ketcher-standalone 2.8.0-rc.3-dev.1 → 2.8.0-rc.3-dev.2

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Files changed (5) hide show
  1. package/dist/index.js +0 -3
  2. package/dist/index.js.map +1 -1
  3. package/dist/index.modern.js +0 -3
  4. package/dist/index.modern.js.map +1 -1
  5. package/package.json +1 -1
package/dist/index.js CHANGED
@@ -739,7 +739,6 @@ var IndigoService = function () {
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  return new Promise(function (resolve, reject) {
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  var action = function action(_ref2) {
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  var data = _ref2.data;
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- console.log('info action', data);
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  var msg = data;
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  if (!msg.hasError) {
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  var result = {
@@ -769,7 +768,6 @@ var IndigoService = function () {
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  return new Promise(function (resolve, reject) {
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  var action = function action(_ref3) {
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  var data = _ref3.data;
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- console.log('convert action', data);
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  var msg = data;
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  if (!msg.hasError) {
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  var result = {
@@ -806,7 +804,6 @@ var IndigoService = function () {
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  return new Promise(function (resolve, reject) {
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  var action = function action(_ref4) {
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  var data = _ref4.data;
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- console.log('layout action', data);
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  var msg = data;
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  if (!msg.hasError) {
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  var result = {
package/dist/index.js.map CHANGED
@@ -1 +1 @@
1
- {"version":3,"file":"index.js","sources":["../src/infrastructure/services/struct/indigoWorker.types.ts","../../../node_modules/rollup-plugin-node-polyfills/polyfills/events.js","../src/infrastructure/services/struct/standaloneStructService.ts","../src/infrastructure/services/struct/standaloneStructServiceProvider.ts"],"sourcesContent":["/****************************************************************************\n * Copyright 2021 EPAM Systems\n *\n * Licensed under the Apache License, Version 2.0 (the \"License\");\n * you may not use this file except in compliance with the License.\n * You may obtain a copy of the License at\n *\n * http://www.apache.org/licenses/LICENSE-2.0\n *\n * Unless required by applicable law or agreed to in writing, software\n * distributed under the License is distributed on an \"AS IS\" BASIS,\n * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.\n * See the License for the specific language governing permissions and\n * limitations under the License.\n ***************************************************************************/\n\nexport const enum Command {\n Info,\n Convert,\n Layout,\n Clean,\n Aromatize,\n Dearomatize,\n CalculateCip,\n Automap,\n Check,\n Calculate,\n GenerateImageAsBase64,\n GenerateInchIKey\n}\n\nexport const enum WorkerEvent {\n Info = 'info',\n Convert = 'convert',\n Layout = 'layout',\n Clean = 'clean',\n Aromatize = 'aromatize',\n Dearomatize = 'dearomatize',\n CalculateCip = 'calculateCip',\n Automap = 'automap',\n Check = 'check',\n Calculate = 'calculate',\n GenerateImageAsBase64 = 'generateImageAsBase64',\n GenerateInchIKey = 'generateInchIKey'\n}\n\nexport enum SupportedFormat {\n Rxn = 'rxnfile',\n Mol = 'molfile',\n Smiles = 'smiles',\n Smarts = 'smarts',\n CML = 'cml',\n InChI = 'inchi',\n InChIAuxInfo = 'inchi-aux',\n Ket = 'ket',\n CDX = 'cdx',\n CDXML = 'cdxml'\n}\n\nexport interface WithStruct {\n struct: string\n}\n\nexport interface WithFormat {\n format: SupportedFormat\n}\n\nexport interface WithSelection {\n selectedAtoms: Array<number>\n}\n\nexport interface CommandOptions {\n [key: string]: string | number | boolean | undefined\n}\n\nexport interface CommandData {\n options?: CommandOptions\n}\n\nexport interface CheckCommandData extends CommandData, WithStruct {\n types: Array<string>\n}\n\nexport interface ConvertCommandData\n extends CommandData,\n WithStruct,\n WithFormat {}\n\nexport interface GenerateInchIKeyCommandData extends CommandData, WithStruct {}\n\nexport interface GenerateImageCommandData extends CommandData, WithStruct {\n outputFormat: 'png' | 'svg'\n backgroundColor?: string\n}\n\nexport interface LayoutCommandData\n extends CommandData,\n WithStruct,\n WithFormat {}\n\nexport interface CleanCommandData\n extends CommandData,\n WithStruct,\n WithSelection,\n WithFormat {}\n\nexport interface AromatizeCommandData\n extends CommandData,\n WithStruct,\n WithFormat {}\n\nexport interface DearomatizeCommandData\n extends CommandData,\n WithStruct,\n WithFormat {}\n\nexport interface CalculateCipCommandData\n extends CommandData,\n WithStruct,\n WithFormat {}\n\nexport type CalculateProps =\n | 'molecular-weight'\n | 'most-abundant-mass'\n | 'monoisotopic-mass'\n | 'gross'\n | 'gross-formula'\n | 'mass-composition'\n\nexport interface CalculateCommandData\n extends CommandData,\n WithStruct,\n WithSelection {\n properties: Array<string>\n}\n\nexport interface AutomapCommandData\n extends CommandData,\n WithStruct,\n WithFormat {\n mode: string\n}\n\nexport interface OutputMessage<T> {\n type?: Command\n hasError?: boolean\n payload?: T\n error?: string\n}\nexport interface InputMessage<T> {\n type: Command\n data: T\n}\n","'use strict';\n\nvar domain;\n\n// This constructor is used to store event handlers. Instantiating this is\n// faster than explicitly calling `Object.create(null)` to get a \"clean\" empty\n// object (tested with v8 v4.9).\nfunction EventHandlers() {}\nEventHandlers.prototype = Object.create(null);\n\nfunction EventEmitter() {\n EventEmitter.init.call(this);\n}\nexport default EventEmitter;\nexport {EventEmitter};\n\n// nodejs oddity\n// require('events') === require('events').EventEmitter\nEventEmitter.EventEmitter = EventEmitter\n\nEventEmitter.usingDomains = false;\n\nEventEmitter.prototype.domain = undefined;\nEventEmitter.prototype._events = undefined;\nEventEmitter.prototype._maxListeners = undefined;\n\n// By default EventEmitters will print a warning if more than 10 listeners are\n// added to it. This is a useful default which helps finding memory leaks.\nEventEmitter.defaultMaxListeners = 10;\n\nEventEmitter.init = function() {\n this.domain = null;\n if (EventEmitter.usingDomains) {\n // if there is an active domain, then attach to it.\n if (domain.active && !(this instanceof domain.Domain)) {\n this.domain = domain.active;\n }\n }\n\n if (!this._events || this._events === Object.getPrototypeOf(this)._events) {\n this._events = new EventHandlers();\n this._eventsCount = 0;\n }\n\n this._maxListeners = this._maxListeners || undefined;\n};\n\n// Obviously not all Emitters should be limited to 10. This function allows\n// that to be increased. Set to zero for unlimited.\nEventEmitter.prototype.setMaxListeners = function setMaxListeners(n) {\n if (typeof n !== 'number' || n < 0 || isNaN(n))\n throw new TypeError('\"n\" argument must be a positive number');\n this._maxListeners = n;\n return this;\n};\n\nfunction $getMaxListeners(that) {\n if (that._maxListeners === undefined)\n return EventEmitter.defaultMaxListeners;\n return that._maxListeners;\n}\n\nEventEmitter.prototype.getMaxListeners = function getMaxListeners() {\n return $getMaxListeners(this);\n};\n\n// These standalone emit* functions are used to optimize calling of event\n// handlers for fast cases because emit() itself often has a variable number of\n// arguments and can be deoptimized because of that. These functions always have\n// the same number of arguments and thus do not get deoptimized, so the code\n// inside them can execute faster.\nfunction emitNone(handler, isFn, self) {\n if (isFn)\n handler.call(self);\n else {\n var len = handler.length;\n var listeners = arrayClone(handler, len);\n for (var i = 0; i < len; ++i)\n listeners[i].call(self);\n }\n}\nfunction emitOne(handler, isFn, self, arg1) {\n if (isFn)\n handler.call(self, arg1);\n else {\n var len = handler.length;\n var listeners = arrayClone(handler, len);\n for (var i = 0; i < len; ++i)\n listeners[i].call(self, arg1);\n }\n}\nfunction emitTwo(handler, isFn, self, arg1, arg2) {\n if (isFn)\n handler.call(self, arg1, arg2);\n else {\n var len = handler.length;\n var listeners = arrayClone(handler, len);\n for (var i = 0; i < len; ++i)\n listeners[i].call(self, arg1, arg2);\n }\n}\nfunction emitThree(handler, isFn, self, arg1, arg2, arg3) {\n if (isFn)\n handler.call(self, arg1, arg2, arg3);\n else {\n var len = handler.length;\n var listeners = arrayClone(handler, len);\n for (var i = 0; i < len; ++i)\n listeners[i].call(self, arg1, arg2, arg3);\n }\n}\n\nfunction emitMany(handler, isFn, self, args) {\n if (isFn)\n handler.apply(self, args);\n else {\n var len = handler.length;\n var listeners = arrayClone(handler, len);\n for (var i = 0; i < len; ++i)\n listeners[i].apply(self, args);\n }\n}\n\nEventEmitter.prototype.emit = function emit(type) {\n var er, handler, len, args, i, events, domain;\n var needDomainExit = false;\n var doError = (type === 'error');\n\n events = this._events;\n if (events)\n doError = (doError && events.error == null);\n else if (!doError)\n return false;\n\n domain = this.domain;\n\n // If there is no 'error' event listener then throw.\n if (doError) {\n er = arguments[1];\n if (domain) {\n if (!er)\n er = new Error('Uncaught, unspecified \"error\" event');\n er.domainEmitter = this;\n er.domain = domain;\n er.domainThrown = false;\n domain.emit('error', er);\n } else if (er instanceof Error) {\n throw er; // Unhandled 'error' event\n } else {\n // At least give some kind of context to the user\n var err = new Error('Uncaught, unspecified \"error\" event. (' + er + ')');\n err.context = er;\n throw err;\n }\n return false;\n }\n\n handler = events[type];\n\n if (!handler)\n return false;\n\n var isFn = typeof handler === 'function';\n len = arguments.length;\n switch (len) {\n // fast cases\n case 1:\n emitNone(handler, isFn, this);\n break;\n case 2:\n emitOne(handler, isFn, this, arguments[1]);\n break;\n case 3:\n emitTwo(handler, isFn, this, arguments[1], arguments[2]);\n break;\n case 4:\n emitThree(handler, isFn, this, arguments[1], arguments[2], arguments[3]);\n break;\n // slower\n default:\n args = new Array(len - 1);\n for (i = 1; i < len; i++)\n args[i - 1] = arguments[i];\n emitMany(handler, isFn, this, args);\n }\n\n if (needDomainExit)\n domain.exit();\n\n return true;\n};\n\nfunction _addListener(target, type, listener, prepend) {\n var m;\n var events;\n var existing;\n\n if (typeof listener !== 'function')\n throw new TypeError('\"listener\" argument must be a function');\n\n events = target._events;\n if (!events) {\n events = target._events = new EventHandlers();\n target._eventsCount = 0;\n } else {\n // To avoid recursion in the case that type === \"newListener\"! Before\n // adding it to the listeners, first emit \"newListener\".\n if (events.newListener) {\n target.emit('newListener', type,\n listener.listener ? listener.listener : listener);\n\n // Re-assign `events` because a newListener handler could have caused the\n // this._events to be assigned to a new object\n events = target._events;\n }\n existing = events[type];\n }\n\n if (!existing) {\n // Optimize the case of one listener. Don't need the extra array object.\n existing = events[type] = listener;\n ++target._eventsCount;\n } else {\n if (typeof existing === 'function') {\n // Adding the second element, need to change to array.\n existing = events[type] = prepend ? [listener, existing] :\n [existing, listener];\n } else {\n // If we've already got an array, just append.\n if (prepend) {\n existing.unshift(listener);\n } else {\n existing.push(listener);\n }\n }\n\n // Check for listener leak\n if (!existing.warned) {\n m = $getMaxListeners(target);\n if (m && m > 0 && existing.length > m) {\n existing.warned = true;\n var w = new Error('Possible EventEmitter memory leak detected. ' +\n existing.length + ' ' + type + ' listeners added. ' +\n 'Use emitter.setMaxListeners() to increase limit');\n w.name = 'MaxListenersExceededWarning';\n w.emitter = target;\n w.type = type;\n w.count = existing.length;\n emitWarning(w);\n }\n }\n }\n\n return target;\n}\nfunction emitWarning(e) {\n typeof console.warn === 'function' ? console.warn(e) : console.log(e);\n}\nEventEmitter.prototype.addListener = function addListener(type, listener) {\n return _addListener(this, type, listener, false);\n};\n\nEventEmitter.prototype.on = EventEmitter.prototype.addListener;\n\nEventEmitter.prototype.prependListener =\n function prependListener(type, listener) {\n return _addListener(this, type, listener, true);\n };\n\nfunction _onceWrap(target, type, listener) {\n var fired = false;\n function g() {\n target.removeListener(type, g);\n if (!fired) {\n fired = true;\n listener.apply(target, arguments);\n }\n }\n g.listener = listener;\n return g;\n}\n\nEventEmitter.prototype.once = function once(type, listener) {\n if (typeof listener !== 'function')\n throw new TypeError('\"listener\" argument must be a function');\n this.on(type, _onceWrap(this, type, listener));\n return this;\n};\n\nEventEmitter.prototype.prependOnceListener =\n function prependOnceListener(type, listener) {\n if (typeof listener !== 'function')\n throw new TypeError('\"listener\" argument must be a function');\n this.prependListener(type, _onceWrap(this, type, listener));\n return this;\n };\n\n// emits a 'removeListener' event iff the listener was removed\nEventEmitter.prototype.removeListener =\n function removeListener(type, listener) {\n var list, events, position, i, originalListener;\n\n if (typeof listener !== 'function')\n throw new TypeError('\"listener\" argument must be a function');\n\n events = this._events;\n if (!events)\n return this;\n\n list = events[type];\n if (!list)\n return this;\n\n if (list === listener || (list.listener && list.listener === listener)) {\n if (--this._eventsCount === 0)\n this._events = new EventHandlers();\n else {\n delete events[type];\n if (events.removeListener)\n this.emit('removeListener', type, list.listener || listener);\n }\n } else if (typeof list !== 'function') {\n position = -1;\n\n for (i = list.length; i-- > 0;) {\n if (list[i] === listener ||\n (list[i].listener && list[i].listener === listener)) {\n originalListener = list[i].listener;\n position = i;\n break;\n }\n }\n\n if (position < 0)\n return this;\n\n if (list.length === 1) {\n list[0] = undefined;\n if (--this._eventsCount === 0) {\n this._events = new EventHandlers();\n return this;\n } else {\n delete events[type];\n }\n } else {\n spliceOne(list, position);\n }\n\n if (events.removeListener)\n this.emit('removeListener', type, originalListener || listener);\n }\n\n return this;\n };\n\nEventEmitter.prototype.removeAllListeners =\n function removeAllListeners(type) {\n var listeners, events;\n\n events = this._events;\n if (!events)\n return this;\n\n // not listening for removeListener, no need to emit\n if (!events.removeListener) {\n if (arguments.length === 0) {\n this._events = new EventHandlers();\n this._eventsCount = 0;\n } else if (events[type]) {\n if (--this._eventsCount === 0)\n this._events = new EventHandlers();\n else\n delete events[type];\n }\n return this;\n }\n\n // emit removeListener for all listeners on all events\n if (arguments.length === 0) {\n var keys = Object.keys(events);\n for (var i = 0, key; i < keys.length; ++i) {\n key = keys[i];\n if (key === 'removeListener') continue;\n this.removeAllListeners(key);\n }\n this.removeAllListeners('removeListener');\n this._events = new EventHandlers();\n this._eventsCount = 0;\n return this;\n }\n\n listeners = events[type];\n\n if (typeof listeners === 'function') {\n this.removeListener(type, listeners);\n } else if (listeners) {\n // LIFO order\n do {\n this.removeListener(type, listeners[listeners.length - 1]);\n } while (listeners[0]);\n }\n\n return this;\n };\n\nEventEmitter.prototype.listeners = function listeners(type) {\n var evlistener;\n var ret;\n var events = this._events;\n\n if (!events)\n ret = [];\n else {\n evlistener = events[type];\n if (!evlistener)\n ret = [];\n else if (typeof evlistener === 'function')\n ret = [evlistener.listener || evlistener];\n else\n ret = unwrapListeners(evlistener);\n }\n\n return ret;\n};\n\nEventEmitter.listenerCount = function(emitter, type) {\n if (typeof emitter.listenerCount === 'function') {\n return emitter.listenerCount(type);\n } else {\n return listenerCount.call(emitter, type);\n }\n};\n\nEventEmitter.prototype.listenerCount = listenerCount;\nfunction listenerCount(type) {\n var events = this._events;\n\n if (events) {\n var evlistener = events[type];\n\n if (typeof evlistener === 'function') {\n return 1;\n } else if (evlistener) {\n return evlistener.length;\n }\n }\n\n return 0;\n}\n\nEventEmitter.prototype.eventNames = function eventNames() {\n return this._eventsCount > 0 ? Reflect.ownKeys(this._events) : [];\n};\n\n// About 1.5x faster than the two-arg version of Array#splice().\nfunction spliceOne(list, index) {\n for (var i = index, k = i + 1, n = list.length; k < n; i += 1, k += 1)\n list[i] = list[k];\n list.pop();\n}\n\nfunction arrayClone(arr, i) {\n var copy = new Array(i);\n while (i--)\n copy[i] = arr[i];\n return copy;\n}\n\nfunction unwrapListeners(arr) {\n var ret = new Array(arr.length);\n for (var i = 0; i < ret.length; ++i) {\n ret[i] = arr[i].listener || arr[i];\n }\n return ret;\n}\n","/****************************************************************************\n * Copyright 2021 EPAM Systems\n *\n * Licensed under the Apache License, Version 2.0 (the \"License\");\n * you may not use this file except in compliance with the License.\n * You may obtain a copy of the License at\n *\n * http://www.apache.org/licenses/LICENSE-2.0\n *\n * Unless required by applicable law or agreed to in writing, software\n * distributed under the License is distributed on an \"AS IS\" BASIS,\n * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.\n * See the License for the specific language governing permissions and\n * limitations under the License.\n ***************************************************************************/\n\nimport {\n AromatizeCommandData,\n AutomapCommandData,\n CalculateCipCommandData,\n CalculateCommandData,\n CalculateProps,\n CheckCommandData,\n CleanCommandData,\n Command,\n CommandOptions,\n WorkerEvent,\n ConvertCommandData,\n DearomatizeCommandData,\n GenerateImageCommandData,\n GenerateInchIKeyCommandData,\n InputMessage,\n LayoutCommandData,\n OutputMessage,\n SupportedFormat\n} from './indigoWorker.types'\nimport {\n AromatizeData,\n AromatizeResult,\n AutomapData,\n AutomapResult,\n CalculateCipData,\n CalculateCipResult,\n CalculateData,\n CalculateResult,\n CheckData,\n CheckResult,\n ChemicalMimeType,\n CleanData,\n CleanResult,\n ConvertData,\n ConvertResult,\n DearomatizeData,\n DearomatizeResult,\n GenerateImageOptions,\n InfoResult,\n LayoutData,\n LayoutResult,\n RecognizeResult,\n StructService,\n StructServiceOptions\n} from 'ketcher-core'\n\n// eslint-disable-next-line @typescript-eslint/ban-ts-comment\n// @ts-ignore\nimport IndigoWorker from 'web-worker:./indigoWorker'\nimport EventEmitter from 'events'\n\ninterface KeyValuePair {\n [key: string]: number | string | boolean | object\n}\n\nfunction convertMimeTypeToOutputFormat(\n mimeType: ChemicalMimeType\n): SupportedFormat {\n let format: SupportedFormat\n switch (mimeType) {\n case ChemicalMimeType.Mol: {\n format = SupportedFormat.Mol\n break\n }\n case ChemicalMimeType.Rxn: {\n format = SupportedFormat.Rxn\n break\n }\n case ChemicalMimeType.DaylightSmiles:\n case ChemicalMimeType.ExtendedSmiles: {\n format = SupportedFormat.Smiles\n break\n }\n case ChemicalMimeType.DaylightSmarts: {\n format = SupportedFormat.Smarts\n break\n }\n case ChemicalMimeType.InChI: {\n format = SupportedFormat.InChI\n break\n }\n case ChemicalMimeType.InChIAuxInfo: {\n format = SupportedFormat.InChIAuxInfo\n break\n }\n case ChemicalMimeType.CML: {\n format = SupportedFormat.CML\n break\n }\n case ChemicalMimeType.KET: {\n format = SupportedFormat.Ket\n break\n }\n case ChemicalMimeType.CDXML: {\n format = SupportedFormat.CDXML\n break\n }\n case ChemicalMimeType.CDX: {\n format = SupportedFormat.CDX\n break\n }\n case ChemicalMimeType.UNKNOWN:\n default: {\n throw new Error('Unsupported chemical mime type')\n }\n }\n\n return format\n}\n\nfunction mapCalculatedPropertyName(property: CalculateProps) {\n let mappedProperty: CalculateProps | undefined\n switch (property) {\n case 'gross-formula': {\n mappedProperty = 'gross'\n break\n }\n default:\n mappedProperty = property\n break\n }\n\n return mappedProperty\n}\n\nfunction mapWarningGroup(property: string) {\n let mappedProperty: string | undefined\n switch (property) {\n case 'OVERLAP_BOND': {\n mappedProperty = 'overlapping_bonds'\n break\n }\n default:\n mappedProperty = property.toLowerCase()\n break\n }\n\n return mappedProperty\n}\n\nconst messageTypeToEventMapping: {\n [key in Command]: WorkerEvent\n} = {\n [Command.Info]: WorkerEvent.Info,\n [Command.Convert]: WorkerEvent.Convert,\n [Command.Layout]: WorkerEvent.Layout,\n [Command.Clean]: WorkerEvent.Clean,\n [Command.Aromatize]: WorkerEvent.Aromatize,\n [Command.Dearomatize]: WorkerEvent.Dearomatize,\n [Command.CalculateCip]: WorkerEvent.CalculateCip,\n [Command.Automap]: WorkerEvent.Automap,\n [Command.Check]: WorkerEvent.Check,\n [Command.Calculate]: WorkerEvent.Calculate,\n [Command.GenerateImageAsBase64]: WorkerEvent.GenerateImageAsBase64,\n [Command.GenerateInchIKey]: WorkerEvent.GenerateInchIKey\n}\n\nclass IndigoService implements StructService {\n private readonly defaultOptions: StructServiceOptions\n private readonly worker: IndigoWorker\n private readonly EE: EventEmitter = new EventEmitter()\n\n constructor(defaultOptions: StructServiceOptions) {\n this.defaultOptions = defaultOptions\n this.worker = new IndigoWorker()\n this.worker.onmessage = (e: MessageEvent<OutputMessage<string>>) => {\n const message: OutputMessage<string> = e.data\n if (message.type !== undefined) {\n const event = messageTypeToEventMapping[message.type]\n this.EE.emit(event, { data: message })\n }\n }\n }\n\n async generateInchIKey(struct: string): Promise<string> {\n return new Promise((resolve, reject) => {\n const action = ({ data }) => {\n const msg: OutputMessage<string> = data\n if (!msg.hasError) {\n resolve(msg.payload || '')\n } else {\n reject(msg.error)\n }\n }\n\n const inputMessage: InputMessage<GenerateInchIKeyCommandData> = {\n type: Command.GenerateInchIKey,\n data: { struct }\n }\n\n this.EE.removeListener(WorkerEvent.GenerateInchIKey, action)\n this.EE.addListener(WorkerEvent.GenerateInchIKey, action)\n\n this.worker.postMessage(inputMessage)\n })\n }\n\n info(): Promise<InfoResult> {\n return new Promise((resolve, reject) => {\n const action = ({ data }) => {\n console.log('info action', data)\n const msg: OutputMessage<string> = data\n if (!msg.hasError) {\n const result: InfoResult = {\n // eslint-disable-next-line @typescript-eslint/no-non-null-assertion\n indigoVersion: msg.payload!,\n imagoVersions: [],\n isAvailable: true\n }\n resolve(result)\n } else {\n reject(msg.error)\n }\n }\n\n this.EE.removeListener(WorkerEvent.Info, action)\n this.EE.addListener(WorkerEvent.Info, action)\n\n this.worker.postMessage({ type: Command.Info })\n })\n }\n\n convert(\n data: ConvertData,\n options?: StructServiceOptions\n ): Promise<ConvertResult> {\n const { output_format, struct } = data\n const format = convertMimeTypeToOutputFormat(output_format)\n\n return new Promise((resolve, reject) => {\n const action = ({ data }) => {\n console.log('convert action', data)\n const msg: OutputMessage<string> = data\n if (!msg.hasError) {\n const result: ConvertResult = {\n struct: msg.payload!,\n format: output_format\n }\n resolve(result)\n } else {\n reject(msg.error)\n }\n }\n\n const commandOptions: CommandOptions = {\n ...this.defaultOptions,\n ...options\n }\n\n const commandData: ConvertCommandData = {\n struct,\n format,\n options: commandOptions\n }\n\n const inputMessage: InputMessage<ConvertCommandData> = {\n type: Command.Convert,\n data: commandData\n }\n\n this.EE.removeListener(WorkerEvent.Convert, action)\n this.EE.addListener(WorkerEvent.Convert, action)\n\n this.worker.postMessage(inputMessage)\n })\n }\n\n layout(\n data: LayoutData,\n options?: StructServiceOptions\n ): Promise<LayoutResult> {\n const { struct, output_format } = data\n const format = convertMimeTypeToOutputFormat(output_format)\n\n return new Promise((resolve, reject) => {\n const action = ({ data }) => {\n console.log('layout action', data)\n const msg: OutputMessage<string> = data\n if (!msg.hasError) {\n const result: LayoutResult = {\n struct: msg.payload!,\n format: ChemicalMimeType.Mol\n }\n resolve(result)\n } else {\n reject(msg.error)\n }\n }\n\n const commandOptions: CommandOptions = {\n ...this.defaultOptions,\n ...options\n }\n\n const commandData: LayoutCommandData = {\n struct,\n format,\n options: commandOptions\n }\n\n const inputMessage: InputMessage<LayoutCommandData> = {\n type: Command.Layout,\n data: commandData\n }\n\n this.EE.removeListener(WorkerEvent.Layout, action)\n this.EE.addListener(WorkerEvent.Layout, action)\n\n this.worker.postMessage(inputMessage)\n })\n }\n\n clean(data: CleanData, options?: StructServiceOptions): Promise<CleanResult> {\n const { struct, selected, output_format } = data\n const format = convertMimeTypeToOutputFormat(output_format)\n\n return new Promise((resolve, reject) => {\n const action = ({ data }) => {\n const msg: OutputMessage<string> = data\n if (!msg.hasError) {\n const result: CleanResult = {\n struct: msg.payload!,\n format: ChemicalMimeType.Mol\n }\n resolve(result)\n } else {\n reject(msg.error)\n }\n }\n\n const commandOptions: CommandOptions = {\n ...this.defaultOptions,\n ...options\n }\n\n const commandData: CleanCommandData = {\n struct,\n format,\n options: commandOptions,\n selectedAtoms: selected || []\n }\n\n const inputMessage: InputMessage<CleanCommandData> = {\n type: Command.Clean,\n data: commandData\n }\n\n this.EE.removeListener(WorkerEvent.Clean, action)\n this.EE.addListener(WorkerEvent.Clean, action)\n\n this.worker.postMessage(inputMessage)\n })\n }\n\n aromatize(\n data: AromatizeData,\n options?: StructServiceOptions\n ): Promise<AromatizeResult> {\n const { struct, output_format } = data\n const format = convertMimeTypeToOutputFormat(output_format)\n\n return new Promise((resolve, reject) => {\n const action = ({ data }) => {\n const msg: OutputMessage<string> = data\n if (!msg.hasError) {\n const result: AromatizeResult = {\n struct: msg.payload!,\n format: ChemicalMimeType.Mol\n }\n resolve(result)\n } else {\n reject(msg.error)\n }\n }\n\n const commandOptions: CommandOptions = {\n ...this.defaultOptions,\n ...options\n }\n\n const commandData: AromatizeCommandData = {\n struct,\n format,\n options: commandOptions\n }\n\n const inputMessage: InputMessage<AromatizeCommandData> = {\n type: Command.Aromatize,\n data: commandData\n }\n\n this.EE.removeListener(WorkerEvent.Aromatize, action)\n this.EE.addListener(WorkerEvent.Aromatize, action)\n\n this.worker.postMessage(inputMessage)\n })\n }\n\n dearomatize(\n data: DearomatizeData,\n options?: StructServiceOptions\n ): Promise<DearomatizeResult> {\n const { struct, output_format } = data\n const format = convertMimeTypeToOutputFormat(output_format)\n\n return new Promise((resolve, reject) => {\n const action = ({ data }) => {\n const msg: OutputMessage<string> = data\n if (!msg.hasError) {\n const result: AromatizeResult = {\n struct: msg.payload!,\n format: ChemicalMimeType.Mol\n }\n resolve(result)\n } else {\n reject(msg.error)\n }\n }\n\n const commandOptions: CommandOptions = {\n ...this.defaultOptions,\n ...options\n }\n\n const commandData: DearomatizeCommandData = {\n struct,\n format,\n options: commandOptions\n }\n\n const inputMessage: InputMessage<DearomatizeCommandData> = {\n type: Command.Dearomatize,\n data: commandData\n }\n\n this.EE.removeListener(WorkerEvent.Dearomatize, action)\n this.EE.addListener(WorkerEvent.Dearomatize, action)\n\n this.worker.postMessage(inputMessage)\n })\n }\n\n calculateCip(\n data: CalculateCipData,\n options?: StructServiceOptions\n ): Promise<CalculateCipResult> {\n const { struct, output_format } = data\n const format = convertMimeTypeToOutputFormat(output_format)\n\n return new Promise((resolve, reject) => {\n const action = ({ data }) => {\n const msg: OutputMessage<string> = data\n if (!msg.hasError) {\n const result: CalculateCipResult = {\n struct: msg.payload!,\n format: ChemicalMimeType.Mol\n }\n resolve(result)\n } else {\n reject(msg.error)\n }\n }\n\n const commandOptions: CommandOptions 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...this.defaultOptions,\n ...options\n }\n\n const commandData: AutomapCommandData = {\n struct,\n format,\n mode,\n options: commandOptions\n }\n\n const inputMessage: InputMessage<CalculateCipCommandData> = {\n type: Command.Automap,\n data: commandData\n }\n\n this.EE.removeListener(WorkerEvent.Automap, action)\n this.EE.addListener(WorkerEvent.Automap, action)\n\n this.worker.postMessage(inputMessage)\n })\n }\n\n check(data: CheckData, options?: StructServiceOptions): Promise<CheckResult> {\n const { types, struct } = data\n\n return new Promise((resolve, reject) => {\n const action = ({ data }) => {\n const msg: OutputMessage<string> = data\n if (!msg.hasError) {\n const warnings = JSON.parse(msg.payload!) as KeyValuePair\n\n const result: CheckResult = Object.entries(warnings).reduce(\n (acc, curr) => {\n const [key, value] = curr\n const mappedPropertyName = mapWarningGroup(key)\n acc[mappedPropertyName] = value\n\n return acc\n },\n {}\n )\n resolve(result)\n } else {\n reject(msg.error)\n }\n }\n\n const commandOptions: CommandOptions = {\n ...this.defaultOptions,\n ...options\n }\n\n const commandData: CheckCommandData = {\n struct,\n types,\n options: commandOptions\n }\n\n const inputMessage: InputMessage<CheckCommandData> = {\n type: Command.Check,\n data: commandData\n }\n\n this.EE.removeListener(WorkerEvent.Check, action)\n this.EE.addListener(WorkerEvent.Check, action)\n\n this.worker.postMessage(inputMessage)\n })\n }\n\n calculate(\n data: CalculateData,\n options?: StructServiceOptions\n ): Promise<CalculateResult> {\n const { properties, struct, selected } = data\n return new Promise((resolve, reject) => {\n const action = ({ data }) => {\n const msg: OutputMessage<string> = data\n if (!msg.hasError) {\n const calculatedProperties: CalculateResult = JSON.parse(msg.payload!)\n const result: CalculateResult = Object.entries(\n calculatedProperties\n ).reduce((acc, curr) => {\n const [key, value] = curr\n const mappedPropertyName = mapCalculatedPropertyName(\n key as CalculateProps\n )\n if (properties.includes(mappedPropertyName)) {\n acc[mappedPropertyName] = value\n }\n\n return acc\n }, {} as CalculateResult)\n resolve(result)\n } else {\n reject(msg.error)\n }\n }\n\n const commandOptions: CommandOptions = {\n ...this.defaultOptions,\n ...options\n }\n\n const commandData: CalculateCommandData = {\n struct,\n properties,\n options: commandOptions,\n selectedAtoms: selected || []\n }\n\n const inputMessage: InputMessage<CalculateCommandData> = {\n type: Command.Calculate,\n data: commandData\n }\n\n this.EE.removeListener(WorkerEvent.Calculate, action)\n this.EE.addListener(WorkerEvent.Calculate, action)\n\n this.worker.postMessage(inputMessage)\n })\n }\n\n recognize(_blob: Blob, _version: string): Promise<RecognizeResult> {\n return Promise.reject(new Error('Not supported in standalone mode'))\n }\n\n generateImageAsBase64(\n data: string,\n options: GenerateImageOptions = { outputFormat: 'png', backgroundColor: '' }\n ): Promise<string> {\n const { outputFormat, backgroundColor, ...restOptions } = options\n return new Promise((resolve, reject) => {\n const action = ({ data }) => {\n const msg: OutputMessage<string> = data\n if (!msg.hasError) {\n resolve(msg.payload!)\n } else {\n reject(msg.error)\n }\n }\n\n const commandOptions: CommandOptions = {\n ...this.defaultOptions,\n ...restOptions\n }\n\n const commandData: GenerateImageCommandData = {\n struct: data,\n outputFormat: outputFormat || 'png',\n backgroundColor: backgroundColor,\n options: commandOptions\n }\n\n const inputMessage: InputMessage<GenerateImageCommandData> = {\n type: Command.GenerateImageAsBase64,\n data: commandData\n }\n\n this.EE.removeListener(WorkerEvent.GenerateImageAsBase64, action)\n this.EE.addListener(WorkerEvent.GenerateImageAsBase64, action)\n\n this.worker.postMessage(inputMessage)\n })\n }\n}\n\nexport default IndigoService\n","/****************************************************************************\n * Copyright 2021 EPAM Systems\n *\n * Licensed under the Apache License, Version 2.0 (the \"License\");\n * you may not use this file except in compliance with the License.\n * You may obtain a copy of the License at\n *\n * http://www.apache.org/licenses/LICENSE-2.0\n *\n * Unless required by applicable law or agreed to in writing, software\n * distributed under the License is distributed on an \"AS IS\" BASIS,\n * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.\n * See the License for the specific language governing permissions and\n * limitations under the License.\n ***************************************************************************/\n\nimport {\n ServiceMode,\n StructService,\n StructServiceOptions,\n StructServiceProvider\n} from 'ketcher-core'\n\nimport StandaloneStructService from './standaloneStructService'\n\nclass StandaloneStructServiceProvider implements StructServiceProvider {\n mode: ServiceMode = 'standalone'\n\n createStructService(options: StructServiceOptions): StructService {\n return new StandaloneStructService(options)\n }\n}\nexport default 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Instantiating this is\n// faster than explicitly calling `Object.create(null)` to get a \"clean\" empty\n// object (tested with v8 v4.9).\nfunction EventHandlers() {}\nEventHandlers.prototype = Object.create(null);\n\nfunction EventEmitter() {\n EventEmitter.init.call(this);\n}\nexport default EventEmitter;\nexport {EventEmitter};\n\n// nodejs oddity\n// require('events') === require('events').EventEmitter\nEventEmitter.EventEmitter = EventEmitter\n\nEventEmitter.usingDomains = false;\n\nEventEmitter.prototype.domain = undefined;\nEventEmitter.prototype._events = undefined;\nEventEmitter.prototype._maxListeners = undefined;\n\n// By default EventEmitters will print a warning if more than 10 listeners are\n// added to it. This is a useful default which helps finding memory leaks.\nEventEmitter.defaultMaxListeners = 10;\n\nEventEmitter.init = function() {\n this.domain = null;\n if (EventEmitter.usingDomains) {\n // if there is an active domain, then attach to it.\n if (domain.active && !(this instanceof domain.Domain)) {\n this.domain = domain.active;\n }\n }\n\n if (!this._events || this._events === Object.getPrototypeOf(this)._events) {\n this._events = new EventHandlers();\n this._eventsCount = 0;\n }\n\n this._maxListeners = this._maxListeners || undefined;\n};\n\n// Obviously not all Emitters should be limited to 10. This function allows\n// that to be increased. Set to zero for unlimited.\nEventEmitter.prototype.setMaxListeners = function setMaxListeners(n) {\n if (typeof n !== 'number' || n < 0 || isNaN(n))\n throw new TypeError('\"n\" argument must be a positive number');\n this._maxListeners = n;\n return this;\n};\n\nfunction $getMaxListeners(that) {\n if (that._maxListeners === undefined)\n return EventEmitter.defaultMaxListeners;\n return that._maxListeners;\n}\n\nEventEmitter.prototype.getMaxListeners = function getMaxListeners() {\n return $getMaxListeners(this);\n};\n\n// These standalone emit* functions are used to optimize calling of event\n// handlers for fast cases because emit() itself often has a variable number of\n// arguments and can be deoptimized because of that. These functions always have\n// the same number of arguments and thus do not get deoptimized, so the code\n// inside them can execute faster.\nfunction emitNone(handler, isFn, self) {\n if (isFn)\n handler.call(self);\n else {\n var len = handler.length;\n var listeners = arrayClone(handler, len);\n for (var i = 0; i < len; ++i)\n listeners[i].call(self);\n }\n}\nfunction emitOne(handler, isFn, self, arg1) {\n if (isFn)\n handler.call(self, arg1);\n else {\n var len = handler.length;\n var listeners = arrayClone(handler, len);\n for (var i = 0; i < len; ++i)\n listeners[i].call(self, arg1);\n }\n}\nfunction emitTwo(handler, isFn, self, arg1, arg2) {\n if (isFn)\n handler.call(self, arg1, arg2);\n else {\n var len = handler.length;\n var listeners = arrayClone(handler, len);\n for (var i = 0; i < len; ++i)\n listeners[i].call(self, arg1, arg2);\n }\n}\nfunction emitThree(handler, isFn, self, arg1, arg2, arg3) {\n if (isFn)\n handler.call(self, arg1, arg2, arg3);\n else {\n var len = handler.length;\n var listeners = arrayClone(handler, len);\n for (var i = 0; i < len; ++i)\n listeners[i].call(self, arg1, arg2, arg3);\n }\n}\n\nfunction emitMany(handler, isFn, self, args) {\n if (isFn)\n handler.apply(self, args);\n else {\n var len = handler.length;\n var listeners = arrayClone(handler, len);\n for (var i = 0; i < len; ++i)\n listeners[i].apply(self, args);\n }\n}\n\nEventEmitter.prototype.emit = function emit(type) {\n var er, handler, len, args, i, events, domain;\n var needDomainExit = false;\n var doError = (type === 'error');\n\n events = this._events;\n if (events)\n doError = (doError && events.error == null);\n else if (!doError)\n return false;\n\n domain = this.domain;\n\n // If there is no 'error' event listener then throw.\n if (doError) {\n er = arguments[1];\n if (domain) {\n if (!er)\n er = new Error('Uncaught, unspecified \"error\" event');\n er.domainEmitter = this;\n er.domain = domain;\n er.domainThrown = false;\n domain.emit('error', er);\n } else if (er instanceof Error) {\n throw er; // Unhandled 'error' event\n } else {\n // At least give some kind of context to the user\n var err = new Error('Uncaught, unspecified \"error\" event. (' + er + ')');\n err.context = er;\n throw err;\n }\n return false;\n }\n\n handler = events[type];\n\n if (!handler)\n return false;\n\n var isFn = typeof handler === 'function';\n len = arguments.length;\n switch (len) {\n // fast cases\n case 1:\n emitNone(handler, isFn, this);\n break;\n case 2:\n emitOne(handler, isFn, this, arguments[1]);\n break;\n case 3:\n emitTwo(handler, isFn, this, arguments[1], arguments[2]);\n break;\n case 4:\n emitThree(handler, isFn, this, arguments[1], arguments[2], arguments[3]);\n break;\n // slower\n default:\n args = new Array(len - 1);\n for (i = 1; i < len; i++)\n args[i - 1] = arguments[i];\n emitMany(handler, isFn, this, args);\n }\n\n if (needDomainExit)\n domain.exit();\n\n return true;\n};\n\nfunction _addListener(target, type, listener, prepend) {\n var m;\n var events;\n var existing;\n\n if (typeof listener !== 'function')\n throw new TypeError('\"listener\" argument must be a function');\n\n events = target._events;\n if (!events) {\n events = target._events = new EventHandlers();\n target._eventsCount = 0;\n } else {\n // To avoid recursion in the case that type === \"newListener\"! Before\n // adding it to the listeners, first emit \"newListener\".\n if (events.newListener) {\n target.emit('newListener', type,\n listener.listener ? listener.listener : listener);\n\n // Re-assign `events` because a newListener handler could have caused the\n // this._events to be assigned to a new object\n events = target._events;\n }\n existing = events[type];\n }\n\n if (!existing) {\n // Optimize the case of one listener. Don't need the extra array object.\n existing = events[type] = listener;\n ++target._eventsCount;\n } else {\n if (typeof existing === 'function') {\n // Adding the second element, need to change to array.\n existing = events[type] = prepend ? [listener, existing] :\n [existing, listener];\n } else {\n // If we've already got an array, just append.\n if (prepend) {\n existing.unshift(listener);\n } else {\n existing.push(listener);\n }\n }\n\n // Check for listener leak\n if (!existing.warned) {\n m = $getMaxListeners(target);\n if (m && m > 0 && existing.length > m) {\n existing.warned = true;\n var w = new Error('Possible EventEmitter memory leak detected. ' +\n existing.length + ' ' + type + ' listeners added. ' +\n 'Use emitter.setMaxListeners() to increase limit');\n w.name = 'MaxListenersExceededWarning';\n w.emitter = target;\n w.type = type;\n w.count = existing.length;\n emitWarning(w);\n }\n }\n }\n\n return target;\n}\nfunction emitWarning(e) {\n typeof console.warn === 'function' ? console.warn(e) : console.log(e);\n}\nEventEmitter.prototype.addListener = function addListener(type, listener) {\n return _addListener(this, type, listener, false);\n};\n\nEventEmitter.prototype.on = EventEmitter.prototype.addListener;\n\nEventEmitter.prototype.prependListener =\n function prependListener(type, listener) {\n return _addListener(this, type, listener, true);\n };\n\nfunction _onceWrap(target, type, listener) {\n var fired = false;\n function g() {\n target.removeListener(type, g);\n if (!fired) {\n fired = true;\n listener.apply(target, arguments);\n }\n }\n g.listener = listener;\n return g;\n}\n\nEventEmitter.prototype.once = function once(type, listener) {\n if (typeof listener !== 'function')\n throw new TypeError('\"listener\" argument must be a function');\n this.on(type, _onceWrap(this, type, listener));\n return this;\n};\n\nEventEmitter.prototype.prependOnceListener =\n function prependOnceListener(type, listener) {\n if (typeof listener !== 'function')\n throw new TypeError('\"listener\" argument must be a function');\n this.prependListener(type, _onceWrap(this, type, listener));\n return this;\n };\n\n// emits a 'removeListener' event iff the listener was removed\nEventEmitter.prototype.removeListener =\n function removeListener(type, listener) {\n var list, events, position, i, originalListener;\n\n if (typeof listener !== 'function')\n throw new TypeError('\"listener\" argument must be a function');\n\n events = this._events;\n if (!events)\n return this;\n\n list = events[type];\n if (!list)\n return this;\n\n if (list === listener || (list.listener && list.listener === listener)) {\n if (--this._eventsCount === 0)\n this._events = new EventHandlers();\n else {\n delete events[type];\n if (events.removeListener)\n this.emit('removeListener', type, list.listener || listener);\n }\n } else if (typeof list !== 'function') {\n position = -1;\n\n for (i = list.length; i-- > 0;) {\n if (list[i] === listener ||\n (list[i].listener && list[i].listener === listener)) {\n originalListener = list[i].listener;\n position = i;\n break;\n }\n }\n\n if (position < 0)\n return this;\n\n if (list.length === 1) {\n list[0] = undefined;\n if (--this._eventsCount === 0) {\n this._events = new EventHandlers();\n return this;\n } else {\n delete events[type];\n }\n } else {\n spliceOne(list, position);\n }\n\n if (events.removeListener)\n this.emit('removeListener', type, originalListener || listener);\n }\n\n return this;\n };\n\nEventEmitter.prototype.removeAllListeners =\n function removeAllListeners(type) {\n var listeners, events;\n\n events = this._events;\n if (!events)\n return this;\n\n // not listening for removeListener, no need to emit\n if (!events.removeListener) {\n if (arguments.length === 0) {\n this._events = new EventHandlers();\n this._eventsCount = 0;\n } else if (events[type]) {\n if (--this._eventsCount === 0)\n this._events = new EventHandlers();\n else\n delete events[type];\n }\n return this;\n }\n\n // emit removeListener for all listeners on all events\n if (arguments.length === 0) {\n var keys = Object.keys(events);\n for (var i = 0, key; i < keys.length; ++i) {\n key = keys[i];\n if (key === 'removeListener') continue;\n this.removeAllListeners(key);\n }\n this.removeAllListeners('removeListener');\n this._events = new EventHandlers();\n this._eventsCount = 0;\n return this;\n }\n\n listeners = events[type];\n\n if (typeof listeners === 'function') {\n this.removeListener(type, listeners);\n } else if (listeners) {\n // LIFO order\n do {\n this.removeListener(type, listeners[listeners.length - 1]);\n } while (listeners[0]);\n }\n\n return this;\n };\n\nEventEmitter.prototype.listeners = function listeners(type) {\n var evlistener;\n var ret;\n var events = this._events;\n\n if (!events)\n ret = [];\n else {\n evlistener = events[type];\n if (!evlistener)\n ret = [];\n else if (typeof evlistener === 'function')\n ret = [evlistener.listener || evlistener];\n else\n ret = unwrapListeners(evlistener);\n }\n\n return ret;\n};\n\nEventEmitter.listenerCount = function(emitter, type) {\n if (typeof emitter.listenerCount === 'function') {\n return emitter.listenerCount(type);\n } else {\n return listenerCount.call(emitter, type);\n }\n};\n\nEventEmitter.prototype.listenerCount = listenerCount;\nfunction listenerCount(type) {\n var events = this._events;\n\n if (events) {\n var evlistener = events[type];\n\n if (typeof evlistener === 'function') {\n return 1;\n } else if (evlistener) {\n return evlistener.length;\n }\n }\n\n return 0;\n}\n\nEventEmitter.prototype.eventNames = function eventNames() {\n return this._eventsCount > 0 ? Reflect.ownKeys(this._events) : [];\n};\n\n// About 1.5x faster than the two-arg version of Array#splice().\nfunction spliceOne(list, index) {\n for (var i = index, k = i + 1, n = list.length; k < n; i += 1, k += 1)\n list[i] = list[k];\n list.pop();\n}\n\nfunction arrayClone(arr, i) {\n var copy = new Array(i);\n while (i--)\n copy[i] = arr[i];\n return copy;\n}\n\nfunction unwrapListeners(arr) {\n var ret = new Array(arr.length);\n for (var i = 0; i < ret.length; ++i) {\n ret[i] = arr[i].listener || arr[i];\n }\n return ret;\n}\n","/****************************************************************************\n * Copyright 2021 EPAM Systems\n *\n * Licensed under the Apache License, Version 2.0 (the \"License\");\n * you may not use this file except in compliance with the License.\n * You may obtain a copy of the License at\n *\n * http://www.apache.org/licenses/LICENSE-2.0\n *\n * Unless required by applicable law or agreed to in writing, software\n * distributed under the License is distributed on an \"AS IS\" BASIS,\n * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.\n * See the License for the specific language governing permissions and\n * limitations under the License.\n ***************************************************************************/\n\nimport {\n AromatizeCommandData,\n AutomapCommandData,\n CalculateCipCommandData,\n CalculateCommandData,\n CalculateProps,\n CheckCommandData,\n CleanCommandData,\n Command,\n CommandOptions,\n WorkerEvent,\n ConvertCommandData,\n DearomatizeCommandData,\n GenerateImageCommandData,\n GenerateInchIKeyCommandData,\n InputMessage,\n LayoutCommandData,\n OutputMessage,\n SupportedFormat\n} from './indigoWorker.types'\nimport {\n AromatizeData,\n AromatizeResult,\n AutomapData,\n AutomapResult,\n CalculateCipData,\n CalculateCipResult,\n CalculateData,\n CalculateResult,\n CheckData,\n CheckResult,\n ChemicalMimeType,\n CleanData,\n CleanResult,\n ConvertData,\n ConvertResult,\n DearomatizeData,\n DearomatizeResult,\n GenerateImageOptions,\n InfoResult,\n LayoutData,\n LayoutResult,\n RecognizeResult,\n StructService,\n StructServiceOptions\n} from 'ketcher-core'\n\n// eslint-disable-next-line @typescript-eslint/ban-ts-comment\n// @ts-ignore\nimport IndigoWorker from 'web-worker:./indigoWorker'\nimport EventEmitter from 'events'\n\ninterface KeyValuePair {\n [key: string]: number | string | boolean | object\n}\n\nfunction convertMimeTypeToOutputFormat(\n mimeType: ChemicalMimeType\n): SupportedFormat {\n let format: SupportedFormat\n switch (mimeType) {\n case ChemicalMimeType.Mol: {\n format = SupportedFormat.Mol\n break\n }\n case ChemicalMimeType.Rxn: {\n format = SupportedFormat.Rxn\n break\n }\n case ChemicalMimeType.DaylightSmiles:\n case ChemicalMimeType.ExtendedSmiles: {\n format = SupportedFormat.Smiles\n break\n }\n case ChemicalMimeType.DaylightSmarts: {\n format = SupportedFormat.Smarts\n break\n }\n case ChemicalMimeType.InChI: {\n format = SupportedFormat.InChI\n break\n }\n case ChemicalMimeType.InChIAuxInfo: {\n format = SupportedFormat.InChIAuxInfo\n break\n }\n case ChemicalMimeType.CML: {\n format = SupportedFormat.CML\n break\n }\n case ChemicalMimeType.KET: {\n format = SupportedFormat.Ket\n break\n }\n case ChemicalMimeType.CDXML: {\n format = SupportedFormat.CDXML\n break\n }\n case ChemicalMimeType.CDX: {\n format = SupportedFormat.CDX\n break\n }\n case ChemicalMimeType.UNKNOWN:\n default: {\n throw new Error('Unsupported chemical mime type')\n }\n }\n\n return format\n}\n\nfunction mapCalculatedPropertyName(property: CalculateProps) {\n let mappedProperty: CalculateProps | undefined\n switch (property) {\n case 'gross-formula': {\n mappedProperty = 'gross'\n break\n }\n default:\n mappedProperty = property\n break\n }\n\n return mappedProperty\n}\n\nfunction mapWarningGroup(property: string) {\n let mappedProperty: string | undefined\n switch (property) {\n case 'OVERLAP_BOND': {\n mappedProperty = 'overlapping_bonds'\n break\n }\n default:\n mappedProperty = property.toLowerCase()\n break\n }\n\n return mappedProperty\n}\n\nconst messageTypeToEventMapping: {\n [key in Command]: WorkerEvent\n} = {\n [Command.Info]: WorkerEvent.Info,\n [Command.Convert]: WorkerEvent.Convert,\n [Command.Layout]: WorkerEvent.Layout,\n [Command.Clean]: WorkerEvent.Clean,\n [Command.Aromatize]: WorkerEvent.Aromatize,\n [Command.Dearomatize]: WorkerEvent.Dearomatize,\n [Command.CalculateCip]: WorkerEvent.CalculateCip,\n [Command.Automap]: WorkerEvent.Automap,\n [Command.Check]: WorkerEvent.Check,\n [Command.Calculate]: WorkerEvent.Calculate,\n [Command.GenerateImageAsBase64]: WorkerEvent.GenerateImageAsBase64,\n [Command.GenerateInchIKey]: WorkerEvent.GenerateInchIKey\n}\n\nclass IndigoService implements StructService {\n private readonly defaultOptions: StructServiceOptions\n private readonly worker: IndigoWorker\n private readonly EE: EventEmitter = new EventEmitter()\n\n constructor(defaultOptions: StructServiceOptions) {\n this.defaultOptions = defaultOptions\n this.worker = new IndigoWorker()\n this.worker.onmessage = (e: MessageEvent<OutputMessage<string>>) => {\n const message: OutputMessage<string> = e.data\n if (message.type !== undefined) {\n const event = messageTypeToEventMapping[message.type]\n this.EE.emit(event, { data: message })\n }\n }\n }\n\n async generateInchIKey(struct: string): Promise<string> {\n return new Promise((resolve, reject) => {\n const action = ({ data }) => {\n const msg: OutputMessage<string> = data\n if (!msg.hasError) {\n resolve(msg.payload || '')\n } else {\n reject(msg.error)\n }\n }\n\n const inputMessage: InputMessage<GenerateInchIKeyCommandData> = {\n type: Command.GenerateInchIKey,\n data: { struct }\n }\n\n this.EE.removeListener(WorkerEvent.GenerateInchIKey, action)\n this.EE.addListener(WorkerEvent.GenerateInchIKey, action)\n\n this.worker.postMessage(inputMessage)\n })\n }\n\n info(): Promise<InfoResult> {\n return new Promise((resolve, reject) => {\n const action = ({ data }) => {\n console.log('info action', data)\n const msg: OutputMessage<string> = data\n if (!msg.hasError) {\n const result: InfoResult = {\n // eslint-disable-next-line @typescript-eslint/no-non-null-assertion\n indigoVersion: msg.payload!,\n imagoVersions: [],\n isAvailable: true\n }\n resolve(result)\n } else {\n reject(msg.error)\n }\n }\n\n this.EE.removeListener(WorkerEvent.Info, action)\n this.EE.addListener(WorkerEvent.Info, action)\n\n this.worker.postMessage({ type: Command.Info })\n })\n }\n\n convert(\n data: ConvertData,\n options?: StructServiceOptions\n ): Promise<ConvertResult> {\n const { output_format, struct } = data\n const format = convertMimeTypeToOutputFormat(output_format)\n\n return new Promise((resolve, reject) => {\n const action = ({ data }) => {\n console.log('convert action', data)\n const msg: OutputMessage<string> = data\n if (!msg.hasError) {\n const result: ConvertResult = {\n struct: msg.payload!,\n format: output_format\n }\n resolve(result)\n } else {\n reject(msg.error)\n }\n }\n\n const commandOptions: CommandOptions = {\n ...this.defaultOptions,\n ...options\n }\n\n const commandData: ConvertCommandData = {\n struct,\n format,\n options: commandOptions\n }\n\n const inputMessage: InputMessage<ConvertCommandData> = {\n type: Command.Convert,\n data: commandData\n }\n\n this.EE.removeListener(WorkerEvent.Convert, action)\n this.EE.addListener(WorkerEvent.Convert, action)\n\n this.worker.postMessage(inputMessage)\n })\n }\n\n layout(\n data: LayoutData,\n options?: StructServiceOptions\n ): Promise<LayoutResult> {\n const { struct, output_format } = data\n const format = convertMimeTypeToOutputFormat(output_format)\n\n return new Promise((resolve, reject) => {\n const action = ({ data }) => {\n console.log('layout action', data)\n const msg: OutputMessage<string> = data\n if (!msg.hasError) {\n const result: LayoutResult = {\n struct: msg.payload!,\n format: ChemicalMimeType.Mol\n }\n resolve(result)\n } else {\n reject(msg.error)\n }\n }\n\n const commandOptions: CommandOptions = {\n ...this.defaultOptions,\n ...options\n }\n\n const commandData: LayoutCommandData = {\n struct,\n format,\n options: commandOptions\n }\n\n const inputMessage: InputMessage<LayoutCommandData> = {\n type: Command.Layout,\n data: commandData\n }\n\n this.EE.removeListener(WorkerEvent.Layout, action)\n this.EE.addListener(WorkerEvent.Layout, action)\n\n this.worker.postMessage(inputMessage)\n })\n }\n\n clean(data: CleanData, options?: StructServiceOptions): Promise<CleanResult> {\n const { struct, selected, output_format } = data\n const format = convertMimeTypeToOutputFormat(output_format)\n\n return new Promise((resolve, reject) => {\n const action = ({ data }) => {\n const msg: OutputMessage<string> = data\n if (!msg.hasError) {\n const result: CleanResult = {\n struct: msg.payload!,\n format: ChemicalMimeType.Mol\n }\n resolve(result)\n } else {\n reject(msg.error)\n }\n }\n\n const commandOptions: CommandOptions = {\n ...this.defaultOptions,\n ...options\n }\n\n const commandData: CleanCommandData = {\n struct,\n format,\n options: commandOptions,\n selectedAtoms: selected || []\n }\n\n const inputMessage: InputMessage<CleanCommandData> = {\n type: Command.Clean,\n data: commandData\n }\n\n this.EE.removeListener(WorkerEvent.Clean, action)\n this.EE.addListener(WorkerEvent.Clean, action)\n\n this.worker.postMessage(inputMessage)\n })\n }\n\n aromatize(\n data: AromatizeData,\n options?: StructServiceOptions\n ): Promise<AromatizeResult> {\n const { struct, output_format } = data\n const format = convertMimeTypeToOutputFormat(output_format)\n\n return new Promise((resolve, reject) => {\n const action = ({ data }) => {\n const msg: OutputMessage<string> = data\n if (!msg.hasError) {\n const result: AromatizeResult = {\n struct: msg.payload!,\n format: ChemicalMimeType.Mol\n }\n resolve(result)\n } else {\n reject(msg.error)\n }\n }\n\n const commandOptions: CommandOptions = {\n ...this.defaultOptions,\n ...options\n }\n\n const commandData: AromatizeCommandData = {\n struct,\n format,\n options: commandOptions\n }\n\n const inputMessage: InputMessage<AromatizeCommandData> = {\n type: Command.Aromatize,\n data: commandData\n }\n\n this.EE.removeListener(WorkerEvent.Aromatize, action)\n this.EE.addListener(WorkerEvent.Aromatize, action)\n\n this.worker.postMessage(inputMessage)\n })\n }\n\n dearomatize(\n data: DearomatizeData,\n options?: StructServiceOptions\n ): Promise<DearomatizeResult> {\n const { struct, output_format } = data\n const format = convertMimeTypeToOutputFormat(output_format)\n\n return new Promise((resolve, reject) => {\n const action = ({ data }) => {\n const msg: OutputMessage<string> = data\n if (!msg.hasError) {\n const result: AromatizeResult = {\n struct: msg.payload!,\n format: ChemicalMimeType.Mol\n }\n resolve(result)\n } else {\n reject(msg.error)\n }\n }\n\n const commandOptions: CommandOptions = {\n ...this.defaultOptions,\n ...options\n }\n\n const commandData: DearomatizeCommandData = {\n struct,\n format,\n options: commandOptions\n }\n\n const inputMessage: InputMessage<DearomatizeCommandData> = {\n type: Command.Dearomatize,\n data: commandData\n }\n\n this.EE.removeListener(WorkerEvent.Dearomatize, action)\n this.EE.addListener(WorkerEvent.Dearomatize, action)\n\n this.worker.postMessage(inputMessage)\n })\n }\n\n calculateCip(\n data: CalculateCipData,\n options?: StructServiceOptions\n ): Promise<CalculateCipResult> {\n const { struct, output_format } = data\n const format = convertMimeTypeToOutputFormat(output_format)\n\n return new Promise((resolve, reject) => {\n const action = ({ data }) => {\n const msg: OutputMessage<string> = data\n if (!msg.hasError) {\n const result: CalculateCipResult = {\n struct: msg.payload!,\n format: ChemicalMimeType.Mol\n }\n resolve(result)\n } else {\n reject(msg.error)\n }\n }\n\n const commandOptions: CommandOptions = {\n ...this.defaultOptions,\n ...options\n }\n\n const commandData: CalculateCipCommandData = {\n struct,\n format,\n options: commandOptions\n }\n\n const inputMessage: InputMessage<CalculateCipCommandData> = {\n type: Command.CalculateCip,\n data: commandData\n }\n\n this.EE.removeListener(WorkerEvent.CalculateCip, action)\n this.EE.addListener(WorkerEvent.CalculateCip, action)\n\n this.worker.postMessage(inputMessage)\n })\n }\n\n automap(\n data: AutomapData,\n options?: StructServiceOptions\n ): Promise<AutomapResult> {\n const { mode, struct, output_format } = data\n const format = convertMimeTypeToOutputFormat(output_format)\n\n return new Promise((resolve, reject) => {\n const action = ({ data }) => {\n const msg: OutputMessage<string> = data\n if (!msg.hasError) {\n const result: AutomapResult = {\n struct: msg.payload!,\n format: ChemicalMimeType.Mol\n }\n resolve(result)\n } else {\n reject(msg.error)\n }\n }\n\n const commandOptions: CommandOptions = {\n ...this.defaultOptions,\n ...options\n }\n\n const commandData: AutomapCommandData = {\n struct,\n format,\n mode,\n options: commandOptions\n }\n\n const inputMessage: InputMessage<CalculateCipCommandData> = {\n type: Command.Automap,\n data: commandData\n }\n\n this.EE.removeListener(WorkerEvent.Automap, action)\n this.EE.addListener(WorkerEvent.Automap, action)\n\n this.worker.postMessage(inputMessage)\n })\n }\n\n check(data: CheckData, options?: StructServiceOptions): Promise<CheckResult> {\n const { types, struct } = data\n\n return new Promise((resolve, reject) => {\n const action = ({ data }) => {\n const msg: OutputMessage<string> = data\n if (!msg.hasError) {\n const warnings = JSON.parse(msg.payload!) as KeyValuePair\n\n const result: CheckResult = Object.entries(warnings).reduce(\n (acc, curr) => {\n const [key, value] = curr\n const mappedPropertyName = mapWarningGroup(key)\n acc[mappedPropertyName] = value\n\n return acc\n },\n {}\n )\n resolve(result)\n } else {\n reject(msg.error)\n }\n }\n\n const commandOptions: CommandOptions = {\n ...this.defaultOptions,\n ...options\n }\n\n const commandData: CheckCommandData = {\n struct,\n types,\n options: commandOptions\n }\n\n const inputMessage: InputMessage<CheckCommandData> = {\n type: Command.Check,\n data: commandData\n }\n\n this.EE.removeListener(WorkerEvent.Check, action)\n this.EE.addListener(WorkerEvent.Check, action)\n\n this.worker.postMessage(inputMessage)\n })\n }\n\n calculate(\n data: CalculateData,\n options?: StructServiceOptions\n ): Promise<CalculateResult> {\n const { properties, struct, selected } = data\n return new Promise((resolve, reject) => {\n const action = ({ data }) => {\n const msg: OutputMessage<string> = data\n if (!msg.hasError) {\n const calculatedProperties: CalculateResult = JSON.parse(msg.payload!)\n const result: CalculateResult = Object.entries(\n calculatedProperties\n ).reduce((acc, curr) => {\n const [key, value] = curr\n const mappedPropertyName = mapCalculatedPropertyName(\n key as CalculateProps\n )\n if (properties.includes(mappedPropertyName)) {\n acc[mappedPropertyName] = value\n }\n\n return acc\n }, {} as CalculateResult)\n resolve(result)\n } else {\n reject(msg.error)\n }\n }\n\n const commandOptions: CommandOptions = {\n ...this.defaultOptions,\n ...options\n }\n\n const commandData: CalculateCommandData = {\n struct,\n properties,\n options: commandOptions,\n selectedAtoms: selected || []\n }\n\n const inputMessage: InputMessage<CalculateCommandData> = {\n type: Command.Calculate,\n data: commandData\n }\n\n this.EE.removeListener(WorkerEvent.Calculate, action)\n this.EE.addListener(WorkerEvent.Calculate, action)\n\n this.worker.postMessage(inputMessage)\n })\n }\n\n recognize(_blob: Blob, _version: string): Promise<RecognizeResult> {\n return Promise.reject(new Error('Not supported in standalone mode'))\n }\n\n generateImageAsBase64(\n data: string,\n options: GenerateImageOptions = { outputFormat: 'png', backgroundColor: '' }\n ): Promise<string> {\n const { outputFormat, backgroundColor, ...restOptions } = options\n return new Promise((resolve, reject) => {\n const action = ({ data }) => {\n const msg: OutputMessage<string> = data\n if (!msg.hasError) {\n resolve(msg.payload!)\n } else {\n reject(msg.error)\n }\n }\n\n const commandOptions: CommandOptions = {\n ...this.defaultOptions,\n ...restOptions\n }\n\n const commandData: GenerateImageCommandData = {\n struct: data,\n outputFormat: outputFormat || 'png',\n backgroundColor: backgroundColor,\n options: commandOptions\n }\n\n const inputMessage: InputMessage<GenerateImageCommandData> = {\n type: Command.GenerateImageAsBase64,\n data: commandData\n }\n\n this.EE.removeListener(WorkerEvent.GenerateImageAsBase64, action)\n this.EE.addListener(WorkerEvent.GenerateImageAsBase64, action)\n\n this.worker.postMessage(inputMessage)\n })\n }\n}\n\nexport default IndigoService\n","/****************************************************************************\n * Copyright 2021 EPAM Systems\n *\n * Licensed under the Apache License, Version 2.0 (the \"License\");\n * you may not use this file except in compliance with the License.\n * You may obtain a copy of the License at\n *\n * http://www.apache.org/licenses/LICENSE-2.0\n *\n * Unless required by applicable law or agreed to in writing, software\n * distributed under the License is distributed on an \"AS IS\" BASIS,\n * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.\n * See the License for the specific language governing permissions and\n * limitations under the License.\n ***************************************************************************/\n\nimport {\n ServiceMode,\n StructService,\n StructServiceOptions,\n StructServiceProvider\n} from 'ketcher-core'\n\nimport StandaloneStructService from './standaloneStructService'\n\nclass StandaloneStructServiceProvider implements StructServiceProvider {\n mode: ServiceMode = 'standalone'\n\n createStructService(options: StructServiceOptions): StructService {\n return new StandaloneStructService(options)\n }\n}\nexport default 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package/dist/index.modern.js CHANGED
@@ -725,7 +725,6 @@ var IndigoService = function () {
725
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  return new Promise(function (resolve, reject) {
726
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  var action = function action(_ref2) {
727
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  var data = _ref2.data;
728
- console.log('info action', data);
729
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  var msg = data;
730
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  if (!msg.hasError) {
731
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  var result = {
@@ -755,7 +754,6 @@ var IndigoService = function () {
755
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  return new Promise(function (resolve, reject) {
756
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  var action = function action(_ref3) {
757
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  var data = _ref3.data;
758
- console.log('convert action', data);
759
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  var msg = data;
760
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  if (!msg.hasError) {
761
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  var result = {
@@ -792,7 +790,6 @@ var IndigoService = function () {
792
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  return new Promise(function (resolve, reject) {
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  var action = function action(_ref4) {
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  var data = _ref4.data;
795
- console.log('layout action', data);
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  var msg = data;
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  if (!msg.hasError) {
798
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  var result = {
package/dist/index.modern.js.map CHANGED
@@ -1 +1 @@
1
- {"version":3,"file":"index.modern.js","sources":["../src/infrastructure/services/struct/indigoWorker.types.ts","../../../node_modules/rollup-plugin-node-polyfills/polyfills/events.js","../src/infrastructure/services/struct/standaloneStructService.ts","../src/infrastructure/services/struct/standaloneStructServiceProvider.ts"],"sourcesContent":["/****************************************************************************\n * Copyright 2021 EPAM Systems\n *\n * Licensed under the Apache License, Version 2.0 (the \"License\");\n * you may not use this file except in compliance with the License.\n * You may obtain a copy of the License at\n *\n * http://www.apache.org/licenses/LICENSE-2.0\n *\n * Unless required by applicable law or agreed to in writing, software\n * distributed under the License is distributed on an \"AS IS\" BASIS,\n * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.\n * See the License for the specific language governing permissions and\n * limitations under the License.\n ***************************************************************************/\n\nexport const enum Command {\n Info,\n Convert,\n Layout,\n Clean,\n Aromatize,\n Dearomatize,\n CalculateCip,\n Automap,\n Check,\n Calculate,\n GenerateImageAsBase64,\n GenerateInchIKey\n}\n\nexport const enum WorkerEvent {\n Info = 'info',\n Convert = 'convert',\n Layout = 'layout',\n Clean = 'clean',\n Aromatize = 'aromatize',\n Dearomatize = 'dearomatize',\n CalculateCip = 'calculateCip',\n Automap = 'automap',\n Check = 'check',\n Calculate = 'calculate',\n GenerateImageAsBase64 = 'generateImageAsBase64',\n GenerateInchIKey = 'generateInchIKey'\n}\n\nexport enum SupportedFormat {\n Rxn = 'rxnfile',\n Mol = 'molfile',\n Smiles = 'smiles',\n Smarts = 'smarts',\n CML = 'cml',\n InChI = 'inchi',\n InChIAuxInfo = 'inchi-aux',\n Ket = 'ket',\n CDX = 'cdx',\n CDXML = 'cdxml'\n}\n\nexport interface WithStruct {\n struct: string\n}\n\nexport interface WithFormat {\n format: SupportedFormat\n}\n\nexport interface WithSelection {\n selectedAtoms: Array<number>\n}\n\nexport interface CommandOptions {\n [key: string]: string | number | boolean | undefined\n}\n\nexport interface CommandData {\n options?: CommandOptions\n}\n\nexport interface CheckCommandData extends CommandData, WithStruct {\n types: Array<string>\n}\n\nexport interface ConvertCommandData\n extends CommandData,\n WithStruct,\n WithFormat {}\n\nexport interface GenerateInchIKeyCommandData extends CommandData, WithStruct {}\n\nexport interface GenerateImageCommandData extends CommandData, WithStruct {\n outputFormat: 'png' | 'svg'\n backgroundColor?: string\n}\n\nexport interface LayoutCommandData\n extends CommandData,\n WithStruct,\n WithFormat {}\n\nexport interface CleanCommandData\n extends CommandData,\n WithStruct,\n WithSelection,\n WithFormat {}\n\nexport interface AromatizeCommandData\n extends CommandData,\n WithStruct,\n WithFormat {}\n\nexport interface DearomatizeCommandData\n extends CommandData,\n WithStruct,\n WithFormat {}\n\nexport interface CalculateCipCommandData\n extends CommandData,\n WithStruct,\n WithFormat {}\n\nexport type CalculateProps =\n | 'molecular-weight'\n | 'most-abundant-mass'\n | 'monoisotopic-mass'\n | 'gross'\n | 'gross-formula'\n | 'mass-composition'\n\nexport interface CalculateCommandData\n extends CommandData,\n WithStruct,\n WithSelection {\n properties: Array<string>\n}\n\nexport interface AutomapCommandData\n extends CommandData,\n WithStruct,\n WithFormat {\n mode: string\n}\n\nexport interface OutputMessage<T> {\n type?: Command\n hasError?: boolean\n payload?: T\n error?: string\n}\nexport interface InputMessage<T> {\n type: Command\n data: T\n}\n","'use strict';\n\nvar domain;\n\n// This constructor is used to store event handlers. Instantiating this is\n// faster than explicitly calling `Object.create(null)` to get a \"clean\" empty\n// object (tested with v8 v4.9).\nfunction EventHandlers() {}\nEventHandlers.prototype = Object.create(null);\n\nfunction EventEmitter() {\n EventEmitter.init.call(this);\n}\nexport default EventEmitter;\nexport {EventEmitter};\n\n// nodejs oddity\n// require('events') === require('events').EventEmitter\nEventEmitter.EventEmitter = EventEmitter\n\nEventEmitter.usingDomains = false;\n\nEventEmitter.prototype.domain = undefined;\nEventEmitter.prototype._events = undefined;\nEventEmitter.prototype._maxListeners = undefined;\n\n// By default EventEmitters will print a warning if more than 10 listeners are\n// added to it. This is a useful default which helps finding memory leaks.\nEventEmitter.defaultMaxListeners = 10;\n\nEventEmitter.init = function() {\n this.domain = null;\n if (EventEmitter.usingDomains) {\n // if there is an active domain, then attach to it.\n if (domain.active && !(this instanceof domain.Domain)) {\n this.domain = domain.active;\n }\n }\n\n if (!this._events || this._events === Object.getPrototypeOf(this)._events) {\n this._events = new EventHandlers();\n this._eventsCount = 0;\n }\n\n this._maxListeners = this._maxListeners || undefined;\n};\n\n// Obviously not all Emitters should be limited to 10. This function allows\n// that to be increased. Set to zero for unlimited.\nEventEmitter.prototype.setMaxListeners = function setMaxListeners(n) {\n if (typeof n !== 'number' || n < 0 || isNaN(n))\n throw new TypeError('\"n\" argument must be a positive number');\n this._maxListeners = n;\n return this;\n};\n\nfunction $getMaxListeners(that) {\n if (that._maxListeners === undefined)\n return EventEmitter.defaultMaxListeners;\n return that._maxListeners;\n}\n\nEventEmitter.prototype.getMaxListeners = function getMaxListeners() {\n return $getMaxListeners(this);\n};\n\n// These standalone emit* functions are used to optimize calling of event\n// handlers for fast cases because emit() itself often has a variable number of\n// arguments and can be deoptimized because of that. These functions always have\n// the same number of arguments and thus do not get deoptimized, so the code\n// inside them can execute faster.\nfunction emitNone(handler, isFn, self) {\n if (isFn)\n handler.call(self);\n else {\n var len = handler.length;\n var listeners = arrayClone(handler, len);\n for (var i = 0; i < len; ++i)\n listeners[i].call(self);\n }\n}\nfunction emitOne(handler, isFn, self, arg1) {\n if (isFn)\n handler.call(self, arg1);\n else {\n var len = handler.length;\n var listeners = arrayClone(handler, len);\n for (var i = 0; i < len; ++i)\n listeners[i].call(self, arg1);\n }\n}\nfunction emitTwo(handler, isFn, self, arg1, arg2) {\n if (isFn)\n handler.call(self, arg1, arg2);\n else {\n var len = handler.length;\n var listeners = arrayClone(handler, len);\n for (var i = 0; i < len; ++i)\n listeners[i].call(self, arg1, arg2);\n }\n}\nfunction emitThree(handler, isFn, self, arg1, arg2, arg3) {\n if (isFn)\n handler.call(self, arg1, arg2, arg3);\n else {\n var len = handler.length;\n var listeners = arrayClone(handler, len);\n for (var i = 0; i < len; ++i)\n listeners[i].call(self, arg1, arg2, arg3);\n }\n}\n\nfunction emitMany(handler, isFn, self, args) {\n if (isFn)\n handler.apply(self, args);\n else {\n var len = handler.length;\n var listeners = arrayClone(handler, len);\n for (var i = 0; i < len; ++i)\n listeners[i].apply(self, args);\n }\n}\n\nEventEmitter.prototype.emit = function emit(type) {\n var er, handler, len, args, i, events, domain;\n var needDomainExit = false;\n var doError = (type === 'error');\n\n events = this._events;\n if (events)\n doError = (doError && events.error == null);\n else if (!doError)\n return false;\n\n domain = this.domain;\n\n // If there is no 'error' event listener then throw.\n if (doError) {\n er = arguments[1];\n if (domain) {\n if (!er)\n er = new Error('Uncaught, unspecified \"error\" event');\n er.domainEmitter = this;\n er.domain = domain;\n er.domainThrown = false;\n domain.emit('error', er);\n } else if (er instanceof Error) {\n throw er; // Unhandled 'error' event\n } else {\n // At least give some kind of context to the user\n var err = new Error('Uncaught, unspecified \"error\" event. (' + er + ')');\n err.context = er;\n throw err;\n }\n return false;\n }\n\n handler = events[type];\n\n if (!handler)\n return false;\n\n var isFn = typeof handler === 'function';\n len = arguments.length;\n switch (len) {\n // fast cases\n case 1:\n emitNone(handler, isFn, this);\n break;\n case 2:\n emitOne(handler, isFn, this, arguments[1]);\n break;\n case 3:\n emitTwo(handler, isFn, this, arguments[1], arguments[2]);\n break;\n case 4:\n emitThree(handler, isFn, this, arguments[1], arguments[2], arguments[3]);\n break;\n // slower\n default:\n args = new Array(len - 1);\n for (i = 1; i < len; i++)\n args[i - 1] = arguments[i];\n emitMany(handler, isFn, this, args);\n }\n\n if (needDomainExit)\n domain.exit();\n\n return true;\n};\n\nfunction _addListener(target, type, listener, prepend) {\n var m;\n var events;\n var existing;\n\n if (typeof listener !== 'function')\n throw new TypeError('\"listener\" argument must be a function');\n\n events = target._events;\n if (!events) {\n events = target._events = new EventHandlers();\n target._eventsCount = 0;\n } else {\n // To avoid recursion in the case that type === \"newListener\"! Before\n // adding it to the listeners, first emit \"newListener\".\n if (events.newListener) {\n target.emit('newListener', type,\n listener.listener ? listener.listener : listener);\n\n // Re-assign `events` because a newListener handler could have caused the\n // this._events to be assigned to a new object\n events = target._events;\n }\n existing = events[type];\n }\n\n if (!existing) {\n // Optimize the case of one listener. Don't need the extra array object.\n existing = events[type] = listener;\n ++target._eventsCount;\n } else {\n if (typeof existing === 'function') {\n // Adding the second element, need to change to array.\n existing = events[type] = prepend ? [listener, existing] :\n [existing, listener];\n } else {\n // If we've already got an array, just append.\n if (prepend) {\n existing.unshift(listener);\n } else {\n existing.push(listener);\n }\n }\n\n // Check for listener leak\n if (!existing.warned) {\n m = $getMaxListeners(target);\n if (m && m > 0 && existing.length > m) {\n existing.warned = true;\n var w = new Error('Possible EventEmitter memory leak detected. ' +\n existing.length + ' ' + type + ' listeners added. ' +\n 'Use emitter.setMaxListeners() to increase limit');\n w.name = 'MaxListenersExceededWarning';\n w.emitter = target;\n w.type = type;\n w.count = existing.length;\n emitWarning(w);\n }\n }\n }\n\n return target;\n}\nfunction emitWarning(e) {\n typeof console.warn === 'function' ? console.warn(e) : console.log(e);\n}\nEventEmitter.prototype.addListener = function addListener(type, listener) {\n return _addListener(this, type, listener, false);\n};\n\nEventEmitter.prototype.on = EventEmitter.prototype.addListener;\n\nEventEmitter.prototype.prependListener =\n function prependListener(type, listener) {\n return _addListener(this, type, listener, true);\n };\n\nfunction _onceWrap(target, type, listener) {\n var fired = false;\n function g() {\n target.removeListener(type, g);\n if (!fired) {\n fired = true;\n listener.apply(target, arguments);\n }\n }\n g.listener = listener;\n return g;\n}\n\nEventEmitter.prototype.once = function once(type, listener) {\n if (typeof listener !== 'function')\n throw new TypeError('\"listener\" argument must be a function');\n this.on(type, _onceWrap(this, type, listener));\n return this;\n};\n\nEventEmitter.prototype.prependOnceListener =\n function prependOnceListener(type, listener) {\n if (typeof listener !== 'function')\n throw new TypeError('\"listener\" argument must be a function');\n this.prependListener(type, _onceWrap(this, type, listener));\n return this;\n };\n\n// emits a 'removeListener' event iff the listener was removed\nEventEmitter.prototype.removeListener =\n function removeListener(type, listener) {\n var list, events, position, i, originalListener;\n\n if (typeof listener !== 'function')\n throw new TypeError('\"listener\" argument must be a function');\n\n events = this._events;\n if (!events)\n return this;\n\n list = events[type];\n if (!list)\n return this;\n\n if (list === listener || (list.listener && list.listener === listener)) {\n if (--this._eventsCount === 0)\n this._events = new EventHandlers();\n else {\n delete events[type];\n if (events.removeListener)\n this.emit('removeListener', type, list.listener || listener);\n }\n } else if (typeof list !== 'function') {\n position = -1;\n\n for (i = list.length; i-- > 0;) {\n if (list[i] === listener ||\n (list[i].listener && list[i].listener === listener)) {\n originalListener = list[i].listener;\n position = i;\n break;\n }\n }\n\n if (position < 0)\n return this;\n\n if (list.length === 1) {\n list[0] = undefined;\n if (--this._eventsCount === 0) {\n this._events = new EventHandlers();\n return this;\n } else {\n delete events[type];\n }\n } else {\n spliceOne(list, position);\n }\n\n if (events.removeListener)\n this.emit('removeListener', type, originalListener || listener);\n }\n\n return this;\n };\n\nEventEmitter.prototype.removeAllListeners =\n function removeAllListeners(type) {\n var listeners, events;\n\n events = this._events;\n if (!events)\n return this;\n\n // not listening for removeListener, no need to emit\n if (!events.removeListener) {\n if (arguments.length === 0) {\n this._events = new EventHandlers();\n this._eventsCount = 0;\n } else if (events[type]) {\n if (--this._eventsCount === 0)\n this._events = new EventHandlers();\n else\n delete events[type];\n }\n return this;\n }\n\n // emit removeListener for all listeners on all events\n if (arguments.length === 0) {\n var keys = Object.keys(events);\n for (var i = 0, key; i < keys.length; ++i) {\n key = keys[i];\n if (key === 'removeListener') continue;\n this.removeAllListeners(key);\n }\n this.removeAllListeners('removeListener');\n this._events = new EventHandlers();\n this._eventsCount = 0;\n return this;\n }\n\n listeners = events[type];\n\n if (typeof listeners === 'function') {\n this.removeListener(type, listeners);\n } else if (listeners) {\n // LIFO order\n do {\n this.removeListener(type, listeners[listeners.length - 1]);\n } while (listeners[0]);\n }\n\n return this;\n };\n\nEventEmitter.prototype.listeners = function listeners(type) {\n var evlistener;\n var ret;\n var events = this._events;\n\n if (!events)\n ret = [];\n else {\n evlistener = events[type];\n if (!evlistener)\n ret = [];\n else if (typeof evlistener === 'function')\n ret = [evlistener.listener || evlistener];\n else\n ret = unwrapListeners(evlistener);\n }\n\n return ret;\n};\n\nEventEmitter.listenerCount = function(emitter, type) {\n if (typeof emitter.listenerCount === 'function') {\n return emitter.listenerCount(type);\n } else {\n return listenerCount.call(emitter, type);\n }\n};\n\nEventEmitter.prototype.listenerCount = listenerCount;\nfunction listenerCount(type) {\n var events = this._events;\n\n if (events) {\n var evlistener = events[type];\n\n if (typeof evlistener === 'function') {\n return 1;\n } else if (evlistener) {\n return evlistener.length;\n }\n }\n\n return 0;\n}\n\nEventEmitter.prototype.eventNames = function eventNames() {\n return this._eventsCount > 0 ? Reflect.ownKeys(this._events) : [];\n};\n\n// About 1.5x faster than the two-arg version of Array#splice().\nfunction spliceOne(list, index) {\n for (var i = index, k = i + 1, n = list.length; k < n; i += 1, k += 1)\n list[i] = list[k];\n list.pop();\n}\n\nfunction arrayClone(arr, i) {\n var copy = new Array(i);\n while (i--)\n copy[i] = arr[i];\n return copy;\n}\n\nfunction unwrapListeners(arr) {\n var ret = new Array(arr.length);\n for (var i = 0; i < ret.length; ++i) {\n ret[i] = arr[i].listener || arr[i];\n }\n return ret;\n}\n","/****************************************************************************\n * Copyright 2021 EPAM Systems\n *\n * Licensed under the Apache License, Version 2.0 (the \"License\");\n * you may not use this file except in compliance with the License.\n * You may obtain a copy of the License at\n *\n * http://www.apache.org/licenses/LICENSE-2.0\n *\n * Unless required by applicable law or agreed to in writing, software\n * distributed under the License is distributed on an \"AS IS\" BASIS,\n * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.\n * See the License for the specific language governing permissions and\n * limitations under the License.\n ***************************************************************************/\n\nimport {\n AromatizeCommandData,\n AutomapCommandData,\n CalculateCipCommandData,\n CalculateCommandData,\n CalculateProps,\n CheckCommandData,\n CleanCommandData,\n Command,\n CommandOptions,\n WorkerEvent,\n ConvertCommandData,\n DearomatizeCommandData,\n GenerateImageCommandData,\n GenerateInchIKeyCommandData,\n InputMessage,\n LayoutCommandData,\n OutputMessage,\n SupportedFormat\n} from './indigoWorker.types'\nimport {\n AromatizeData,\n AromatizeResult,\n AutomapData,\n AutomapResult,\n CalculateCipData,\n CalculateCipResult,\n CalculateData,\n CalculateResult,\n CheckData,\n CheckResult,\n ChemicalMimeType,\n CleanData,\n CleanResult,\n ConvertData,\n ConvertResult,\n DearomatizeData,\n DearomatizeResult,\n GenerateImageOptions,\n InfoResult,\n LayoutData,\n LayoutResult,\n RecognizeResult,\n StructService,\n StructServiceOptions\n} from 'ketcher-core'\n\n// eslint-disable-next-line @typescript-eslint/ban-ts-comment\n// @ts-ignore\nimport IndigoWorker from 'web-worker:./indigoWorker'\nimport EventEmitter from 'events'\n\ninterface KeyValuePair {\n [key: string]: number | string | boolean | object\n}\n\nfunction convertMimeTypeToOutputFormat(\n mimeType: ChemicalMimeType\n): SupportedFormat {\n let format: SupportedFormat\n switch (mimeType) {\n case ChemicalMimeType.Mol: {\n format = SupportedFormat.Mol\n break\n }\n case ChemicalMimeType.Rxn: {\n format = SupportedFormat.Rxn\n break\n }\n case ChemicalMimeType.DaylightSmiles:\n case ChemicalMimeType.ExtendedSmiles: {\n format = SupportedFormat.Smiles\n break\n }\n case ChemicalMimeType.DaylightSmarts: {\n format = SupportedFormat.Smarts\n break\n }\n case ChemicalMimeType.InChI: {\n format = SupportedFormat.InChI\n break\n }\n case ChemicalMimeType.InChIAuxInfo: {\n format = SupportedFormat.InChIAuxInfo\n break\n }\n case ChemicalMimeType.CML: {\n format = SupportedFormat.CML\n break\n }\n case ChemicalMimeType.KET: {\n format = SupportedFormat.Ket\n break\n }\n case ChemicalMimeType.CDXML: {\n format = SupportedFormat.CDXML\n break\n }\n case ChemicalMimeType.CDX: {\n format = SupportedFormat.CDX\n break\n }\n case ChemicalMimeType.UNKNOWN:\n default: {\n throw new Error('Unsupported chemical mime type')\n }\n }\n\n return format\n}\n\nfunction mapCalculatedPropertyName(property: CalculateProps) {\n let mappedProperty: CalculateProps | undefined\n switch (property) {\n case 'gross-formula': {\n mappedProperty = 'gross'\n break\n }\n default:\n mappedProperty = property\n break\n }\n\n return mappedProperty\n}\n\nfunction mapWarningGroup(property: string) {\n let mappedProperty: string | undefined\n switch (property) {\n case 'OVERLAP_BOND': {\n mappedProperty = 'overlapping_bonds'\n break\n }\n default:\n mappedProperty = property.toLowerCase()\n break\n }\n\n return mappedProperty\n}\n\nconst messageTypeToEventMapping: {\n [key in Command]: WorkerEvent\n} = {\n [Command.Info]: WorkerEvent.Info,\n [Command.Convert]: WorkerEvent.Convert,\n [Command.Layout]: WorkerEvent.Layout,\n [Command.Clean]: WorkerEvent.Clean,\n [Command.Aromatize]: WorkerEvent.Aromatize,\n [Command.Dearomatize]: WorkerEvent.Dearomatize,\n [Command.CalculateCip]: WorkerEvent.CalculateCip,\n [Command.Automap]: WorkerEvent.Automap,\n [Command.Check]: WorkerEvent.Check,\n [Command.Calculate]: WorkerEvent.Calculate,\n [Command.GenerateImageAsBase64]: WorkerEvent.GenerateImageAsBase64,\n [Command.GenerateInchIKey]: WorkerEvent.GenerateInchIKey\n}\n\nclass IndigoService implements StructService {\n private readonly defaultOptions: StructServiceOptions\n private readonly worker: IndigoWorker\n private readonly EE: EventEmitter = new EventEmitter()\n\n constructor(defaultOptions: StructServiceOptions) {\n this.defaultOptions = defaultOptions\n this.worker = new IndigoWorker()\n this.worker.onmessage = (e: MessageEvent<OutputMessage<string>>) => {\n const message: OutputMessage<string> = e.data\n if (message.type !== undefined) {\n const event = messageTypeToEventMapping[message.type]\n this.EE.emit(event, { data: message })\n }\n }\n }\n\n async generateInchIKey(struct: string): Promise<string> {\n return new Promise((resolve, reject) => {\n const action = ({ data }) => {\n const msg: OutputMessage<string> = data\n if (!msg.hasError) {\n resolve(msg.payload || '')\n } else {\n reject(msg.error)\n }\n }\n\n const inputMessage: InputMessage<GenerateInchIKeyCommandData> = {\n type: Command.GenerateInchIKey,\n data: { struct }\n }\n\n this.EE.removeListener(WorkerEvent.GenerateInchIKey, action)\n this.EE.addListener(WorkerEvent.GenerateInchIKey, action)\n\n this.worker.postMessage(inputMessage)\n })\n }\n\n info(): Promise<InfoResult> {\n return new Promise((resolve, reject) => {\n const action = ({ data }) => {\n console.log('info action', data)\n const msg: OutputMessage<string> = data\n if (!msg.hasError) {\n const result: InfoResult = {\n // eslint-disable-next-line @typescript-eslint/no-non-null-assertion\n indigoVersion: msg.payload!,\n imagoVersions: [],\n isAvailable: true\n }\n resolve(result)\n } else {\n reject(msg.error)\n }\n }\n\n this.EE.removeListener(WorkerEvent.Info, action)\n this.EE.addListener(WorkerEvent.Info, action)\n\n this.worker.postMessage({ type: Command.Info })\n })\n }\n\n convert(\n data: ConvertData,\n options?: StructServiceOptions\n ): Promise<ConvertResult> {\n const { output_format, struct } = data\n const format = convertMimeTypeToOutputFormat(output_format)\n\n return new Promise((resolve, reject) => {\n const action = ({ data }) => {\n console.log('convert action', data)\n const msg: OutputMessage<string> = data\n if (!msg.hasError) {\n const result: ConvertResult = {\n struct: msg.payload!,\n format: output_format\n }\n resolve(result)\n } else {\n reject(msg.error)\n }\n }\n\n const commandOptions: CommandOptions = {\n ...this.defaultOptions,\n ...options\n }\n\n const commandData: ConvertCommandData = {\n struct,\n format,\n options: commandOptions\n }\n\n const inputMessage: InputMessage<ConvertCommandData> = {\n type: Command.Convert,\n data: commandData\n }\n\n this.EE.removeListener(WorkerEvent.Convert, action)\n this.EE.addListener(WorkerEvent.Convert, action)\n\n this.worker.postMessage(inputMessage)\n })\n }\n\n layout(\n data: LayoutData,\n options?: StructServiceOptions\n ): Promise<LayoutResult> {\n const { struct, output_format } = data\n const format = convertMimeTypeToOutputFormat(output_format)\n\n return new Promise((resolve, reject) => {\n const action = ({ data }) => {\n console.log('layout action', data)\n const msg: OutputMessage<string> = data\n if (!msg.hasError) {\n const result: LayoutResult = {\n struct: msg.payload!,\n format: ChemicalMimeType.Mol\n }\n resolve(result)\n } else {\n reject(msg.error)\n }\n }\n\n const commandOptions: CommandOptions = {\n ...this.defaultOptions,\n ...options\n }\n\n const commandData: LayoutCommandData = {\n struct,\n format,\n options: commandOptions\n }\n\n const inputMessage: InputMessage<LayoutCommandData> = {\n type: Command.Layout,\n data: commandData\n }\n\n this.EE.removeListener(WorkerEvent.Layout, action)\n this.EE.addListener(WorkerEvent.Layout, action)\n\n this.worker.postMessage(inputMessage)\n })\n }\n\n clean(data: CleanData, options?: StructServiceOptions): Promise<CleanResult> {\n const { struct, selected, output_format } = data\n const format = convertMimeTypeToOutputFormat(output_format)\n\n return new Promise((resolve, reject) => {\n const action = ({ data }) => {\n const msg: OutputMessage<string> = data\n if (!msg.hasError) {\n const result: CleanResult = {\n struct: msg.payload!,\n format: ChemicalMimeType.Mol\n }\n resolve(result)\n } else {\n reject(msg.error)\n }\n }\n\n const commandOptions: CommandOptions = {\n ...this.defaultOptions,\n ...options\n }\n\n const commandData: CleanCommandData = {\n struct,\n format,\n options: commandOptions,\n selectedAtoms: selected || []\n }\n\n const inputMessage: InputMessage<CleanCommandData> = {\n type: Command.Clean,\n data: commandData\n }\n\n this.EE.removeListener(WorkerEvent.Clean, action)\n this.EE.addListener(WorkerEvent.Clean, action)\n\n this.worker.postMessage(inputMessage)\n })\n }\n\n aromatize(\n data: AromatizeData,\n options?: StructServiceOptions\n ): Promise<AromatizeResult> {\n const { struct, output_format } = data\n const format = convertMimeTypeToOutputFormat(output_format)\n\n return new Promise((resolve, reject) => {\n const action = ({ data }) => {\n const msg: OutputMessage<string> = data\n if (!msg.hasError) {\n const result: AromatizeResult = {\n struct: msg.payload!,\n format: ChemicalMimeType.Mol\n }\n resolve(result)\n } else {\n reject(msg.error)\n }\n }\n\n const commandOptions: CommandOptions = {\n ...this.defaultOptions,\n ...options\n }\n\n const commandData: AromatizeCommandData = {\n struct,\n format,\n options: commandOptions\n }\n\n const inputMessage: InputMessage<AromatizeCommandData> = {\n type: Command.Aromatize,\n data: commandData\n }\n\n this.EE.removeListener(WorkerEvent.Aromatize, action)\n this.EE.addListener(WorkerEvent.Aromatize, action)\n\n this.worker.postMessage(inputMessage)\n })\n }\n\n dearomatize(\n data: DearomatizeData,\n options?: StructServiceOptions\n ): Promise<DearomatizeResult> {\n const { struct, output_format } = data\n const format = convertMimeTypeToOutputFormat(output_format)\n\n return new Promise((resolve, reject) => {\n const action = ({ data }) => {\n const msg: OutputMessage<string> = data\n if (!msg.hasError) {\n const result: AromatizeResult = {\n struct: msg.payload!,\n format: ChemicalMimeType.Mol\n }\n resolve(result)\n } else {\n reject(msg.error)\n }\n }\n\n const commandOptions: CommandOptions = {\n ...this.defaultOptions,\n ...options\n }\n\n const commandData: DearomatizeCommandData = {\n struct,\n format,\n options: commandOptions\n }\n\n const inputMessage: InputMessage<DearomatizeCommandData> = {\n type: Command.Dearomatize,\n data: commandData\n }\n\n this.EE.removeListener(WorkerEvent.Dearomatize, action)\n this.EE.addListener(WorkerEvent.Dearomatize, action)\n\n this.worker.postMessage(inputMessage)\n })\n }\n\n calculateCip(\n data: CalculateCipData,\n options?: StructServiceOptions\n ): Promise<CalculateCipResult> {\n const { struct, output_format } = data\n const format = convertMimeTypeToOutputFormat(output_format)\n\n return new Promise((resolve, reject) => {\n const action = ({ data }) => {\n const msg: OutputMessage<string> = data\n if (!msg.hasError) {\n const result: CalculateCipResult = {\n struct: msg.payload!,\n format: ChemicalMimeType.Mol\n }\n resolve(result)\n } else {\n reject(msg.error)\n }\n }\n\n const commandOptions: CommandOptions = {\n ...this.defaultOptions,\n ...options\n }\n\n const commandData: CalculateCipCommandData = {\n struct,\n format,\n options: commandOptions\n }\n\n const inputMessage: InputMessage<CalculateCipCommandData> = {\n type: Command.CalculateCip,\n data: commandData\n }\n\n this.EE.removeListener(WorkerEvent.CalculateCip, action)\n this.EE.addListener(WorkerEvent.CalculateCip, action)\n\n this.worker.postMessage(inputMessage)\n })\n }\n\n automap(\n data: AutomapData,\n options?: StructServiceOptions\n ): Promise<AutomapResult> {\n const { mode, struct, output_format } = data\n const format = convertMimeTypeToOutputFormat(output_format)\n\n return new Promise((resolve, reject) => {\n const action = ({ data }) => {\n const msg: OutputMessage<string> = data\n if (!msg.hasError) {\n const result: AutomapResult = {\n struct: msg.payload!,\n format: ChemicalMimeType.Mol\n }\n resolve(result)\n } else {\n reject(msg.error)\n }\n }\n\n const commandOptions: CommandOptions = {\n ...this.defaultOptions,\n ...options\n }\n\n const commandData: AutomapCommandData = {\n struct,\n format,\n mode,\n options: commandOptions\n }\n\n const inputMessage: InputMessage<CalculateCipCommandData> = {\n type: Command.Automap,\n data: commandData\n }\n\n this.EE.removeListener(WorkerEvent.Automap, action)\n this.EE.addListener(WorkerEvent.Automap, action)\n\n this.worker.postMessage(inputMessage)\n })\n }\n\n check(data: CheckData, options?: StructServiceOptions): Promise<CheckResult> {\n const { types, struct } = data\n\n return new Promise((resolve, reject) => {\n const action = ({ data }) => {\n const msg: OutputMessage<string> = data\n if (!msg.hasError) {\n const warnings = JSON.parse(msg.payload!) as KeyValuePair\n\n const result: CheckResult = Object.entries(warnings).reduce(\n (acc, curr) => {\n const [key, value] = curr\n const mappedPropertyName = mapWarningGroup(key)\n acc[mappedPropertyName] = value\n\n return acc\n },\n {}\n )\n resolve(result)\n } else {\n reject(msg.error)\n }\n }\n\n const commandOptions: CommandOptions = {\n ...this.defaultOptions,\n ...options\n }\n\n const commandData: CheckCommandData = {\n struct,\n types,\n options: commandOptions\n }\n\n const inputMessage: InputMessage<CheckCommandData> = {\n type: Command.Check,\n data: commandData\n }\n\n this.EE.removeListener(WorkerEvent.Check, action)\n this.EE.addListener(WorkerEvent.Check, action)\n\n this.worker.postMessage(inputMessage)\n })\n }\n\n calculate(\n data: CalculateData,\n options?: StructServiceOptions\n ): Promise<CalculateResult> {\n const { properties, struct, selected } = data\n return new Promise((resolve, reject) => {\n const action = ({ data }) => {\n const msg: OutputMessage<string> = data\n if (!msg.hasError) {\n const calculatedProperties: CalculateResult = JSON.parse(msg.payload!)\n const result: CalculateResult = Object.entries(\n calculatedProperties\n ).reduce((acc, curr) => {\n const [key, value] = curr\n const mappedPropertyName = mapCalculatedPropertyName(\n key as CalculateProps\n )\n if (properties.includes(mappedPropertyName)) {\n acc[mappedPropertyName] = value\n }\n\n return acc\n }, {} as CalculateResult)\n resolve(result)\n } else {\n reject(msg.error)\n }\n }\n\n const commandOptions: CommandOptions = {\n ...this.defaultOptions,\n ...options\n }\n\n const commandData: CalculateCommandData = {\n struct,\n properties,\n options: commandOptions,\n selectedAtoms: selected || []\n }\n\n const inputMessage: InputMessage<CalculateCommandData> = {\n type: Command.Calculate,\n data: commandData\n }\n\n this.EE.removeListener(WorkerEvent.Calculate, action)\n this.EE.addListener(WorkerEvent.Calculate, action)\n\n this.worker.postMessage(inputMessage)\n })\n }\n\n recognize(_blob: Blob, _version: string): Promise<RecognizeResult> {\n return Promise.reject(new Error('Not supported in standalone mode'))\n }\n\n generateImageAsBase64(\n data: string,\n options: GenerateImageOptions = { outputFormat: 'png', backgroundColor: '' }\n ): Promise<string> {\n const { outputFormat, backgroundColor, ...restOptions } = options\n return new Promise((resolve, reject) => {\n const action = ({ data }) => {\n const msg: OutputMessage<string> = data\n if (!msg.hasError) {\n resolve(msg.payload!)\n } else {\n reject(msg.error)\n }\n }\n\n const commandOptions: CommandOptions = {\n ...this.defaultOptions,\n ...restOptions\n }\n\n const commandData: GenerateImageCommandData = {\n struct: data,\n outputFormat: outputFormat || 'png',\n backgroundColor: backgroundColor,\n options: commandOptions\n }\n\n const inputMessage: InputMessage<GenerateImageCommandData> = {\n type: Command.GenerateImageAsBase64,\n data: commandData\n }\n\n this.EE.removeListener(WorkerEvent.GenerateImageAsBase64, action)\n this.EE.addListener(WorkerEvent.GenerateImageAsBase64, action)\n\n this.worker.postMessage(inputMessage)\n })\n }\n}\n\nexport default IndigoService\n","/****************************************************************************\n * Copyright 2021 EPAM Systems\n *\n * Licensed under the Apache License, Version 2.0 (the \"License\");\n * you may not use this file except in compliance with the License.\n * You may obtain a copy of the License at\n *\n * http://www.apache.org/licenses/LICENSE-2.0\n *\n * Unless required by applicable law or agreed to in writing, software\n * distributed under the License is distributed on an \"AS IS\" BASIS,\n * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.\n * See the License for the specific language governing permissions and\n * limitations under the License.\n ***************************************************************************/\n\nimport {\n ServiceMode,\n StructService,\n StructServiceOptions,\n StructServiceProvider\n} from 'ketcher-core'\n\nimport StandaloneStructService from './standaloneStructService'\n\nclass StandaloneStructServiceProvider implements StructServiceProvider {\n mode: ServiceMode = 'standalone'\n\n createStructService(options: StructServiceOptions): StructService {\n return new StandaloneStructService(options)\n }\n}\nexport default 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+ {"version":3,"file":"index.modern.js","sources":["../src/infrastructure/services/struct/indigoWorker.types.ts","../../../node_modules/rollup-plugin-node-polyfills/polyfills/events.js","../src/infrastructure/services/struct/standaloneStructService.ts","../src/infrastructure/services/struct/standaloneStructServiceProvider.ts"],"sourcesContent":["/****************************************************************************\n * Copyright 2021 EPAM Systems\n *\n * Licensed under the Apache License, Version 2.0 (the \"License\");\n * you may not use this file except in compliance with the License.\n * You may obtain a copy of the License at\n *\n * http://www.apache.org/licenses/LICENSE-2.0\n *\n * Unless required by applicable law or agreed to in writing, software\n * distributed under the License is distributed on an \"AS IS\" BASIS,\n * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.\n * See the License for the specific language governing permissions and\n * limitations under the License.\n ***************************************************************************/\n\nexport const enum Command {\n Info,\n Convert,\n Layout,\n Clean,\n Aromatize,\n Dearomatize,\n CalculateCip,\n Automap,\n Check,\n Calculate,\n GenerateImageAsBase64,\n GenerateInchIKey\n}\n\nexport const enum WorkerEvent {\n Info = 'info',\n Convert = 'convert',\n Layout = 'layout',\n Clean = 'clean',\n Aromatize = 'aromatize',\n Dearomatize = 'dearomatize',\n CalculateCip = 'calculateCip',\n Automap = 'automap',\n Check = 'check',\n Calculate = 'calculate',\n GenerateImageAsBase64 = 'generateImageAsBase64',\n GenerateInchIKey = 'generateInchIKey'\n}\n\nexport enum SupportedFormat {\n Rxn = 'rxnfile',\n Mol = 'molfile',\n Smiles = 'smiles',\n Smarts = 'smarts',\n CML = 'cml',\n InChI = 'inchi',\n InChIAuxInfo = 'inchi-aux',\n Ket = 'ket',\n CDX = 'cdx',\n CDXML = 'cdxml'\n}\n\nexport interface WithStruct {\n struct: string\n}\n\nexport interface WithFormat {\n format: SupportedFormat\n}\n\nexport interface WithSelection {\n selectedAtoms: Array<number>\n}\n\nexport interface CommandOptions {\n [key: string]: string | number | boolean | undefined\n}\n\nexport interface CommandData {\n options?: CommandOptions\n}\n\nexport interface CheckCommandData extends CommandData, WithStruct {\n types: Array<string>\n}\n\nexport interface ConvertCommandData\n extends CommandData,\n WithStruct,\n WithFormat {}\n\nexport interface GenerateInchIKeyCommandData extends CommandData, WithStruct {}\n\nexport interface GenerateImageCommandData extends CommandData, WithStruct {\n outputFormat: 'png' | 'svg'\n backgroundColor?: string\n}\n\nexport interface LayoutCommandData\n extends CommandData,\n WithStruct,\n WithFormat {}\n\nexport interface CleanCommandData\n extends CommandData,\n WithStruct,\n WithSelection,\n WithFormat {}\n\nexport interface AromatizeCommandData\n extends CommandData,\n WithStruct,\n WithFormat {}\n\nexport interface DearomatizeCommandData\n extends CommandData,\n WithStruct,\n WithFormat {}\n\nexport interface CalculateCipCommandData\n extends CommandData,\n WithStruct,\n WithFormat {}\n\nexport type CalculateProps =\n | 'molecular-weight'\n | 'most-abundant-mass'\n | 'monoisotopic-mass'\n | 'gross'\n | 'gross-formula'\n | 'mass-composition'\n\nexport interface CalculateCommandData\n extends CommandData,\n WithStruct,\n WithSelection {\n properties: Array<string>\n}\n\nexport interface AutomapCommandData\n extends CommandData,\n WithStruct,\n WithFormat {\n mode: string\n}\n\nexport interface OutputMessage<T> {\n type?: Command\n hasError?: boolean\n payload?: T\n error?: string\n}\nexport interface InputMessage<T> {\n type: Command\n data: T\n}\n","'use strict';\n\nvar domain;\n\n// This constructor is used to store event handlers. Instantiating this is\n// faster than explicitly calling `Object.create(null)` to get a \"clean\" empty\n// object (tested with v8 v4.9).\nfunction EventHandlers() {}\nEventHandlers.prototype = Object.create(null);\n\nfunction EventEmitter() {\n EventEmitter.init.call(this);\n}\nexport default EventEmitter;\nexport {EventEmitter};\n\n// nodejs oddity\n// require('events') === require('events').EventEmitter\nEventEmitter.EventEmitter = EventEmitter\n\nEventEmitter.usingDomains = false;\n\nEventEmitter.prototype.domain = undefined;\nEventEmitter.prototype._events = undefined;\nEventEmitter.prototype._maxListeners = undefined;\n\n// By default EventEmitters will print a warning if more than 10 listeners are\n// added to it. This is a useful default which helps finding memory leaks.\nEventEmitter.defaultMaxListeners = 10;\n\nEventEmitter.init = function() {\n this.domain = null;\n if (EventEmitter.usingDomains) {\n // if there is an active domain, then attach to it.\n if (domain.active && !(this instanceof domain.Domain)) {\n this.domain = domain.active;\n }\n }\n\n if (!this._events || this._events === Object.getPrototypeOf(this)._events) {\n this._events = new EventHandlers();\n this._eventsCount = 0;\n }\n\n this._maxListeners = this._maxListeners || undefined;\n};\n\n// Obviously not all Emitters should be limited to 10. This function allows\n// that to be increased. Set to zero for unlimited.\nEventEmitter.prototype.setMaxListeners = function setMaxListeners(n) {\n if (typeof n !== 'number' || n < 0 || isNaN(n))\n throw new TypeError('\"n\" argument must be a positive number');\n this._maxListeners = n;\n return this;\n};\n\nfunction $getMaxListeners(that) {\n if (that._maxListeners === undefined)\n return EventEmitter.defaultMaxListeners;\n return that._maxListeners;\n}\n\nEventEmitter.prototype.getMaxListeners = function getMaxListeners() {\n return $getMaxListeners(this);\n};\n\n// These standalone emit* functions are used to optimize calling of event\n// handlers for fast cases because emit() itself often has a variable number of\n// arguments and can be deoptimized because of that. These functions always have\n// the same number of arguments and thus do not get deoptimized, so the code\n// inside them can execute faster.\nfunction emitNone(handler, isFn, self) {\n if (isFn)\n handler.call(self);\n else {\n var len = handler.length;\n var listeners = arrayClone(handler, len);\n for (var i = 0; i < len; ++i)\n listeners[i].call(self);\n }\n}\nfunction emitOne(handler, isFn, self, arg1) {\n if (isFn)\n handler.call(self, arg1);\n else {\n var len = handler.length;\n var listeners = arrayClone(handler, len);\n for (var i = 0; i < len; ++i)\n listeners[i].call(self, arg1);\n }\n}\nfunction emitTwo(handler, isFn, self, arg1, arg2) {\n if (isFn)\n handler.call(self, arg1, arg2);\n else {\n var len = handler.length;\n var listeners = arrayClone(handler, len);\n for (var i = 0; i < len; ++i)\n listeners[i].call(self, arg1, arg2);\n }\n}\nfunction emitThree(handler, isFn, self, arg1, arg2, arg3) {\n if (isFn)\n handler.call(self, arg1, arg2, arg3);\n else {\n var len = handler.length;\n var listeners = arrayClone(handler, len);\n for (var i = 0; i < len; ++i)\n listeners[i].call(self, arg1, arg2, arg3);\n }\n}\n\nfunction emitMany(handler, isFn, self, args) {\n if (isFn)\n handler.apply(self, args);\n else {\n var len = handler.length;\n var listeners = arrayClone(handler, len);\n for (var i = 0; i < len; ++i)\n listeners[i].apply(self, args);\n }\n}\n\nEventEmitter.prototype.emit = function emit(type) {\n var er, handler, len, args, i, events, domain;\n var needDomainExit = false;\n var doError = (type === 'error');\n\n events = this._events;\n if (events)\n doError = (doError && events.error == null);\n else if (!doError)\n return false;\n\n domain = this.domain;\n\n // If there is no 'error' event listener then throw.\n if (doError) {\n er = arguments[1];\n if (domain) {\n if (!er)\n er = new Error('Uncaught, unspecified \"error\" event');\n er.domainEmitter = this;\n er.domain = domain;\n er.domainThrown = false;\n domain.emit('error', er);\n } else if (er instanceof Error) {\n throw er; // Unhandled 'error' event\n } else {\n // At least give some kind of context to the user\n var err = new Error('Uncaught, unspecified \"error\" event. (' + er + ')');\n err.context = er;\n throw err;\n }\n return false;\n }\n\n handler = events[type];\n\n if (!handler)\n return false;\n\n var isFn = typeof handler === 'function';\n len = arguments.length;\n switch (len) {\n // fast cases\n case 1:\n emitNone(handler, isFn, this);\n break;\n case 2:\n emitOne(handler, isFn, this, arguments[1]);\n break;\n case 3:\n emitTwo(handler, isFn, this, arguments[1], arguments[2]);\n break;\n case 4:\n emitThree(handler, isFn, this, arguments[1], arguments[2], arguments[3]);\n break;\n // slower\n default:\n args = new Array(len - 1);\n for (i = 1; i < len; i++)\n args[i - 1] = arguments[i];\n emitMany(handler, isFn, this, args);\n }\n\n if (needDomainExit)\n domain.exit();\n\n return true;\n};\n\nfunction _addListener(target, type, listener, prepend) {\n var m;\n var events;\n var existing;\n\n if (typeof listener !== 'function')\n throw new TypeError('\"listener\" argument must be a function');\n\n events = target._events;\n if (!events) {\n events = target._events = new EventHandlers();\n target._eventsCount = 0;\n } else {\n // To avoid recursion in the case that type === \"newListener\"! Before\n // adding it to the listeners, first emit \"newListener\".\n if (events.newListener) {\n target.emit('newListener', type,\n listener.listener ? listener.listener : listener);\n\n // Re-assign `events` because a newListener handler could have caused the\n // this._events to be assigned to a new object\n events = target._events;\n }\n existing = events[type];\n }\n\n if (!existing) {\n // Optimize the case of one listener. Don't need the extra array object.\n existing = events[type] = listener;\n ++target._eventsCount;\n } else {\n if (typeof existing === 'function') {\n // Adding the second element, need to change to array.\n existing = events[type] = prepend ? [listener, existing] :\n [existing, listener];\n } else {\n // If we've already got an array, just append.\n if (prepend) {\n existing.unshift(listener);\n } else {\n existing.push(listener);\n }\n }\n\n // Check for listener leak\n if (!existing.warned) {\n m = $getMaxListeners(target);\n if (m && m > 0 && existing.length > m) {\n existing.warned = true;\n var w = new Error('Possible EventEmitter memory leak detected. ' +\n existing.length + ' ' + type + ' listeners added. ' +\n 'Use emitter.setMaxListeners() to increase limit');\n w.name = 'MaxListenersExceededWarning';\n w.emitter = target;\n w.type = type;\n w.count = existing.length;\n emitWarning(w);\n }\n }\n }\n\n return target;\n}\nfunction emitWarning(e) {\n typeof console.warn === 'function' ? console.warn(e) : console.log(e);\n}\nEventEmitter.prototype.addListener = function addListener(type, listener) {\n return _addListener(this, type, listener, false);\n};\n\nEventEmitter.prototype.on = EventEmitter.prototype.addListener;\n\nEventEmitter.prototype.prependListener =\n function prependListener(type, listener) {\n return _addListener(this, type, listener, true);\n };\n\nfunction _onceWrap(target, type, listener) {\n var fired = false;\n function g() {\n target.removeListener(type, g);\n if (!fired) {\n fired = true;\n listener.apply(target, arguments);\n }\n }\n g.listener = listener;\n return g;\n}\n\nEventEmitter.prototype.once = function once(type, listener) {\n if (typeof listener !== 'function')\n throw new TypeError('\"listener\" argument must be a function');\n this.on(type, _onceWrap(this, type, listener));\n return this;\n};\n\nEventEmitter.prototype.prependOnceListener =\n function prependOnceListener(type, listener) {\n if (typeof listener !== 'function')\n throw new TypeError('\"listener\" argument must be a function');\n this.prependListener(type, _onceWrap(this, type, listener));\n return this;\n };\n\n// emits a 'removeListener' event iff the listener was removed\nEventEmitter.prototype.removeListener =\n function removeListener(type, listener) {\n var list, events, position, i, originalListener;\n\n if (typeof listener !== 'function')\n throw new TypeError('\"listener\" argument must be a function');\n\n events = this._events;\n if (!events)\n return this;\n\n list = events[type];\n if (!list)\n return this;\n\n if (list === listener || (list.listener && list.listener === listener)) {\n if (--this._eventsCount === 0)\n this._events = new EventHandlers();\n else {\n delete events[type];\n if (events.removeListener)\n this.emit('removeListener', type, list.listener || listener);\n }\n } else if (typeof list !== 'function') {\n position = -1;\n\n for (i = list.length; i-- > 0;) {\n if (list[i] === listener ||\n (list[i].listener && list[i].listener === listener)) {\n originalListener = list[i].listener;\n position = i;\n break;\n }\n }\n\n if (position < 0)\n return this;\n\n if (list.length === 1) {\n list[0] = undefined;\n if (--this._eventsCount === 0) {\n this._events = new EventHandlers();\n return this;\n } else {\n delete events[type];\n }\n } else {\n spliceOne(list, position);\n }\n\n if (events.removeListener)\n this.emit('removeListener', type, originalListener || listener);\n }\n\n return this;\n };\n\nEventEmitter.prototype.removeAllListeners =\n function removeAllListeners(type) {\n var listeners, events;\n\n events = this._events;\n if (!events)\n return this;\n\n // not listening for removeListener, no need to emit\n if (!events.removeListener) {\n if (arguments.length === 0) {\n this._events = new EventHandlers();\n this._eventsCount = 0;\n } else if (events[type]) {\n if (--this._eventsCount === 0)\n this._events = new EventHandlers();\n else\n delete events[type];\n }\n return this;\n }\n\n // emit removeListener for all listeners on all events\n if (arguments.length === 0) {\n var keys = Object.keys(events);\n for (var i = 0, key; i < keys.length; ++i) {\n key = keys[i];\n if (key === 'removeListener') continue;\n this.removeAllListeners(key);\n }\n this.removeAllListeners('removeListener');\n this._events = new EventHandlers();\n this._eventsCount = 0;\n return this;\n }\n\n listeners = events[type];\n\n if (typeof listeners === 'function') {\n this.removeListener(type, listeners);\n } else if (listeners) {\n // LIFO order\n do {\n this.removeListener(type, listeners[listeners.length - 1]);\n } while (listeners[0]);\n }\n\n return this;\n };\n\nEventEmitter.prototype.listeners = function listeners(type) {\n var evlistener;\n var ret;\n var events = this._events;\n\n if (!events)\n ret = [];\n else {\n evlistener = events[type];\n if (!evlistener)\n ret = [];\n else if (typeof evlistener === 'function')\n ret = [evlistener.listener || evlistener];\n else\n ret = unwrapListeners(evlistener);\n }\n\n return ret;\n};\n\nEventEmitter.listenerCount = function(emitter, type) {\n if (typeof emitter.listenerCount === 'function') {\n return emitter.listenerCount(type);\n } else {\n return listenerCount.call(emitter, type);\n }\n};\n\nEventEmitter.prototype.listenerCount = listenerCount;\nfunction listenerCount(type) {\n var events = this._events;\n\n if (events) {\n var evlistener = events[type];\n\n if (typeof evlistener === 'function') {\n return 1;\n } else if (evlistener) {\n return evlistener.length;\n }\n }\n\n return 0;\n}\n\nEventEmitter.prototype.eventNames = function eventNames() {\n return this._eventsCount > 0 ? Reflect.ownKeys(this._events) : [];\n};\n\n// About 1.5x faster than the two-arg version of Array#splice().\nfunction spliceOne(list, index) {\n for (var i = index, k = i + 1, n = list.length; k < n; i += 1, k += 1)\n list[i] = list[k];\n list.pop();\n}\n\nfunction arrayClone(arr, i) {\n var copy = new Array(i);\n while (i--)\n copy[i] = arr[i];\n return copy;\n}\n\nfunction unwrapListeners(arr) {\n var ret = new Array(arr.length);\n for (var i = 0; i < ret.length; ++i) {\n ret[i] = arr[i].listener || arr[i];\n }\n return ret;\n}\n","/****************************************************************************\n * Copyright 2021 EPAM Systems\n *\n * Licensed under the Apache License, Version 2.0 (the \"License\");\n * you may not use this file except in compliance with the License.\n * You may obtain a copy of the License at\n *\n * http://www.apache.org/licenses/LICENSE-2.0\n *\n * Unless required by applicable law or agreed to in writing, software\n * distributed under the License is distributed on an \"AS IS\" BASIS,\n * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.\n * See the License for the specific language governing permissions and\n * limitations under the License.\n ***************************************************************************/\n\nimport {\n AromatizeCommandData,\n AutomapCommandData,\n CalculateCipCommandData,\n CalculateCommandData,\n CalculateProps,\n CheckCommandData,\n CleanCommandData,\n Command,\n CommandOptions,\n WorkerEvent,\n ConvertCommandData,\n DearomatizeCommandData,\n GenerateImageCommandData,\n GenerateInchIKeyCommandData,\n InputMessage,\n LayoutCommandData,\n OutputMessage,\n SupportedFormat\n} from './indigoWorker.types'\nimport {\n AromatizeData,\n AromatizeResult,\n AutomapData,\n AutomapResult,\n CalculateCipData,\n CalculateCipResult,\n CalculateData,\n CalculateResult,\n CheckData,\n CheckResult,\n ChemicalMimeType,\n CleanData,\n CleanResult,\n ConvertData,\n ConvertResult,\n DearomatizeData,\n DearomatizeResult,\n GenerateImageOptions,\n InfoResult,\n LayoutData,\n LayoutResult,\n RecognizeResult,\n StructService,\n StructServiceOptions\n} from 'ketcher-core'\n\n// eslint-disable-next-line @typescript-eslint/ban-ts-comment\n// @ts-ignore\nimport IndigoWorker from 'web-worker:./indigoWorker'\nimport EventEmitter from 'events'\n\ninterface KeyValuePair {\n [key: string]: number | string | boolean | object\n}\n\nfunction convertMimeTypeToOutputFormat(\n mimeType: ChemicalMimeType\n): SupportedFormat {\n let format: SupportedFormat\n switch (mimeType) {\n case ChemicalMimeType.Mol: {\n format = SupportedFormat.Mol\n break\n }\n case ChemicalMimeType.Rxn: {\n format = SupportedFormat.Rxn\n break\n }\n case ChemicalMimeType.DaylightSmiles:\n case ChemicalMimeType.ExtendedSmiles: {\n format = SupportedFormat.Smiles\n break\n }\n case ChemicalMimeType.DaylightSmarts: {\n format = SupportedFormat.Smarts\n break\n }\n case ChemicalMimeType.InChI: {\n format = SupportedFormat.InChI\n break\n }\n case ChemicalMimeType.InChIAuxInfo: {\n format = SupportedFormat.InChIAuxInfo\n break\n }\n case ChemicalMimeType.CML: {\n format = SupportedFormat.CML\n break\n }\n case ChemicalMimeType.KET: {\n format = SupportedFormat.Ket\n break\n }\n case ChemicalMimeType.CDXML: {\n format = SupportedFormat.CDXML\n break\n }\n case ChemicalMimeType.CDX: {\n format = SupportedFormat.CDX\n break\n }\n case ChemicalMimeType.UNKNOWN:\n default: {\n throw new Error('Unsupported chemical mime type')\n }\n }\n\n return format\n}\n\nfunction mapCalculatedPropertyName(property: CalculateProps) {\n let mappedProperty: CalculateProps | undefined\n switch (property) {\n case 'gross-formula': {\n mappedProperty = 'gross'\n break\n }\n default:\n mappedProperty = property\n break\n }\n\n return mappedProperty\n}\n\nfunction mapWarningGroup(property: string) {\n let mappedProperty: string | undefined\n switch (property) {\n case 'OVERLAP_BOND': {\n mappedProperty = 'overlapping_bonds'\n break\n }\n default:\n mappedProperty = property.toLowerCase()\n break\n }\n\n return mappedProperty\n}\n\nconst messageTypeToEventMapping: {\n [key in Command]: WorkerEvent\n} = {\n [Command.Info]: WorkerEvent.Info,\n [Command.Convert]: WorkerEvent.Convert,\n [Command.Layout]: WorkerEvent.Layout,\n [Command.Clean]: WorkerEvent.Clean,\n [Command.Aromatize]: WorkerEvent.Aromatize,\n [Command.Dearomatize]: WorkerEvent.Dearomatize,\n [Command.CalculateCip]: WorkerEvent.CalculateCip,\n [Command.Automap]: WorkerEvent.Automap,\n [Command.Check]: WorkerEvent.Check,\n [Command.Calculate]: WorkerEvent.Calculate,\n [Command.GenerateImageAsBase64]: WorkerEvent.GenerateImageAsBase64,\n [Command.GenerateInchIKey]: WorkerEvent.GenerateInchIKey\n}\n\nclass IndigoService implements StructService {\n private readonly defaultOptions: StructServiceOptions\n private readonly worker: IndigoWorker\n private readonly EE: EventEmitter = new EventEmitter()\n\n constructor(defaultOptions: StructServiceOptions) {\n this.defaultOptions = defaultOptions\n this.worker = new IndigoWorker()\n this.worker.onmessage = (e: MessageEvent<OutputMessage<string>>) => {\n const message: OutputMessage<string> = e.data\n if (message.type !== undefined) {\n const event = messageTypeToEventMapping[message.type]\n this.EE.emit(event, { data: message })\n }\n }\n }\n\n async generateInchIKey(struct: string): Promise<string> {\n return new Promise((resolve, reject) => {\n const action = ({ data }) => {\n const msg: OutputMessage<string> = data\n if (!msg.hasError) {\n resolve(msg.payload || '')\n } else {\n reject(msg.error)\n }\n }\n\n const inputMessage: InputMessage<GenerateInchIKeyCommandData> = {\n type: Command.GenerateInchIKey,\n data: { struct }\n }\n\n this.EE.removeListener(WorkerEvent.GenerateInchIKey, action)\n this.EE.addListener(WorkerEvent.GenerateInchIKey, action)\n\n this.worker.postMessage(inputMessage)\n })\n }\n\n info(): Promise<InfoResult> {\n return new Promise((resolve, reject) => {\n const action = ({ data }) => {\n console.log('info action', data)\n const msg: OutputMessage<string> = data\n if (!msg.hasError) {\n const result: InfoResult = {\n // eslint-disable-next-line @typescript-eslint/no-non-null-assertion\n indigoVersion: msg.payload!,\n imagoVersions: [],\n isAvailable: true\n }\n resolve(result)\n } else {\n reject(msg.error)\n }\n }\n\n this.EE.removeListener(WorkerEvent.Info, action)\n this.EE.addListener(WorkerEvent.Info, action)\n\n this.worker.postMessage({ type: Command.Info })\n })\n }\n\n convert(\n data: ConvertData,\n options?: StructServiceOptions\n ): Promise<ConvertResult> {\n const { output_format, struct } = data\n const format = convertMimeTypeToOutputFormat(output_format)\n\n return new Promise((resolve, reject) => {\n const action = ({ data }) => {\n console.log('convert action', data)\n const msg: OutputMessage<string> = data\n if (!msg.hasError) {\n const result: ConvertResult = {\n struct: msg.payload!,\n format: output_format\n }\n resolve(result)\n } else {\n reject(msg.error)\n }\n }\n\n const commandOptions: CommandOptions = {\n ...this.defaultOptions,\n ...options\n }\n\n const commandData: ConvertCommandData = {\n struct,\n format,\n options: commandOptions\n }\n\n const inputMessage: InputMessage<ConvertCommandData> = {\n type: Command.Convert,\n data: commandData\n }\n\n this.EE.removeListener(WorkerEvent.Convert, action)\n this.EE.addListener(WorkerEvent.Convert, action)\n\n this.worker.postMessage(inputMessage)\n })\n }\n\n layout(\n data: LayoutData,\n options?: StructServiceOptions\n ): Promise<LayoutResult> {\n const { struct, output_format } = data\n const format = convertMimeTypeToOutputFormat(output_format)\n\n return new Promise((resolve, reject) => {\n const action = ({ data }) => {\n console.log('layout action', data)\n const msg: OutputMessage<string> = data\n if (!msg.hasError) {\n const result: LayoutResult = {\n struct: msg.payload!,\n format: ChemicalMimeType.Mol\n }\n resolve(result)\n } else {\n reject(msg.error)\n }\n }\n\n const commandOptions: CommandOptions = {\n ...this.defaultOptions,\n ...options\n }\n\n const commandData: LayoutCommandData = {\n struct,\n format,\n options: commandOptions\n }\n\n const inputMessage: InputMessage<LayoutCommandData> = {\n type: Command.Layout,\n data: commandData\n }\n\n this.EE.removeListener(WorkerEvent.Layout, action)\n this.EE.addListener(WorkerEvent.Layout, action)\n\n this.worker.postMessage(inputMessage)\n })\n }\n\n clean(data: CleanData, options?: StructServiceOptions): Promise<CleanResult> {\n const { struct, selected, output_format } = data\n const format = convertMimeTypeToOutputFormat(output_format)\n\n return new Promise((resolve, reject) => {\n const action = ({ data }) => {\n const msg: OutputMessage<string> = data\n if (!msg.hasError) {\n const result: CleanResult = {\n struct: msg.payload!,\n format: ChemicalMimeType.Mol\n }\n resolve(result)\n } else {\n reject(msg.error)\n }\n }\n\n const commandOptions: CommandOptions = {\n ...this.defaultOptions,\n ...options\n }\n\n const commandData: CleanCommandData = {\n struct,\n format,\n options: commandOptions,\n selectedAtoms: selected || []\n }\n\n const inputMessage: InputMessage<CleanCommandData> = {\n type: Command.Clean,\n data: commandData\n }\n\n this.EE.removeListener(WorkerEvent.Clean, action)\n this.EE.addListener(WorkerEvent.Clean, action)\n\n this.worker.postMessage(inputMessage)\n })\n }\n\n aromatize(\n data: AromatizeData,\n options?: StructServiceOptions\n ): Promise<AromatizeResult> {\n const { struct, output_format } = data\n const format = convertMimeTypeToOutputFormat(output_format)\n\n return new Promise((resolve, reject) => {\n const action = ({ data }) => {\n const msg: OutputMessage<string> = data\n if (!msg.hasError) {\n const result: AromatizeResult = {\n struct: msg.payload!,\n format: ChemicalMimeType.Mol\n }\n resolve(result)\n } else {\n reject(msg.error)\n }\n }\n\n const commandOptions: CommandOptions = {\n ...this.defaultOptions,\n ...options\n }\n\n const commandData: AromatizeCommandData = {\n struct,\n format,\n options: commandOptions\n }\n\n const inputMessage: InputMessage<AromatizeCommandData> = {\n type: Command.Aromatize,\n data: commandData\n }\n\n this.EE.removeListener(WorkerEvent.Aromatize, action)\n this.EE.addListener(WorkerEvent.Aromatize, action)\n\n this.worker.postMessage(inputMessage)\n })\n }\n\n dearomatize(\n data: DearomatizeData,\n options?: StructServiceOptions\n ): Promise<DearomatizeResult> {\n const { struct, output_format } = data\n const format = convertMimeTypeToOutputFormat(output_format)\n\n return new Promise((resolve, reject) => {\n const action = ({ data }) => {\n const msg: OutputMessage<string> = data\n if (!msg.hasError) {\n const result: AromatizeResult = {\n struct: msg.payload!,\n format: ChemicalMimeType.Mol\n }\n resolve(result)\n } else {\n reject(msg.error)\n }\n }\n\n const commandOptions: CommandOptions = {\n ...this.defaultOptions,\n ...options\n }\n\n const commandData: DearomatizeCommandData = {\n struct,\n format,\n options: commandOptions\n }\n\n const inputMessage: InputMessage<DearomatizeCommandData> = {\n type: Command.Dearomatize,\n data: commandData\n }\n\n this.EE.removeListener(WorkerEvent.Dearomatize, action)\n this.EE.addListener(WorkerEvent.Dearomatize, action)\n\n this.worker.postMessage(inputMessage)\n })\n }\n\n calculateCip(\n data: CalculateCipData,\n options?: StructServiceOptions\n ): Promise<CalculateCipResult> {\n const { struct, output_format } = data\n const format = convertMimeTypeToOutputFormat(output_format)\n\n return new Promise((resolve, reject) => {\n const action = ({ data }) => {\n const msg: OutputMessage<string> = data\n if (!msg.hasError) {\n const result: CalculateCipResult = {\n struct: msg.payload!,\n format: ChemicalMimeType.Mol\n }\n resolve(result)\n } else {\n reject(msg.error)\n }\n }\n\n const commandOptions: CommandOptions = {\n ...this.defaultOptions,\n ...options\n }\n\n const commandData: CalculateCipCommandData = {\n struct,\n format,\n options: commandOptions\n }\n\n const inputMessage: InputMessage<CalculateCipCommandData> = {\n type: Command.CalculateCip,\n data: commandData\n }\n\n this.EE.removeListener(WorkerEvent.CalculateCip, action)\n this.EE.addListener(WorkerEvent.CalculateCip, action)\n\n this.worker.postMessage(inputMessage)\n })\n }\n\n automap(\n data: AutomapData,\n options?: StructServiceOptions\n ): Promise<AutomapResult> {\n const { mode, struct, output_format } = data\n const format = convertMimeTypeToOutputFormat(output_format)\n\n return new Promise((resolve, reject) => {\n const action = ({ data }) => {\n const msg: OutputMessage<string> = data\n if (!msg.hasError) {\n const result: AutomapResult = {\n struct: msg.payload!,\n format: ChemicalMimeType.Mol\n }\n resolve(result)\n } else {\n reject(msg.error)\n }\n }\n\n const commandOptions: CommandOptions = {\n ...this.defaultOptions,\n ...options\n }\n\n const commandData: AutomapCommandData = {\n struct,\n format,\n mode,\n options: commandOptions\n }\n\n const inputMessage: InputMessage<CalculateCipCommandData> = {\n type: Command.Automap,\n data: commandData\n }\n\n this.EE.removeListener(WorkerEvent.Automap, action)\n this.EE.addListener(WorkerEvent.Automap, action)\n\n this.worker.postMessage(inputMessage)\n })\n }\n\n check(data: CheckData, options?: StructServiceOptions): Promise<CheckResult> {\n const { types, struct } = data\n\n return new Promise((resolve, reject) => {\n const action = ({ data }) => {\n const msg: OutputMessage<string> = data\n if (!msg.hasError) {\n const warnings = JSON.parse(msg.payload!) as KeyValuePair\n\n const result: CheckResult = Object.entries(warnings).reduce(\n (acc, curr) => {\n const [key, value] = curr\n const mappedPropertyName = mapWarningGroup(key)\n acc[mappedPropertyName] = value\n\n return acc\n },\n {}\n )\n resolve(result)\n } else {\n reject(msg.error)\n }\n }\n\n const commandOptions: CommandOptions = {\n ...this.defaultOptions,\n ...options\n }\n\n const commandData: CheckCommandData = {\n struct,\n types,\n options: commandOptions\n }\n\n const inputMessage: InputMessage<CheckCommandData> = {\n type: Command.Check,\n data: commandData\n }\n\n this.EE.removeListener(WorkerEvent.Check, action)\n this.EE.addListener(WorkerEvent.Check, action)\n\n this.worker.postMessage(inputMessage)\n })\n }\n\n calculate(\n data: CalculateData,\n options?: StructServiceOptions\n ): Promise<CalculateResult> {\n const { properties, struct, selected } = data\n return new Promise((resolve, reject) => {\n const action = ({ data }) => {\n const msg: OutputMessage<string> = data\n if (!msg.hasError) {\n const calculatedProperties: CalculateResult = JSON.parse(msg.payload!)\n const result: CalculateResult = Object.entries(\n calculatedProperties\n ).reduce((acc, curr) => {\n const [key, value] = curr\n const mappedPropertyName = mapCalculatedPropertyName(\n key as CalculateProps\n )\n if (properties.includes(mappedPropertyName)) {\n acc[mappedPropertyName] = value\n }\n\n return acc\n }, {} as CalculateResult)\n resolve(result)\n } else {\n reject(msg.error)\n }\n }\n\n const commandOptions: CommandOptions = {\n ...this.defaultOptions,\n ...options\n }\n\n const commandData: CalculateCommandData = {\n struct,\n properties,\n options: commandOptions,\n selectedAtoms: selected || []\n }\n\n const inputMessage: InputMessage<CalculateCommandData> = {\n type: Command.Calculate,\n data: commandData\n }\n\n this.EE.removeListener(WorkerEvent.Calculate, action)\n this.EE.addListener(WorkerEvent.Calculate, action)\n\n this.worker.postMessage(inputMessage)\n })\n }\n\n recognize(_blob: Blob, _version: string): Promise<RecognizeResult> {\n return Promise.reject(new Error('Not supported in standalone mode'))\n }\n\n generateImageAsBase64(\n data: string,\n options: GenerateImageOptions = { outputFormat: 'png', backgroundColor: '' }\n ): Promise<string> {\n const { outputFormat, backgroundColor, ...restOptions } = options\n return new Promise((resolve, reject) => {\n const action = ({ data }) => {\n const msg: OutputMessage<string> = data\n if (!msg.hasError) {\n resolve(msg.payload!)\n } else {\n reject(msg.error)\n }\n }\n\n const commandOptions: CommandOptions = {\n ...this.defaultOptions,\n ...restOptions\n }\n\n const commandData: GenerateImageCommandData = {\n struct: data,\n outputFormat: outputFormat || 'png',\n backgroundColor: backgroundColor,\n options: commandOptions\n }\n\n const inputMessage: InputMessage<GenerateImageCommandData> = {\n type: Command.GenerateImageAsBase64,\n data: commandData\n }\n\n this.EE.removeListener(WorkerEvent.GenerateImageAsBase64, action)\n this.EE.addListener(WorkerEvent.GenerateImageAsBase64, action)\n\n this.worker.postMessage(inputMessage)\n })\n }\n}\n\nexport default IndigoService\n","/****************************************************************************\n * Copyright 2021 EPAM Systems\n *\n * Licensed under the Apache License, Version 2.0 (the \"License\");\n * you may not use this file except in compliance with the License.\n * You may obtain a copy of the License at\n *\n * http://www.apache.org/licenses/LICENSE-2.0\n *\n * Unless required by applicable law or agreed to in writing, software\n * distributed under the License is distributed on an \"AS IS\" BASIS,\n * WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.\n * See the License for the specific language governing permissions and\n * limitations under the License.\n ***************************************************************************/\n\nimport {\n ServiceMode,\n StructService,\n StructServiceOptions,\n StructServiceProvider\n} from 'ketcher-core'\n\nimport StandaloneStructService from './standaloneStructService'\n\nclass StandaloneStructServiceProvider implements StructServiceProvider {\n mode: ServiceMode = 'standalone'\n\n createStructService(options: StructServiceOptions): StructService {\n return new StandaloneStructService(options)\n }\n}\nexport default 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package/package.json CHANGED
@@ -1,6 +1,6 @@
1
1
  {
2
2
  "name": "ketcher-standalone",
3
- "version": "2.8.0-rc.3-dev.1",
3
+ "version": "2.8.0-rc.3-dev.2",
4
4
  "description": "Web-based molecule sketcher",
5
5
  "license": "Apache-2.0",
6
6
  "homepage": "http://lifescience.opensource.epam.com/ketcher",