n {headerComponent ? headerComponent(headerParams) : null}\n
\n );\n };\n columnDefs.forEach((col, idx) => ch.push(h(col, idx)));\n return ({headerName}
\n {ch}
\n {field ? (setCell(col, val) || '') : (cellRenderer({ ...cellParams, node: { data: val } }) || '')}\n
\n );\n };\n columnDefs.forEach((col, idx) => ch.push(h(col, rowValue, idx)));\n return ({ch}
(No data)
\n \n \n \n
\n ) : (\n remove this molecule}>\n \n \n
\n {txt}
));\n return simg(svg, label);\n }\n return ();\n};\n\nconst show = (opt, iconClass, onDrop) => {\n if (opt.type === 'table') {\n const sField = opt.sField || {};\n const subVal = opt.data[sField.id];\n const { data } = opt;\n return base(subVal, iconClass, onDrop, { sField, data });\n }\n return base(opt, iconClass);\n};\n\nconst source = (type, props, id) => {\n let isAssoc = false;\n const taggable = (props && props.tag && props.tag.taggable_data) || {};\n if (taggable.element && taggable.element.id === id) {\n isAssoc = false;\n } else {\n isAssoc = !!(taggable.reaction_id || taggable.wellplate_id || taggable.element);\n }\n\n switch (type) {\n case 'molecule':\n return {\n el_id: props.molecule.id,\n el_type: 'molecule',\n el_label: props.molecule.cano_smiles || props.molecule_formula || props.molecule_name_label,\n el_inchikey: props.molecule.inchikey,\n el_smiles: props.molecule.cano_smiles,\n el_iupac: props.molecule.iupac_name,\n el_molecular_weight: props.molecule.molecular_weight,\n el_svg: `/images/molecules/${props.molecule.molecule_svg_file}`,\n };\n case 'sample':\n return {\n el_id: props.id,\n is_new: true,\n cr_opt: 1,\n isAssoc,\n el_type: 'sample',\n el_label: props.short_label,\n el_short_label: props.short_label,\n el_name: props.name,\n el_external_label: props.external_label,\n el_molecular_weight: props.molecule_molecular_weight,\n el_svg: props.sample_svg_file ? `/images/samples/${props.sample_svg_file}` : `/images/molecules/${props.molecule.molecule_svg_file}`,\n };\n default:\n return {\n el_id: props.id,\n is_new: true,\n cr_opt: 0,\n el_type: props.type,\n el_label: props.short_label,\n };\n }\n};\n\nconst dropTarget = {\n drop(targetProps, monitor) {\n const sourceProps = monitor.getItem().element;\n const type = targetProps.opt.sField.type.split('_')[1];\n const sourceTag = source(type, sourceProps, targetProps.opt.id);\n targetProps.onDrop(sourceTag, targetProps.opt);\n },\n canDrop(targetProps, monitor) {\n return true;\n },\n};\n\nconst dropCollect = (connect, monitor) => ({\n connectDropTarget: connect.dropTarget(),\n isOver: monitor.isOver(),\n canDrop: monitor.canDrop()\n});\n\nclass GenericElTableDropTarget extends Component {\n render() {\n const {\n connectDropTarget, isOver, canDrop, opt, onDrop\n } = this.props;\n const className = `target${isOver ? ' is-over' : ''}${canDrop ? ' can-drop' : ''}`;\n return connectDropTarget({show(opt, 'sample', onDrop)}
);\n }\n}\n\nexport default\nDropTarget(props => props.opt.dndItems, dropTarget, dropCollect)(GenericElTableDropTarget);\n\nGenericElTableDropTarget.propTypes = {\n connectDropTarget: PropTypes.func.isRequired,\n isOver: PropTypes.bool.isRequired,\n canDrop: PropTypes.bool.isRequired,\n opt: PropTypes.object.isRequired,\n onDrop: PropTypes.func\n};\n\nGenericElTableDropTarget.defaultProps = { onDrop: () => {} };\n","/* eslint-disable react/forbid-prop-types */\nimport React from 'react';\nimport PropTypes from 'prop-types';\nimport { cloneDeep } from 'lodash';\nimport GenericElTableDropTarget from './GenericElTableDropTarget';\n\nconst DropRenderer = (props) => {\n const {\n opt, sField, onChange, node\n } = props;\n if (!['drag_molecule', 'drag_sample'].includes(sField.type)) return null;\n const { data } = node;\n opt.dndItems = [sField.type.split('_')[1]];\n opt.sField = sField;\n opt.data = data;\n const oopt = cloneDeep(opt);\n return (\n \n
\n );\n};\n\nDropRenderer.propTypes = {\n sField: PropTypes.object.isRequired,\n opt: PropTypes.object.isRequired,\n onChange: PropTypes.func.isRequired,\n node: PropTypes.object.isRequired\n};\n\nexport default DropRenderer;\n","/* eslint-disable react/forbid-prop-types */\nimport React from 'react';\nimport PropTypes from 'prop-types';\nimport { OverlayTrigger, Tooltip } from 'react-bootstrap';\n\nconst DropTextRenderer = (props) => {\n const { attr, sField, node } = props;\n let displayValue = ((node.data[sField.id] || {}).value || {})[`el_${attr.value}`] || '';\n displayValue = (attr.value === 'molecular_weight' && displayValue !== '') ? displayValue.toFixed(6) : displayValue;\n return (\n \n {displayValue}\n
\n \n associate with this sample}>\n onChange({ node, subField: sField, crOpt: 0 })}\n >\n Current\n \n \n split from the sample first and then associate with it}>\n onChange({ node, subField: sField, crOpt: 1 })}\n >\n Split\n \n \n duplicate the sample first and then associate with it}>\n onChange({ node, subField: sField, crOpt: 2 })}\n >\n Copy\n \n \n
\n );\n};\n\nSamOption.propTypes = {\n sField: PropTypes.object.isRequired,\n node: PropTypes.object.isRequired,\n onChange: PropTypes.func.isRequired\n};\n\nexport default SamOption;\n","/* eslint-disable no-empty */\n/* eslint-disable react/forbid-prop-types */\nimport PropTypes from 'prop-types';\nimport React from 'react';\nimport Numeral from 'numeral';\nimport GenericSubField from '../models/GenericSubField';\nimport { AddRowBtn, DelRowBtn, DnDRowBtn, NullRowBtn } from './GridBtn';\nimport { ColumnHeader, ColumnRow, NoRow } from './GridEntry';\nimport UConverterRenderer from './UConverterRenderer';\nimport { genUnits, unitConversion, molOptions, samOptions } from '../../admin/generic/Utils';\nimport DropRenderer from './DropRenderer';\nimport DropTextRenderer from './DropTextRenderer';\nimport DropLinkRenderer from './DropLinkRenderer';\nimport SampOption from './SamOption';\nimport DragDropItemTypes from '../DragDropItemTypes';\n\nexport default class TableRecord extends React.Component {\n constructor(props) {\n super(props);\n this.delRow = this.delRow.bind(this);\n this.addRow = this.addRow.bind(this);\n this.moveRow = this.moveRow.bind(this);\n this.onCellChange = this.onCellChange.bind(this);\n this.onUnitClick = this.onUnitClick.bind(this);\n this.onDrop = this.onDrop.bind(this);\n this.onChk = this.onChk.bind(this);\n this.getColumns = this.getColumns.bind(this);\n }\n\n onCellChange(params) {\n const { e, columnDef, rowValue } = params;\n const newValue = e.target.value;\n const oldValue = rowValue[columnDef.field].value;\n if (oldValue === newValue) return;\n if (columnDef.type === 'text') {\n rowValue[columnDef.field] = newValue;\n }\n if (columnDef.type === 'system-defined') {\n if (isNaN(newValue)) return;\n rowValue[columnDef.field].value = Numeral(newValue).value();\n }\n const { opt } = this.props;\n const subVals = opt.f_obj.sub_values || [];\n const idx = subVals.findIndex(s => s.id === rowValue.id);\n subVals.splice(idx, 1, rowValue);\n opt.f_obj.sub_values = subVals;\n opt.onSubChange(0, 0, opt.f_obj, true);\n }\n\n onUnitClick(subField, node) {\n const { data } = node;\n const { opt } = this.props;\n const subVals = opt.f_obj.sub_values || [];\n const subVal = subVals.find(s => s.id === data.id);\n const units = genUnits(subField.option_layers);\n let uIdx = units.findIndex(u => u.key === subVal[subField.id].value_system);\n if (uIdx < units.length - 1) uIdx += 1; else uIdx = 0;\n const vs = units.length > 0 ? units[uIdx].key : '';\n const v = unitConversion(subField.option_layers, vs, subVal[subField.id].value);\n subVal[subField.id] = { value: v, value_system: vs };\n const idx = subVals.findIndex(s => s.id === data.id);\n subVals.splice(idx, 1, subVal);\n opt.f_obj.sub_values = subVals;\n opt.onSubChange(subField, subField.id, opt.f_obj, true);\n }\n\n onDrop(targetProps, targetOpt) {\n const { opt } = this.props;\n const subField = targetOpt.sField;\n const subVals = opt.f_obj.sub_values || [];\n const subVal = subVals.find(s => s.id === targetOpt.data.id);\n subVal[subField.id] = { value: targetProps };\n const idx = subVals.findIndex(s => s.id === targetOpt.data.id);\n subVals.splice(idx, 1, subVal);\n opt.f_obj.sub_values = subVals;\n opt.onSubChange(subField, subField.id, opt.f_obj, true);\n }\n\n onChk(params) {\n const { node, subField, crOpt } = params;\n const { opt } = this.props;\n const subVals = opt.f_obj.sub_values || [];\n const subVal = subVals.find(s => s.id === node.data.id);\n node.data[subField.id].value.cr_opt = crOpt;\n subVal[subField.id] = { value: node.data[subField.id].value };\n const idx = subVals.findIndex(s => s.id === node.data.id);\n subVals.splice(idx, 1, subVal);\n opt.f_obj.sub_values = subVals;\n opt.onSubChange(subField, subField.id, opt.f_obj, true);\n }\n\n getColumns() {\n const { opt } = this.props;\n const sValues = (opt.f_obj.sub_values || []);\n let columnDefs = [];\n (opt.f_obj.sub_fields || []).forEach((sF) => {\n let colDef = {\n type: sF.type, headerName: sF.col_name, field: sF.id\n };\n const colDefExt = [];\n if (sF.type === 'text') {\n colDef = Object.assign({}, colDef, {\n editable: true, onCellChange: this.onCellChange\n });\n }\n if (sF.type === 'system-defined') {\n const cellParams = { sField: sF, onChange: this.onUnitClick };\n colDef = Object.assign({}, colDef, {\n cellRenderer: UConverterRenderer, cellParams, onCellChange: this.onCellChange\n });\n }\n if (sF.type === 'drag_molecule') {\n const cellParams = { sField: sF, opt, onChange: this.onDrop };\n colDef = Object.assign({}, colDef, {\n cellRenderer: DropRenderer, cellParams, onCellChange: this.onCellChange, width: '5vw'\n });\n const conf = ((sF.value || '').split(';') || []);\n conf.forEach((c) => {\n const attr = molOptions.find(m => m.value === c);\n if (attr) {\n const ext = {\n colId: c, editable: false, type: 'text', headerName: attr.label, cellRenderer: DropTextRenderer, cellParams: { attr, sField: sF }\n };\n colDefExt.push(ext);\n }\n });\n }\n if (sF.type === 'drag_sample') {\n const sOpt = sValues.filter(o => o[sF.id] && o[sF.id].value && o[sF.id].value.is_new);\n const cellParams = { sField: sF, opt, onChange: this.onDrop };\n colDef = Object.assign({}, colDef, {\n cellRenderer: DropRenderer, cellParams, onCellChange: this.onCellChange, width: '5vw'\n });\n const addOption = {\n colId: 'sam_option', editable: false, type: 'text', headerName: '', cellRenderer: SampOption, cellParams: { sField: sF, onChange: this.onChk }, width: '3vw'\n };\n if (sOpt.length > 0) colDefExt.push(addOption);\n const addLink = {\n colId: 'sam_link', editable: false, type: 'text', headerName: 'Short label', cellRenderer: DropLinkRenderer, cellParams: { sField: sF }, width: '5vw'\n };\n colDefExt.push(addLink);\n const conf = ((sF.value || '').split(';') || []);\n conf.forEach((c) => {\n const attr = samOptions.find(m => m.value === c);\n if (attr) {\n const ext = {\n colId: c, editable: false, type: 'text', headerName: attr.label, cellRenderer: DropTextRenderer, cellParams: { attr, sField: sF }\n };\n colDefExt.push(ext);\n }\n });\n }\n columnDefs.push(colDef);\n if (colDefExt.length > 0) columnDefs = columnDefs.concat(colDefExt);\n });\n const act = {\n type: 'button',\n headerName: '',\n colId: opt.f_obj.field,\n headerComponent: AddRowBtn,\n headerParams: { addRow: this.addRow },\n cellRenderer: DelRowBtn,\n cellParams: { delRow: this.delRow },\n width: 'unset',\n };\n columnDefs.splice(0, 0, act);\n const dtype = `${DragDropItemTypes.GENERIC_GRID}_${opt.layer.key}_${opt.f_obj.field}`;\n const move = {\n type: 'dnd',\n field: opt.f_obj.field,\n headerName: '',\n colId: `${opt.f_obj.field}_dnd`,\n headerComponent: NullRowBtn,\n cellRenderer: DnDRowBtn,\n cellParams: { moveRow: this.moveRow, field: opt.f_obj.field, type: dtype },\n width: 'unset',\n };\n columnDefs.splice(0, 0, move);\n return columnDefs;\n }\n\n moveRow(source, target) {\n const { opt } = this.props;\n const alles = opt.f_obj.sub_values;\n const sid = alles.findIndex(e => e.id === source);\n const tid = alles.findIndex(e => e.id === target);\n const temp = alles[sid];\n alles[sid] = alles[tid];\n alles[tid] = temp;\n opt.onSubChange(0, 0, opt.f_obj, true);\n }\n\n delRow(rowData) {\n const { opt } = this.props;\n opt.f_obj.sub_values = opt.f_obj.sub_values.filter(s => s.id !== rowData.id);\n opt.onSubChange(0, 0, opt.f_obj, true);\n }\n\n addRow() {\n const { opt } = this.props;\n const subFields = opt.f_obj.sub_fields || [];\n const newSub = new GenericSubField();\n subFields.map((e) => {\n if (e.type === 'text') return Object.assign(newSub, { [e.id]: '' });\n return Object.assign(newSub, { [e.id]: { value: '', value_system: e.value_system } });\n });\n opt.f_obj.sub_values = opt.f_obj.sub_values || [];\n opt.f_obj.sub_values.push(newSub);\n opt.onSubChange(0, 0, opt.f_obj, true);\n }\n\n render() {\n const { opt } = this.props;\n const columnDefs = this.getColumns();\n if (opt.isSearchCriteria) return ((This is a table)
);\n if ((opt.f_obj.sub_fields || []).length < 1) return null;\n return (\n \n {ColumnHeader(columnDefs)}\n
\n );\n }\n}\n\nTableRecord.propTypes = {\n opt: PropTypes.object.isRequired,\n};\n","export default class SharingShortcuts {\n static user() {\n return {\n permissionLevel: 3,\n sampleDetailLevel: 10,\n reactionDetailLevel: 10,\n wellplateDetailLevel: 10,\n screenDetailLevel: 10\n }\n }\n\n static partner() {\n return {\n permissionLevel: 1,\n sampleDetailLevel: 10,\n reactionDetailLevel: 0,\n wellplateDetailLevel: 10,\n screenDetailLevel: 1\n }\n }\n\n static collaborator() {\n return {\n permissionLevel: 0,\n sampleDetailLevel: 1,\n reactionDetailLevel: 0,\n wellplateDetailLevel: 0,\n screenDetailLevel: 0\n }\n }\n\n static reviewer() {\n return {\n permissionLevel: 0,\n sampleDetailLevel: 2,\n reactionDetailLevel: 10,\n wellplateDetailLevel: 1,\n screenDetailLevel: 0\n }\n }\n\n static supervisor() {\n return {\n permissionLevel: 4,\n sampleDetailLevel: 10,\n reactionDetailLevel: 10,\n wellplateDetailLevel: 10,\n screenDetailLevel: 10\n }\n }\n}\n","import React from 'react';\nimport PropTypes from 'prop-types';\nimport {Button, FormGroup, FormControl, ControlLabel} from 'react-bootstrap';\nimport Select from 'react-select';\n\nimport {debounce} from 'lodash';\n\nimport SharingShortcuts from '../sharing/SharingShortcuts';\n\nimport CollectionActions from '../actions/CollectionActions';\nimport UserActions from '../actions/UserActions';\nimport UIStore from '../stores/UIStore';\nimport UserStore from '../stores/UserStore';\nimport UsersFetcher from '../fetchers/UsersFetcher';\nimport MatrixCheck from '../common/MatrixCheck';\nimport klasses from '../../../../../config/klasses.json';\n\nexport default class ManagingModalSharing extends React.Component {\n\n constructor(props) {\n super(props);\n\n // TODO update for new check/uncheck info\n let {currentUser} = UserStore.getState();\n this.state = {\n currentUser: currentUser,\n role:'Pick a sharing role',\n permissionLevel: props.permissionLevel,\n sampleDetailLevel: props.sampleDetailLevel,\n reactionDetailLevel: props.reactionDetailLevel,\n wellplateDetailLevel: props.wellplateDetailLevel,\n screenDetailLevel: props.screenDetailLevel,\n elementDetailLevel: props.elementDetailLevel,\n selectedUsers: null,\n }\n\n this.onUserChange = this.onUserChange.bind(this);\n this.handleSelectUser = this.handleSelectUser.bind(this);\n this.handleSharing = this.handleSharing.bind(this);\n this.promptTextCreator = this.promptTextCreator.bind(this);\n\n // this.loadUserByName = debounce(this.loadUserByName.bind(this), 300);\n this.loadUserByName = this.loadUserByName.bind(this);\n }\n\n componentDidMount() {\n UserStore.listen(this.onUserChange);\n UserActions.fetchCurrentUser();\n }\n\n componentWillUnmount() {\n UserStore.unlisten(this.onUserChange);\n }\n\n onUserChange(state) {\n this.setState({\n currentUser: state.currentUser\n })\n }\n\n isElementSelectionEmpty(element) {\n return !element.checkedAll &&\n element.checkedIds.size == 0 &&\n element.uncheckedIds.size == 0;\n }\n\n isSelectionEmpty(uiState) {\n let isSampleSelectionEmpty = this.isElementSelectionEmpty(uiState.sample);\n let isReactionSelectionEmpty = this.isElementSelectionEmpty(uiState.reaction);\n let isWellplateSelectionEmpty = this.isElementSelectionEmpty(uiState.wellplate);\n let isScreenSelectionEmpty = this.isElementSelectionEmpty(uiState.screen);\n\n let isElementSelectionEmpty = false;\n\n const currentUser = (UserStore.getState() && UserStore.getState().currentUser) || {};\n if (MatrixCheck(currentUser.matrix, 'genericElement')) {\n\n // eslint-disable-next-line no-unused-expressions\n klasses && klasses.forEach((klass) => {\n isElementSelectionEmpty = isElementSelectionEmpty && this.isElementSelectionEmpty(uiState[`${klass}`]);\n });\n }\n\n\n return isSampleSelectionEmpty && isReactionSelectionEmpty &&\n isWellplateSelectionEmpty && isScreenSelectionEmpty &&\n isElementSelectionEmpty;\n }\n\n filterParamsWholeCollection(uiState) {\n let collectionId = uiState.currentCollection.id;\n let filterParams = {\n sample: {\n all: true,\n included_ids: [],\n excluded_ids: [],\n collection_id: collectionId\n },\n reaction: {\n all: true,\n included_ids: [],\n excluded_ids: [],\n collection_id: collectionId\n },\n wellplate: {\n all: true,\n included_ids: [],\n excluded_ids: [],\n collection_id: collectionId\n },\n screen: {\n all: true,\n included_ids: [],\n excluded_ids: [],\n collection_id: collectionId\n },\n research_plan: {\n all: true,\n included_ids: [],\n excluded_ids: [],\n collection_id: collectionId\n },\n currentSearchSelection: uiState.currentSearchSelection\n };\n\n klasses && klasses.forEach((klass) => {\n filterParams[`${klass}`] = {\n all: true,\n included_ids: [],\n excluded_ids: [],\n collection_id: collectionId\n };\n });\n\n console.log(filterParams);\n return filterParams;\n }\n\n filterParamsFromUIState(uiState) {\n let collectionId = uiState.currentCollection.id;\n\n let filterParams = {\n sample: {\n all: uiState.sample.checkedAll,\n included_ids: uiState.sample.checkedIds,\n excluded_ids: uiState.sample.uncheckedIds,\n collection_id: collectionId\n },\n reaction: {\n all: uiState.reaction.checkedAll,\n included_ids: uiState.reaction.checkedIds,\n excluded_ids: uiState.reaction.uncheckedIds,\n collection_id: collectionId\n },\n wellplate: {\n all: uiState.wellplate.checkedAll,\n included_ids: uiState.wellplate.checkedIds,\n excluded_ids: uiState.wellplate.uncheckedIds,\n collection_id: collectionId\n },\n screen: {\n all: uiState.screen.checkedAll,\n included_ids: uiState.screen.checkedIds,\n excluded_ids: uiState.screen.uncheckedIds,\n collection_id: collectionId\n },\n research_plan: {\n all: uiState.research_plan.checkedAll,\n included_ids: uiState.research_plan.checkedIds,\n excluded_ids: uiState.research_plan.uncheckedIds,\n collection_id: collectionId\n },\n currentSearchSelection: uiState.currentSearchSelection\n };\n\n klasses && klasses.forEach((klass) => {\n filterParams[`${klass}`] = {\n all: uiState[`${klass}`].checkedAll,\n included_ids: uiState[`${klass}`].checkedIds,\n excluded_ids: uiState[`${klass}`].uncheckedIds,\n collection_id: collectionId\n };\n });\n console.log(filterParams);\n\n return filterParams;\n }\n\n handleSharing() {\n const {\n permissionLevel, sampleDetailLevel, reactionDetailLevel,\n wellplateDetailLevel, screenDetailLevel, elementDetailLevel\n } = this.state;\n\n const params = {\n id: this.props.collectionId,\n collection_attributes: {\n permission_level: permissionLevel,\n sample_detail_level: sampleDetailLevel,\n reaction_detail_level: reactionDetailLevel,\n wellplate_detail_level: wellplateDetailLevel,\n screen_detail_level: screenDetailLevel,\n element_detail_level: elementDetailLevel\n },\n };\n\n if (this.props.collAction === \"Create\") {\n const userIds = this.state.selectedUsers;\n const uiState = UIStore.getState();\n const currentCollection = uiState.currentCollection;\n const filterParams =\n this.isSelectionEmpty(uiState)\n ? this.filterParamsWholeCollection(uiState)\n : this.filterParamsFromUIState(uiState);\n const fullParams = {\n ...params,\n elements_filter: filterParams,\n user_ids: userIds,\n currentCollection\n };\n CollectionActions.createSharedCollections(fullParams);\n }\n\n if (this.props.collAction === 'Update') { CollectionActions.updateSharedCollection(params); }\n\n if (this.props.collAction === 'EditSync') { CollectionActions.editSync(params); }\n\n if (this.props.collAction === 'CreateSync') {\n const userIds = this.state.selectedUsers;\n const fullParams = {\n ...params,\n user_ids: userIds,\n };\n CollectionActions.createSync(fullParams);\n }\n\n this.props.onHide();\n }\n\n handleShortcutChange(e) {\n let val = e.target.value\n let permAndDetLevs = {}\n switch(val) {\n case 'user':\n permAndDetLevs = SharingShortcuts.user();\n break;\n case 'partner':\n permAndDetLevs = SharingShortcuts.partner();\n break;\n case 'collaborator':\n permAndDetLevs = SharingShortcuts.collaborator();\n break;\n case 'reviewer':\n permAndDetLevs = SharingShortcuts.reviewer();\n break;\n case 'supervisor':\n permAndDetLevs = SharingShortcuts.supervisor();\n break;\n }\n this.setState({...permAndDetLevs,role:val});\n }\n\n handlePLChange(e) {\n let val = e.target.value\n this.setState({\n role:'Pick a sharing role',\n permissionLevel: val\n });\n }\n\n handleDLChange(e,elementType){\n let val = e.target.value\n let state = {}\n state[elementType+'DetailLevel'] = val\n state.role = 'Pick a sharing role'\n this.setState(state)\n }\n\n handleSelectUser(val) {\n if (val) {\n this.setState({selectedUsers: val})\n }\n }\n\n loadUserByName(input) {\n let {selectedUsers} = this.state;\n\n if (!input) {\n return Promise.resolve({ options: [] });\n }\n\n return UsersFetcher.fetchUsersByName(input)\n .then((res) => {\n let usersEntries = res.users.filter(u => u.id != this.state.currentUser.id)\n .map(u => {\n return {\n value: u.id,\n name: u.name,\n label: u.name + \" (\" + u.abb + \")\"\n }\n });\n return {options: usersEntries};\n }).catch((errorMessage) => {\n console.log(errorMessage);\n });\n }\n\n promptTextCreator(label) {\n return (\"Share with \\\"\" + label + \"\\\"\");\n }\n\n selectUsers() {\n let style = this.props.selectUsers ? {} : {display: 'none'};\n let {selectedUsers} = this.state;\n\n return(\n {NoRow(opt.f_obj.sub_values)}
\n {(opt.f_obj.sub_values || []).map(s => ColumnRow(columnDefs, s))}
\n \n Select Users to share with \n
\n )\n }\n\n render() {\n const displayWarning = (this.state.permissionLevel || '') === '5' ? 'inline-block' : 'none';\n return (\n \n \n Role \n this.handleShortcutChange(e)}>\n \n \n \n \n \n \n \n \n \n Permission level \n this.handlePLChange(e)}\n value={this.state.permissionLevel || ''}>\n \n \n \n \n \n \n \n \n \n Sample detail level \n this.handleDLChange(e,'sample')}\n value={this.state.sampleDetailLevel || ''}>\n \n \n \n \n \n \n \n \n Reaction detail level \n this.handleDLChange(e,'reaction')}\n value={this.state.reactionDetailLevel || ''}>\n \n \n \n \n \n Wellplate detail level \n this.handleDLChange(e,'wellplate')}\n value={this.state.wellplateDetailLevel || ''}>\n \n \n \n \n \n \n Screen detail level \n this.handleDLChange(e,'screen')}\n value={this.state.screenDetailLevel || ''}>\n \n \n \n \n \n Element detail level \n this.handleDLChange(e,'element')}\n value={this.state.elementDetailLevel || ''}>\n \n \n \n {this.selectUsers()}\n
\n \n
\n )\n }\n}\n\nManagingModalSharing.propTypes = {\n collectionId: PropTypes.number,\n collAction: PropTypes.string,\n selectUsers: PropTypes.bool,\n permissionLevel: PropTypes.number,\n sampleDetailLevel: PropTypes.number,\n reactionDetailLevel: PropTypes.number,\n wellplateDetailLevel: PropTypes.number,\n screenDetailLevel: PropTypes.number,\n elementDetailLevel: PropTypes.number,\n onHide: PropTypes.func.isRequired,\n listSharedCollections: PropTypes.bool\n};\n\nManagingModalSharing.defaultProps = {\n collectionId: null,\n collAction: \"Create\",\n selectUsers: true,\n permissionLevel: 0,\n sampleDetailLevel: 0,\n reactionDetailLevel: 0,\n wellplateDetailLevel: 0,\n screenDetailLevel: 0,\n elementDetailLevel: 10\n};\n","import Element from './Element'\nimport uuid from 'uuid';\n\nexport default class AnalysesExperiment extends Element{\n constructor({\n id, devices_analysis_id, holder_id, status, solvent, experiment, priority, on_day, sample_analysis_id,\n number_of_scans, sweep_width, time, analysis_barcode, sample_short_label, sample_id, devices_sample_id\n }) {\n const analysis = {\n id: id,\n deviceAnalysisId: devices_analysis_id,\n holderId: holder_id,\n status: status,\n solvent: solvent,\n experiment: experiment,\n priority: priority,\n onDay: on_day,\n numberOfScans: number_of_scans,\n sweepWidth: sweep_width,\n time: time,\n analysisBarcode: analysis_barcode,\n sampleShortLabel: sample_short_label,\n sampleId: sample_id,\n deviceSampleId: devices_sample_id,\n sampleAnalysisId: sample_analysis_id,\n }\n super(analysis)\n }\n\n static buildEmpty(sampleId, sampleShortLabel, sampleAnalysisId, deviceSampleId) {\n return new AnalysesExperiment({\n id: uuid.v1(),\n devices_sample_id: deviceSampleId,\n devices_analysis_id: null,\n holder_id: null,\n status: \"\",\n solvent: \"\",\n experiment: \"\",\n priority: false,\n on_day: true,\n number_of_scans: 0,\n sweep_width: 0,\n time: \"\",\n analysis_barcode: \"\",\n sample_short_label: sampleShortLabel,\n sample_id: sampleId,\n sample_analysis_id: sampleAnalysisId,\n })\n }\n\n serialize() {\n const serialized = super.serialize({ \n devices_analysis_id: this.deviceAnalysisId,\n holder_id: this.holderId,\n status: this.status,\n solvent: this.solvent,\n experiment: this.experiment,\n priority: this.priority,\n on_day: this.onDay,\n number_of_scans: parseInt(this.numberOfScans, 10),\n sweep_width: parseInt(this.sweepWidth, 10),\n time: this.time,\n sample_id: this.sampleId,\n devices_sample_id: this.deviceSampleId,\n sample_analysis_id: this.sampleAnalysisId,\n })\n return serialized\n }\n\n buildConfig() {\n const configMap = {\n 'SOLVENT': this.solvent,\n 'EXPERIMENT': this.experiment,\n 'NAME': this.sampleShortLabel,\n 'BARCODE': this.analysisBarcode,\n 'PARAMETERS': `ns, ${this.numberOfScans}, sw, ${this.sweepWidth}`\n }\n const conditionedNight = !this.onDay ? {'NIGHT': null} : {}\n const conditionedPriority = this.priority ? {'PRIORITY': null} : {}\n return {\n sample_id: this.sampleId,\n data: [{\n ...configMap,\n ...conditionedNight,\n ...conditionedPriority\n }]\n }\n }\n}\n\n","export const filePreview = (file) => {\n return file.type.split('/')[0] === 'image' ? file.preview : '/images/wild_card/not_available.svg';\n};\n","import Element from './Element';\nimport { filePreview } from '../../helper/index';\n\nexport default class Attachment extends Element {\n static fromFile(file) {\n return new Attachment({\n file,\n name: file.name,\n filename: file.name,\n identifier: file.id,\n is_deleted: false,\n preview: filePreview(file),\n });\n }\n\n get preview() {\n return this._preview;\n }\n\n set preview(preview) {\n this._preview = preview;\n }\n\n serialize() {\n return super.serialize({\n filename: this.filename,\n identifier: this.identifier,\n file: this.file,\n thumb: this.thumb,\n content_type: this.content_type,\n is_deleted: this.is_deleted,\n });\n }\n}\n","import Element from './Element';\n\nexport default class Container extends Element {\n static buildEmpty() {\n return new Container({\n name: 'new',\n children: [],\n attachments: [],\n is_deleted: false,\n description: '',\n extended_metadata: {\n report: true,\n },\n container_type: '',\n });\n }\n\n static buildAnalysis(kind='other',name='') {\n var analysis = this.buildEmpty()\n analysis.container_type = \"analysis\"\n analysis.extended_metadata['kind'] = kind\n analysis.name = name\n return analysis\n }\n\n static init(){\n var root = this.buildEmpty();\n root.container_type = 'root';\n\n var analyses = this.buildEmpty();\n analyses.container_type = 'analyses';\n\n root.children.push(analyses);\n\n return root;\n }\n\n name() {\n return this.name;\n }\n\n serialize() {\n return super.serialize({\n id: this.id,\n name: this.name,\n children: this.children,\n attachments: this.attachments.map(a => a.serialize()),\n is_new: this.isNew || false,\n is_deleted: this.deleted || false,\n description: this.description,\n extended_metadata: this.extended_metadata,\n container_type: this.container_type,\n })\n }\n}\n","import Element from './Element';\nimport DeviceAnalysis from './DeviceAnalysis';\nimport DeviceSample from './DeviceSample';\n\nexport default class Device extends Element{\n constructor({id, title, code, types, user_id, samples, devices_analyses}) {\n const device = {\n id,\n title,\n code,\n types,\n user_id,\n type: 'device',\n samples: samples.map(s => new DeviceSample(s)),\n devicesAnalyses: devices_analyses.map(analysis => new DeviceAnalysis(analysis))\n }\n super(device)\n }\n \n checksum() {\n return super.checksum(\n ['user_id', 'id', 'is_new', 'isNew', 'isEdited', 'isPendingToSave', 'devicesAnalyses', 'samples']\n )\n }\n\n static buildEmpty() {\n return new Device({\n type: 'device',\n code: \"\",\n types: [],\n samples: [],\n title: \"New Device\",\n devices_analyses: []\n })\n }\n \n serialize() {\n const serialized = super.serialize({ \n id: this.id,\n code: this.code,\n types: this.types,\n samples: this.samples.map(s => s.serialize()),\n title: this.title,\n })\n return serialized\n }\n}\n","import Element from './Element'\nimport AnalysesExperiment from './AnalysesExperiment'\nimport _ from 'lodash'\n\nexport default class DeviceAnalysis extends Element{\n constructor({\n id, device_id, analysis_type, title, experiments\n }) {\n const analysis = {\n id: id,\n deviceId: device_id,\n experiments: experiments.map((e) => new AnalysesExperiment(e)),\n type: 'deviceAnalysis',\n analysisType: analysis_type,\n title,\n }\n super(analysis)\n }\n\n static buildEmpty(deviceId, analysisType) {\n return new DeviceAnalysis({\n device_id: deviceId,\n experiments: [],\n type: 'deviceAnalysis',\n analysis_type: analysisType,\n title: `${deviceId}: NMR`,\n })\n }\n \n serialize() {\n const serialized = super.serialize({\n device_id: this.deviceId,\n experiments: this.experiments.map((e) => e.serialize()),\n analysis_type: this.analysisType,\n title: this.title,\n })\n return serialized \n }\n}\n","import Element from './Element';\nimport uuid from 'uuid';\n\nexport default class DeviceSample extends Element{\n constructor({id, device_id, sample_id, types, short_label}) {\n const deviceSample= {\n id,\n deviceId: device_id,\n sampleId: sample_id,\n types,\n shortLabel: short_label,\n }\n super(deviceSample)\n }\n \n static buildEmpty(deviceId, sample) {\n return new DeviceSample({\n id: uuid.v1(),\n device_id: deviceId,\n sample_id: sample.id,\n short_label: sample.short_label,\n types: [],\n })\n }\n \n serialize() {\n const serialized = super.serialize({ \n id: this.id,\n device_id: this.deviceId,\n sample_id: this.sampleId,\n types: this.types,\n })\n return serialized\n }\n}\n","import uuid from 'uuid';\nimport sha256 from 'sha256';\nimport _ from 'lodash';\n\nexport default class Element {\n\n constructor(args) {\n Object.assign(this, args);\n if(!this.id) {\n this.id = Element.buildID();\n this.is_new = true\n }\n this.updateChecksum();\n }\n\n isMethodDisabled(m) {\n return this[m] == '***'\n }\n\n static buildID() {\n return uuid.v1();\n }\n\n get isEdited() {\n return this._checksum != this.checksum();\n }\n\n checksum(fieldsToOmit = []) {\n const tThis = this;\n if (tThis.type === 'screen' && tThis.research_plans !== undefined) {\n tThis.rp_ids = _.map(tThis.research_plans, rp => ({ id: rp.id }));\n }\n return sha256(JSON.stringify(_.omit(_.omit(\n tThis,\n ['_checksum', 'belongTo', 'matGroup', 'molecule_names', 'equivalent', '_equivalent', 'formulaChanged', 'research_plans', ...fieldsToOmit],\n ), _.isEmpty)));\n }\n\n get getChecksum() {\n return this._checksum\n }\n\n get isNew() {\n return this.is_new == true\n }\n\n get isPendingToSave() {\n return !_.isEmpty(this) && (this.isNew || this.isEdited);\n }\n\n updateChecksum(cs) {\n if (cs) {\n this._checksum = cs\n } else {\n this._checksum = this.checksum();\n }\n }\n\n buildCopy() {\n return new this.constructor(_.omit(this, 'id'))\n }\n\n clone() {\n return new this.constructor(this);\n }\n\n // methods regarding sharing and detail levels\n isRestricted() {\n return this.is_restricted;\n }\n\n title() {\n return this.name;\n }\n\n // base serializer\n serialize(extraParams = {}) {\n let params = {\n id: this.id,\n type: this.type,\n is_new: this.isNew || false,\n collection_id: this.collection_id\n }\n _.merge(params, extraParams);\n let paramsWithoutNullEntries = _.omit(params, _.isNull);\n let cleanParams = _.omit(paramsWithoutNullEntries, (x) => { return x == '***'})\n return cleanParams;\n }\n\n // Default empty quill-delta\n static quillDefault() {\n return { ops: [{ insert: '\\n' }] };\n }\n}\n","import { isEmpty, filter } from 'lodash';\nimport Element from './Element';\nimport Container from './Container';\nimport UserStore from '../stores/UserStore';\nimport Segment from './Segment';\n\nexport default class GenericEl extends Element {\n\n // eslint-disable-next-line camelcase\n static buildEmpty(collection_id, klass) {\n const template = (klass && klass.properties_release) || {};\n return new GenericEl({\n collection_id,\n type: klass.name,\n element_klass_id: this.element_klass_id || (klass && klass.id),\n short_label: GenericEl.buildNewShortLabel(klass),\n name: `New ${klass.label}`,\n container: Container.init(),\n properties: template,\n element_klass: klass,\n can_copy: false,\n properties_release: [],\n attachments: [],\n files: [],\n segments: []\n });\n }\n\n serialize() {\n return super.serialize({\n name: this.name,\n can_copy: true,\n klassType: 'GenericEl',\n element_klass: this.element_klass,\n element_klass_id: this._element_klass_id,\n properties: this.properties,\n container: this.container,\n attachments: this.attachments,\n files: this.files,\n segments: this.segments.map(s => s.serialize())\n });\n }\n\n static buildNewShortLabel(klass) {\n const { currentUser } = UserStore.getState();\n if (!currentUser) { return `new_${klass.label}`; }\n return `${currentUser.initials}-${klass.klass_prefix}${parseInt(currentUser.counters[klass.name] || 0, 10) + 1}`;\n }\n\n\n buildCopy(params = {}) {\n const copy = super.buildCopy();\n Object.assign(copy, params);\n copy.short_label = GenericEl.buildNewShortLabel(copy.element_klass);\n copy.can_update = true;\n copy.can_copy = false;\n return copy;\n }\n\n static copyFromCollectionId(element, collection_id) {\n const params = {\n collection_id,\n role: 'parts',\n timestamp_start: '',\n timestamp_stop: '',\n rf_value: 0.00,\n status: '',\n }\n const copy = element.buildCopy(params);\n copy.origin = { id: element.id, short_label: element.short_label };\n //copy.name = copy.nameFromRole(copy.role);\n return copy;\n }\n\n get klassType() {\n return 'GenericEl'\n }\n\n get name() {\n return this._name;\n }\n\n set name(name) {\n this._name = name;\n }\n\n get label() {\n return (this.element_klass && this.element_klass.label) || '';\n }\n\n get desc() {\n return (this.element_klass && this.element_klass.desc) || '';\n }\n\n get element_klass() {\n return this._element_klass;\n }\n\n set element_klass(klass) {\n this._element_klass = klass;\n }\n\n get klassName() {\n return this._klass_name;\n }\n set klassName(klassName) {\n this._klass_name = klassName;\n }\n\n\n get properties() {\n return this._properties;\n }\n\n set properties(properties) {\n this._properties = properties;\n }\n\n get element_klass_id() {\n return this._element_klass_id;\n }\n\n set element_klass_id(element_klass_id) {\n this._element_klass_id = element_klass_id;\n }\n\n set segments(segments) {\n this._segments = (segments && segments.map(s => new Segment(s))) || [];\n }\n\n get segments() {\n return this._segments || [];\n }\n\n title() {\n return `${this.short_label} ${this.name}` ;\n }\n\n get isPendingToSave() {\n return !isEmpty(this) && (this.isNew || this.changed);\n }\n\n isValidated() {\n const validName = !!(this.name && this.name.trim() !== '');\n const layers = filter(this.properties && this.properties.layers, l => l.parent == null || l.parent.trim().length === 0) || [];\n\n // required fileds, draggable only\n const fieldsDrag = layers.flatMap(l => l.fields).filter(f => f.required && f.type.includes('drag_'));\n const vaildFieldsDrag = fieldsDrag.length === fieldsDrag.filter(f => f.value && f.value.el_id).length;\n\n // required fileds, excludes draggable\n const fields = layers.flatMap(l => l.fields).filter(f => f.required && !f.type.includes('drag_'));\n const vaildFields = fields.length === fields.filter(f => f.value && f.value.trim() !== '').length;\n\n return validName && vaildFieldsDrag && vaildFields;\n }\n}\n","import uuid from 'uuid';\n\nexport default class GenericSubField {\n constructor(args) {\n Object.assign(this, args);\n if (!this.id) { this.id = GenericSubField.buildID(); }\n }\n\n static buildID() { return uuid.v1(); }\n}\n","import { CitationType } from '../CitationType';\nimport Element from './Element';\n\nexport default class Literature extends Element {\n static buildEmpty() {\n return new Literature({\n title: '',\n url: '',\n doi: '',\n isbn: '',\n litype: CitationType[0],\n type: 'literature',\n is_new: false,\n refs: {}\n });\n }\n\n serialize() {\n return ({\n id: this.id,\n title: this.title,\n url: this.url,\n doi: this.doi,\n isbn: this.isbn,\n litype: this.litype,\n type: this.type,\n is_new: this.isNew || false,\n refs: this.refs || {}\n });\n }\n}\n","import uuid from 'uuid';\nimport sha256 from 'sha256';\nimport _ from 'lodash';\nimport Immutable from 'immutable';\n\nexport default class LiteratureMap {\n\n constructor(args) {\n Object.assign(this, args);\n if(!this.id) {\n this.id = LiteratureMap.buildID();\n this.is_new = true\n this.type = 'literature_map'\n }\n this.updateChecksum();\n }\n\n static buildEmpty() {\n return new LiteratureMap({\n collectionRefs: Immutable.List(),\n sampleRefs: Immutable.List(),\n reactionRefs: Immutable.List(),\n researchPlanRefs: Immutable.List(),\n selectedRefs: Immutable.List(),\n collection_id: null,\n is_sync: false\n });\n }\n\n static buildID() {\n return uuid.v1();\n }\n\n get isEdited() {\n return this._checksum != this.checksum();\n }\n\n checksum(fieldsToOmit = []) {\n return sha256(JSON.stringify(_.omit(_.omit(this,\n ['_checksum', ...fieldsToOmit],\n ), _.isEmpty)));\n }\n\n get getChecksum() {\n return this._checksum\n }\n\n get isNew() {\n return this.is_new === true\n }\n\n get isPendingToSave() {\n return !_.isEmpty(this) && (this.isNew || this.isEdited);\n }\n\n title() {\n return 'Literature';\n }\n\n updateChecksum(cs) {\n if (cs) {\n this._checksum = cs\n } else {\n this._checksum = this.checksum();\n }\n }\n\n buildCopy() {\n return new this.constructor(_.omit(this, 'id'))\n }\n\n clone() {\n return new this.constructor(this);\n }\n\n // methods regarding sharing and detail levels\n isRestricted() {\n return this.is_restricted;\n }\n\n // base serializer\n serialize(extraParams = {}) {\n const params = {\n id: this.id,\n type: this.type,\n is_new: this.isNew || false,\n collection_id: this.collection_id\n };\n _.merge(params, extraParams);\n const paramsWithoutNullEntries = _.omit(params, _.isNull);\n const cleanParams = _.omit(paramsWithoutNullEntries, x => (x === '***'));\n return cleanParams;\n }\n\n // Default empty quill-delta\n static quillDefault() {\n return { \"ops\": [{ \"insert\": \"\" }] }\n }\n}\n","import Element from './Element';\n\nexport default class Molecule extends Element {\n get svgPath() {\n return this.molecule_svg_file && `/images/molecules/${this.molecule_svg_file}`\n }\n\n serialize() {\n return ({\n density: this.density,\n melting_point: this.melting_point,\n boiling_point: this.boiling_point,\n inchistring: this.inchistring,\n cano_smiles: this.cano_smiles,\n inchikey: this.inchikey,\n })\n }\n}\n","/* eslint-disable no-underscore-dangle, camelcase, semi, no-unused-vars */\nimport Element from './Element';\n\nexport default class PrivateNote extends Element {\n static buildEmpty() {\n return new PrivateNote({\n content: '',\n noteable_id: null,\n noteable_type: null,\n created_by: null,\n created_at: null,\n });\n }\n\n static buildWithElement(element) {\n\n }\n\n get content() {\n return this._content;\n }\n\n set content(content) {\n this._content = content;\n }\n\n get noteable_id() {\n return this._noteable_id;\n }\n\n set noteable_id(noteable_id) {\n this._noteable_id = noteable_id;\n }\n\n get created_by() {\n return this._created_by;\n }\n set created_by(created_by) {\n this._created_by = created_by;\n }\n\n get noteable_type() {\n return this._noteable_type;\n }\n\n set noteable_type(noteable_type) {\n this._noteable_type = noteable_type;\n }\n\n serialize() {\n return super.serialize({\n content: this.content,\n noteable_id: this.noteable_id,\n noteable_type: this.noteable_type,\n created_by: this.created_by\n })\n }\n}\n","import {\n isEmpty,\n round,\n} from 'lodash';\nimport Delta from 'quill-delta';\nimport moment from 'moment';\nimport 'moment-precise-range-plugin';\n\nimport Element from './Element';\nimport Sample from './Sample';\nimport Container from './Container';\n\nimport UserStore from '../stores/UserStore';\nimport Segment from './Segment';\n\nconst TemperatureUnit = ['°C', '°F', 'K'];\n\nconst MomentUnit = {\n 'Week(s)': 'weeks',\n 'Day(s)': 'days',\n 'Hour(s)': 'hours',\n 'Minute(s)': 'minutes',\n 'Second(s)': 'seconds',\n};\n\nconst LegMomentUnit = {\n 'Year(s)': 'years',\n 'Month(s)': 'months',\n ...MomentUnit\n};\n\nconst DurationUnit = [\n // 'Year(s)',\n // 'Month(s)',\n 'Week(s)',\n 'Day(s)',\n 'Hour(s)',\n 'Minute(s)',\n 'Second(s)'\n];\n\nconst DurationDefault = {\n dispUnit: 'Hour(s)',\n dispValue: '',\n memValue: null,\n memUnit: 'Hour(s)'\n};\n\nconst convertDuration = (value, unit, newUnit) => {\n const d = moment.duration(Number.parseFloat(value), LegMomentUnit[unit])\n .as(MomentUnit[newUnit]);\n return round(d, 1).toString();\n};\n\nconst durationDiff = (startAt, stopAt, precise = false) => {\n if (startAt && stopAt) {\n const start = moment(startAt, 'DD-MM-YYYY HH:mm:ss');\n const stop = moment(stopAt, 'DD-MM-YYYY HH:mm:ss');\n if (start < stop) {\n return precise ? moment.preciseDiff(start, stop) : moment.duration(stop.diff(start));\n }\n }\n return null;\n};\n\nconst highestUnitFromDuration = (d, threshold = 1.0) => {\n if (d.asWeeks() >= threshold) { return 'Week(s)'; }\n if (d.asDays() >= threshold) { return 'Day(s)'; }\n if (d.asHours() >= threshold) { return 'Hour(s)'; }\n if (d.asMinutes() >= threshold) { return 'Minute(s)'; }\n if (d.asSeconds() >= threshold) { return 'Second(s)'; }\n return 'Hour(s)';\n};\n\nexport default class Reaction extends Element {\n static buildEmpty(collection_id) {\n const temperatureDefault = {\n 'valueUnit': '°C',\n 'userText': '',\n 'data': []\n }\n\n const reaction = new Reaction({\n collection_id,\n container: Container.init(),\n dangerous_products: '',\n conditions: '',\n description: Reaction.quillDefault(),\n duration: '',\n durationDisplay: DurationDefault,\n literatures: {},\n name: '',\n observation: Reaction.quillDefault(),\n products: [],\n purification: '',\n purification_solvents: [],\n reactants: [],\n rf_value: 0.00,\n role: '',\n solvent: '',\n solvents: [],\n status: '',\n starting_materials: [],\n temperature: temperatureDefault,\n timestamp_start: '',\n timestamp_stop: '',\n tlc_description: '',\n tlc_solvents: '',\n type: 'reaction',\n can_update: true,\n can_copy: false\n })\n\n reaction.short_label = this.buildReactionShortLabel()\n reaction.rxno = '';\n return reaction\n }\n\n static buildReactionShortLabel() {\n const { currentUser } = UserStore.getState();\n if (!currentUser) { return 'New Reaction'; }\n\n const number = currentUser.reactions_count + 1;\n const prefix = currentUser.reaction_name_prefix;\n return `${currentUser.initials}-${prefix}${number}`;\n }\n\n static get temperature_unit() {\n return TemperatureUnit;\n }\n\n get name() {\n return this._name;\n }\n\n set name(name) {\n this._name = name;\n }\n\n serialize() {\n return super.serialize({\n collection_id: this.collection_id,\n container: this.container,\n description: this.description,\n dangerous_products: this.dangerous_products,\n conditions: this.conditions,\n duration: this.duration,\n durationDisplay: this.durationDisplay,\n durationCalc: this.durationCalc(),\n id: this.id,\n literatures: this.literatures,\n materials: {\n starting_materials: this.starting_materials.map(s => s.serializeMaterial()),\n reactants: this.reactants.map(s => s.serializeMaterial()),\n solvents: this.solvents.map(s => s.serializeMaterial()),\n purification_solvents: this.purification_solvents.map(s => s.serializeMaterial()),\n products: this.products.map(s => s.serializeMaterial())\n },\n name: this.name,\n observation: this.observation,\n origin: this.origin,\n purification: this.purification,\n tlc_solvents: this.tlc_solvents,\n tlc_description: this.tlc_description,\n reaction_svg_file: this.reaction_svg_file,\n role: this.role,\n rf_value: this.rf_value,\n rxno: this.rxno,\n short_label: this.short_label,\n solvent: this.solvent,\n status: this.status,\n temperature: this.temperature,\n timestamp_start: this.timestamp_start,\n timestamp_stop: this.timestamp_stop,\n segments: this.segments.map(s => s.serialize())\n });\n }\n\n // Reaction Duration\n\n durationCalc() {\n return durationDiff(this.timestamp_start, this.timestamp_stop, true);\n }\n\n get durationDisplay() {\n return this._durationDisplay;\n }\n\n set durationDisplay(newDuration) {\n const { fromStartStop, nextUnit, nextValue } = newDuration;\n const {\n dispUnit, memUnit, memValue\n } = this._durationDisplay || {};\n\n if (fromStartStop) {\n const d = durationDiff(this.timestamp_start, this.timestamp_stop);\n if (d) {\n const dUnit = highestUnitFromDuration(d);\n const val = d.as(MomentUnit[dUnit]);\n const dispValue = round(val, 1).toString();\n this._durationDisplay = {\n dispUnit: dUnit,\n dispValue,\n memUnit: dUnit,\n memValue: val.toString(),\n };\n this._duration = `${dispValue} ${dUnit}`;\n }\n } else if (nextValue || nextValue === '') {\n this._durationDisplay = {\n dispValue: nextValue,\n dispUnit,\n memUnit,\n memValue: nextValue\n };\n this._duration = `${nextValue} ${dispUnit}`;\n } else if (nextUnit) {\n const index = DurationUnit.indexOf(this._durationDisplay.dispUnit);\n const u = DurationUnit[(index + 1) % DurationUnit.length];\n const dispValue = convertDuration(memValue, memUnit, u);\n this._durationDisplay = {\n dispUnit: u,\n dispValue,\n memUnit,\n memValue\n };\n this._duration = `${dispValue} ${u}`;\n }\n }\n\n get duration() {\n return this._duration;\n }\n\n set duration(duration) {\n this._duration = duration;\n }\n\n get durationUnit() {\n return this._durationDisplay.dispUnit;\n }\n\n convertDurationDisplay() {\n const duration = this._duration;\n if (this._durationDisplay && this._durationDisplay.memValue !== '') { return null; }\n const m = duration && duration.match(/(\\d+\\.?(\\d+)?)\\s+([\\w()]+)/)\n if (m) {\n this._durationDisplay = {\n dispUnit: m[3],\n memUnit: m[3],\n dispValue: m[1],\n memValue: m[1],\n ...this._durationDisplay\n };\n return null;\n }\n this._durationDisplay = { ...DurationDefault };\n return null;\n }\n\n // Reaction Temperature\n\n get temperature_display() {\n const userText = this._temperature.userText;\n if (userText !== '') { return userText; }\n\n if (this._temperature.data.length === 0) { return ''; }\n\n const arrayData = this._temperature.data;\n const maxTemp = Math.max(...arrayData.map(o => o.value));\n const minTemp = Math.min(...arrayData.map(o => o.value));\n\n if (minTemp === maxTemp) { return minTemp; }\n return `${minTemp} ~ ${maxTemp}`;\n }\n\n\n get temperature() {\n return this._temperature\n }\n\n set temperature(temperature) {\n this._temperature = temperature\n }\n\n get description_contents() {\n return this.description.ops.map(s => s.insert).join()\n }\n\n get observation_contents() {\n return this.observation.ops.map(s => s.insert).join()\n }\n\n concat_text_observation(content) {\n const insertDelta = new Delta().insert(content);\n const observationDelta = new Delta(this.observation);\n const composedDelta = observationDelta.concat(insertDelta);\n this.observation = composedDelta;\n }\n\n convertTemperature(newUnit) {\n let temperature = this._temperature\n let oldUnit = temperature.valueUnit\n temperature.valueUnit = newUnit\n\n let convertFunc\n switch (oldUnit) {\n case \"K\":\n convertFunc = this.convertFromKelvin\n break\n case \"°F\":\n convertFunc = this.convertFromFarenheit\n break\n default:\n convertFunc = this.convertFromCelcius\n break\n }\n\n // If userText is number only, treat as normal temperature value\n if (/^[\\-|\\d]\\d*\\.{0,1}\\d{0,2}$/.test(temperature.userText)) {\n temperature.userText =\n convertFunc(newUnit, temperature.userText).toFixed(2)\n\n return temperature\n }\n\n temperature.data.forEach(function(data, index, theArray) {\n theArray[index].value = convertFunc(newUnit, data.value).toFixed(2)\n })\n\n return temperature\n }\n\n convertFromKelvin(unit, temperature) {\n if (unit == \"°C\") {\n return (parseFloat(temperature) - 273.15)\n } else { // Farenheit\n return ((parseFloat(temperature) * 9 / 5) - 459.67)\n }\n }\n\n convertFromFarenheit(unit, temperature) {\n if (unit == \"°C\") {\n return ((parseFloat(temperature) - 32) / 1.8)\n } else { // Kelvin\n return ((parseFloat(temperature) + 459.67) * 5 / 9)\n }\n }\n\n convertFromCelcius(unit, temperature) {\n if (unit == \"°F\") {\n return ((parseFloat(temperature) * 1.8) + 32)\n } else { // Kelvin\n return (parseFloat(temperature) + 273.15)\n }\n }\n\n get short_label() {\n return this._short_label\n }\n\n set short_label(short_label) {\n this._short_label = short_label\n }\n\n get tlc_solvents() {\n return this._tlc_solvents\n }\n\n set tlc_solvents(solvents) {\n this._tlc_solvents = solvents\n }\n\n get starting_materials() {\n return this._starting_materials\n }\n\n set starting_materials(samples) {\n this._starting_materials = this._coerceToSamples(samples);\n }\n\n get solvents() {\n return this._solvents\n }\n\n set solvents(samples) {\n this._solvents = this._coerceToSamples(samples);\n }\n\n get purification_solvents() {\n return this._purification_solvents;\n }\n\n set purification_solvents(samples) {\n this._purification_solvents = this._coerceToSamples(samples);\n }\n\n get reactants() {\n return this._reactants\n }\n\n set reactants(samples) {\n this._reactants = this._coerceToSamples(samples);\n }\n\n get products() {\n return this._products\n }\n\n set products(samples) {\n this._products = this._coerceToSamples(samples);\n }\n\n get samples() {\n return [\n ...this.starting_materials || [],\n ...this.reactants || [],\n ...this.solvents || [],\n ...this.purification_solvents || [],\n ...this.products || [],\n ];\n }\n\n buildCopy(params = {}) {\n const copy = super.buildCopy();\n Object.assign(copy, params);\n copy.short_label = Reaction.buildReactionShortLabel();\n copy.starting_materials = this.starting_materials.map(\n sample => Sample.copyFromSampleAndCollectionId(sample, copy.collection_id)\n );\n copy.reactants = this.reactants.map(\n sample => Sample.copyFromSampleAndCollectionId(sample, copy.collection_id)\n );\n copy.solvents = this.solvents.map(\n sample => Sample.copyFromSampleAndCollectionId(sample, copy.collection_id)\n );\n copy.products = this.products.map(\n sample => Sample.copyFromSampleAndCollectionId(sample, copy.collection_id, true, true, false)\n );\n\n copy.rebuildProductName();\n copy.container = Container.init();\n copy.can_update = true;\n copy.can_copy = false;\n return copy;\n }\n\n static copyFromReactionAndCollectionId(reaction, collection_id) {\n const params = {\n collection_id,\n role: 'parts',\n timestamp_start: '',\n timestamp_stop: '',\n rf_value: 0.00,\n status: '',\n }\n const copy = reaction.buildCopy(params);\n copy.origin = { id: reaction.id, short_label: reaction.short_label };\n copy.name = copy.nameFromRole(copy.role);\n return copy;\n }\n\n title() {\n const short_label = this.short_label ? this.short_label : ''\n return this.name ? `${short_label} ${this.name}` : short_label\n }\n\n addMaterial(material, group) {\n const materials = this[group];\n const newMaterial = this.materialPolicy(material, null, group);\n this[group] = [...materials, newMaterial];\n\n this.rebuildReference(newMaterial);\n this.setPositions(group);\n }\n\n addMaterialAt(srcMaterial, srcGp, tagMaterial, tagGp) {\n const materials = this[tagGp];\n const idx = materials.indexOf(tagMaterial);\n const newSrcMaterial = this.materialPolicy(srcMaterial, srcGp, tagGp);\n\n if (idx === -1) {\n this[tagGp] = [...materials, newSrcMaterial];\n } else {\n this[tagGp] = [\n ...materials.slice(0, idx),\n newSrcMaterial,\n ...materials.slice(idx),\n ];\n }\n\n this.rebuildReference(newSrcMaterial);\n this.setPositions(tagGp);\n }\n\n deleteMaterial(material, group) {\n const materials = this[group];\n const idx = materials.indexOf(material);\n this[group] = [\n ...materials.slice(0, idx),\n ...materials.slice(idx + 1),\n ];\n\n this.rebuildReference(material);\n this.setPositions(group);\n }\n\n swapMaterial(srcMaterial, tagMaterial, group) {\n const srcIdx = this[group].indexOf(srcMaterial);\n const tagIdx = this[group].indexOf(tagMaterial);\n const groupWoSrc = [\n ...this[group].slice(0, srcIdx),\n ...this[group].slice(srcIdx + 1),\n ];\n const newGroup = [\n ...groupWoSrc.slice(0, tagIdx),\n srcMaterial,\n ...groupWoSrc.slice(tagIdx),\n ];\n this[group] = newGroup.filter(o => o != null) || [];\n\n this.rebuildReference(srcMaterial);\n this.setPositions(group);\n }\n\n moveMaterial(srcMaterial, srcGp, tagMaterial, tagGp) {\n if (srcGp === tagGp) {\n this.swapMaterial(srcMaterial, tagMaterial, tagGp);\n } else {\n this.deleteMaterial(srcMaterial, srcGp);\n this.addMaterialAt(srcMaterial, srcGp, tagMaterial, tagGp);\n }\n }\n\n setPositions(group) {\n this[group] = this[group].map((m, idx) => (\n Object.assign({}, m, { position: idx })\n ));\n }\n\n // We will process all reaction policy here\n // If oldGroup = null -> drag new Sample into Reaction\n // Else -> moving between Material Group\n materialPolicy(material, oldGroup, newGroup) {\n if (newGroup == \"products\") {\n material.amountType = 'real';\n\n // we don't want to copy loading from sample\n if(material.contains_residues) {\n material.loading = 0.0;\n }\n\n material.isSplit = false;\n material.reaction_product = true;\n material.equivalent = 0;\n material.reference = false;\n\n if (material.parent_id) {\n material.start_parent = material.parent_id\n material.parent_id = null\n }\n } else if (\n newGroup === \"reactants\" || newGroup === \"solvents\" ||\n newGroup === \"purification_solvents\"\n ) {\n if (newGroup === \"solvents\") {\n material.reference = false;\n }\n\n // Temporary set true, to fit with server side logical\n material.isSplit = true;\n material.reaction_product = false;\n } else if (newGroup == \"starting_materials\") {\n material.isSplit = true;\n material.reaction_product = false;\n\n if (material.start_parent && material.parent_id == null) {\n material.parent_id = material.start_parent\n }\n }\n\n this.shortLabelPolicy(material, oldGroup, newGroup);\n this.namePolicy(material, oldGroup, newGroup);\n \n if (!material.coefficient || material.coefficient < 0) {\n material.coefficient = 1.0;\n }\n material.waste = false;\n\n return material;\n }\n\n shortLabelPolicy(material, oldGroup, newGroup) {\n if (oldGroup) {\n // Save previous short_label\n material[`short_label_${oldGroup}`] = material.short_label;\n\n // Reassign previous short_label if present\n if (material[`short_label_${newGroup}`]) {\n material.short_label = material[`short_label_${newGroup}`];\n return 0;\n }\n // routines below are for exisiting samples moved a first time\n if (newGroup === 'products') {\n // products are new samples => build new short_label\n material.short_label = Sample.buildNewShortLabel();\n } else if (newGroup === 'starting_materials') {\n if (oldGroup !== 'products') {\n // if starting_materials from products, reuse product short_label (do nothing)\n material.short_label = Sample.buildNewShortLabel();\n }\n }\n // else when newGroup is reactant/solvent do nothing because not displayed (short_label set in BE)\n } else {\n if (newGroup === \"starting_materials\") {\n if (material.split_label) { material.short_label = material.split_label; }\n } else if (newGroup === \"products\") {\n // products are new samples => build new short_label\n material.short_label = Sample.buildNewShortLabel();\n } else {\n material.short_label = newGroup.slice(0, -1); // \"reactant\" or \"solvent\"\n }\n }\n }\n\n namePolicy(material, oldGroup, newGroup) {\n this.rebuildProductName();\n\n if (oldGroup && oldGroup == \"products\"){\n // Blank name if FROM \"products\"\n material.name = \"\";\n return 0;\n }\n\n if (newGroup == \"products\") {\n let productName = String.fromCharCode('A'.charCodeAt(0) + this.products.length);\n material.name = this.short_label + \"-\" + productName;\n }\n }\n\n rebuildProductName() {\n let short_label = this.short_label\n this.products.forEach(function(product, index, arr) {\n let productName = String.fromCharCode('A'.charCodeAt(0) + index);\n arr[index].name = short_label + \"-\" + productName;\n })\n }\n\n rebuildReference(material) {\n if (this.referenceMaterial) {\n let referenceMaterial = this.referenceMaterial\n let reference = this.starting_materials.find(function(m) {\n return referenceMaterial.id === m.id;\n })\n\n // if referenceMaterial exists,\n // referenceMaterialGroup must be either 'starting_materials' or 'reactants'\n if (!reference) reference = this.reactants.find(m => m.id === referenceMaterial.id);\n\n if (!reference && this.starting_materials.length > 0) {\n this._setAsReferenceMaterial(this.starting_materials[0]);\n } else {\n this._updateEquivalentForMaterial(material);\n }\n }\n\n this.products.forEach(function(product, index, arr) {\n arr[index].reference = false;\n })\n }\n\n _coerceToSamples(samples) {\n return samples && samples.map(s => new Sample(s)) || []\n }\n\n sampleById(sampleID) {\n return this.samples.find((sample) => {\n return sample.id == sampleID;\n })\n }\n\n get referenceMaterial() {\n return this.samples.find((sample) => {\n return sample.reference;\n })\n }\n\n get sampleCount() {\n return this.samples.length;\n }\n\n markSampleAsReference(sampleID) {\n this.samples.forEach((sample) => {\n sample.reference = sample.id == sampleID;\n })\n }\n\n toggleShowLabelForSample(sampleID) {\n const sample = this.sampleById(sampleID);\n sample.show_label = ((sample.decoupled && !sample.molfile) ? true : !sample.show_label);\n }\n\n _setAsReferenceMaterial(sample) {\n sample.equivalent = 1;\n sample.reference = true;\n }\n\n _updateEquivalentForMaterial(sample) {\n if(this.referenceMaterial && this.referenceMaterial.amount_mol) {\n sample.equivalent = sample.amount_mol / this.referenceMaterial.amount_mol;\n }\n }\n\n get svgPath() {\n if(this.reaction_svg_file && this.reaction_svg_file != '***' ) {\n if(this.reaction_svg_file.includes('\n Transfering ownership applies for all sub collections.\n
\n \n \n