ketcher-standalone
Version:
Web-based molecule sketcher
1,259 lines (1,189 loc) • 42.7 kB
JavaScript
/****************************************************************************
* Copyright 2021 EPAM Systems
*
* Licensed under the Apache License, Version 2.0 (the "License");
* you may not use this file except in compliance with the License.
* You may obtain a copy of the License at
*
* http://www.apache.org/licenses/LICENSE-2.0
*
* Unless required by applicable law or agreed to in writing, software
* distributed under the License is distributed on an "AS IS" BASIS,
* WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
* See the License for the specific language governing permissions and
* limitations under the License.
***************************************************************************/
import _objectWithoutProperties from '@babel/runtime/helpers/objectWithoutProperties';
import _slicedToArray from '@babel/runtime/helpers/slicedToArray';
import _asyncToGenerator from '@babel/runtime/helpers/asyncToGenerator';
import _classCallCheck from '@babel/runtime/helpers/classCallCheck';
import _createClass from '@babel/runtime/helpers/createClass';
import _defineProperty from '@babel/runtime/helpers/defineProperty';
import _regeneratorRuntime from '@babel/runtime/regenerator';
import { C as Command, W as WorkerEvent, S as SupportedFormat } from './indigoWorker.types-44870eb7.js';
import { pickStandardServerOptions, CoreEditor, getLabelRenderModeForIndigo, ChemicalMimeType } from 'ketcher-core';
var domain;
// This constructor is used to store event handlers. Instantiating this is
// faster than explicitly calling `Object.create(null)` to get a "clean" empty
// object (tested with v8 v4.9).
function EventHandlers() {}
EventHandlers.prototype = Object.create(null);
function EventEmitter() {
EventEmitter.init.call(this);
}
// nodejs oddity
// require('events') === require('events').EventEmitter
EventEmitter.EventEmitter = EventEmitter;
EventEmitter.usingDomains = false;
EventEmitter.prototype.domain = undefined;
EventEmitter.prototype._events = undefined;
EventEmitter.prototype._maxListeners = undefined;
// By default EventEmitters will print a warning if more than 10 listeners are
// added to it. This is a useful default which helps finding memory leaks.
EventEmitter.defaultMaxListeners = 10;
EventEmitter.init = function() {
this.domain = null;
if (EventEmitter.usingDomains) {
// if there is an active domain, then attach to it.
if (domain.active ) ;
}
if (!this._events || this._events === Object.getPrototypeOf(this)._events) {
this._events = new EventHandlers();
this._eventsCount = 0;
}
this._maxListeners = this._maxListeners || undefined;
};
// Obviously not all Emitters should be limited to 10. This function allows
// that to be increased. Set to zero for unlimited.
EventEmitter.prototype.setMaxListeners = function setMaxListeners(n) {
if (typeof n !== 'number' || n < 0 || isNaN(n))
throw new TypeError('"n" argument must be a positive number');
this._maxListeners = n;
return this;
};
function $getMaxListeners(that) {
if (that._maxListeners === undefined)
return EventEmitter.defaultMaxListeners;
return that._maxListeners;
}
EventEmitter.prototype.getMaxListeners = function getMaxListeners() {
return $getMaxListeners(this);
};
// These standalone emit* functions are used to optimize calling of event
// handlers for fast cases because emit() itself often has a variable number of
// arguments and can be deoptimized because of that. These functions always have
// the same number of arguments and thus do not get deoptimized, so the code
// inside them can execute faster.
function emitNone(handler, isFn, self) {
if (isFn)
handler.call(self);
else {
var len = handler.length;
var listeners = arrayClone(handler, len);
for (var i = 0; i < len; ++i)
listeners[i].call(self);
}
}
function emitOne(handler, isFn, self, arg1) {
if (isFn)
handler.call(self, arg1);
else {
var len = handler.length;
var listeners = arrayClone(handler, len);
for (var i = 0; i < len; ++i)
listeners[i].call(self, arg1);
}
}
function emitTwo(handler, isFn, self, arg1, arg2) {
if (isFn)
handler.call(self, arg1, arg2);
else {
var len = handler.length;
var listeners = arrayClone(handler, len);
for (var i = 0; i < len; ++i)
listeners[i].call(self, arg1, arg2);
}
}
function emitThree(handler, isFn, self, arg1, arg2, arg3) {
if (isFn)
handler.call(self, arg1, arg2, arg3);
else {
var len = handler.length;
var listeners = arrayClone(handler, len);
for (var i = 0; i < len; ++i)
listeners[i].call(self, arg1, arg2, arg3);
}
}
function emitMany(handler, isFn, self, args) {
if (isFn)
handler.apply(self, args);
else {
var len = handler.length;
var listeners = arrayClone(handler, len);
for (var i = 0; i < len; ++i)
listeners[i].apply(self, args);
}
}
EventEmitter.prototype.emit = function emit(type) {
var er, handler, len, args, i, events, domain;
var doError = (type === 'error');
events = this._events;
if (events)
doError = (doError && events.error == null);
else if (!doError)
return false;
domain = this.domain;
// If there is no 'error' event listener then throw.
if (doError) {
er = arguments[1];
if (domain) {
if (!er)
er = new Error('Uncaught, unspecified "error" event');
er.domainEmitter = this;
er.domain = domain;
er.domainThrown = false;
domain.emit('error', er);
} else if (er instanceof Error) {
throw er; // Unhandled 'error' event
} else {
// At least give some kind of context to the user
var err = new Error('Uncaught, unspecified "error" event. (' + er + ')');
err.context = er;
throw err;
}
return false;
}
handler = events[type];
if (!handler)
return false;
var isFn = typeof handler === 'function';
len = arguments.length;
switch (len) {
// fast cases
case 1:
emitNone(handler, isFn, this);
break;
case 2:
emitOne(handler, isFn, this, arguments[1]);
break;
case 3:
emitTwo(handler, isFn, this, arguments[1], arguments[2]);
break;
case 4:
emitThree(handler, isFn, this, arguments[1], arguments[2], arguments[3]);
break;
// slower
default:
args = new Array(len - 1);
for (i = 1; i < len; i++)
args[i - 1] = arguments[i];
emitMany(handler, isFn, this, args);
}
return true;
};
function _addListener(target, type, listener, prepend) {
var m;
var events;
var existing;
if (typeof listener !== 'function')
throw new TypeError('"listener" argument must be a function');
events = target._events;
if (!events) {
events = target._events = new EventHandlers();
target._eventsCount = 0;
} else {
// To avoid recursion in the case that type === "newListener"! Before
// adding it to the listeners, first emit "newListener".
if (events.newListener) {
target.emit('newListener', type,
listener.listener ? listener.listener : listener);
// Re-assign `events` because a newListener handler could have caused the
// this._events to be assigned to a new object
events = target._events;
}
existing = events[type];
}
if (!existing) {
// Optimize the case of one listener. Don't need the extra array object.
existing = events[type] = listener;
++target._eventsCount;
} else {
if (typeof existing === 'function') {
// Adding the second element, need to change to array.
existing = events[type] = prepend ? [listener, existing] :
[existing, listener];
} else {
// If we've already got an array, just append.
if (prepend) {
existing.unshift(listener);
} else {
existing.push(listener);
}
}
// Check for listener leak
if (!existing.warned) {
m = $getMaxListeners(target);
if (m && m > 0 && existing.length > m) {
existing.warned = true;
var w = new Error('Possible EventEmitter memory leak detected. ' +
existing.length + ' ' + type + ' listeners added. ' +
'Use emitter.setMaxListeners() to increase limit');
w.name = 'MaxListenersExceededWarning';
w.emitter = target;
w.type = type;
w.count = existing.length;
emitWarning(w);
}
}
}
return target;
}
function emitWarning(e) {
typeof console.warn === 'function' ? console.warn(e) : console.log(e);
}
EventEmitter.prototype.addListener = function addListener(type, listener) {
return _addListener(this, type, listener, false);
};
EventEmitter.prototype.on = EventEmitter.prototype.addListener;
EventEmitter.prototype.prependListener =
function prependListener(type, listener) {
return _addListener(this, type, listener, true);
};
function _onceWrap(target, type, listener) {
var fired = false;
function g() {
target.removeListener(type, g);
if (!fired) {
fired = true;
listener.apply(target, arguments);
}
}
g.listener = listener;
return g;
}
EventEmitter.prototype.once = function once(type, listener) {
if (typeof listener !== 'function')
throw new TypeError('"listener" argument must be a function');
this.on(type, _onceWrap(this, type, listener));
return this;
};
EventEmitter.prototype.prependOnceListener =
function prependOnceListener(type, listener) {
if (typeof listener !== 'function')
throw new TypeError('"listener" argument must be a function');
this.prependListener(type, _onceWrap(this, type, listener));
return this;
};
// emits a 'removeListener' event iff the listener was removed
EventEmitter.prototype.removeListener =
function removeListener(type, listener) {
var list, events, position, i, originalListener;
if (typeof listener !== 'function')
throw new TypeError('"listener" argument must be a function');
events = this._events;
if (!events)
return this;
list = events[type];
if (!list)
return this;
if (list === listener || (list.listener && list.listener === listener)) {
if (--this._eventsCount === 0)
this._events = new EventHandlers();
else {
delete events[type];
if (events.removeListener)
this.emit('removeListener', type, list.listener || listener);
}
} else if (typeof list !== 'function') {
position = -1;
for (i = list.length; i-- > 0;) {
if (list[i] === listener ||
(list[i].listener && list[i].listener === listener)) {
originalListener = list[i].listener;
position = i;
break;
}
}
if (position < 0)
return this;
if (list.length === 1) {
list[0] = undefined;
if (--this._eventsCount === 0) {
this._events = new EventHandlers();
return this;
} else {
delete events[type];
}
} else {
spliceOne(list, position);
}
if (events.removeListener)
this.emit('removeListener', type, originalListener || listener);
}
return this;
};
EventEmitter.prototype.removeAllListeners =
function removeAllListeners(type) {
var listeners, events;
events = this._events;
if (!events)
return this;
// not listening for removeListener, no need to emit
if (!events.removeListener) {
if (arguments.length === 0) {
this._events = new EventHandlers();
this._eventsCount = 0;
} else if (events[type]) {
if (--this._eventsCount === 0)
this._events = new EventHandlers();
else
delete events[type];
}
return this;
}
// emit removeListener for all listeners on all events
if (arguments.length === 0) {
var keys = Object.keys(events);
for (var i = 0, key; i < keys.length; ++i) {
key = keys[i];
if (key === 'removeListener') continue;
this.removeAllListeners(key);
}
this.removeAllListeners('removeListener');
this._events = new EventHandlers();
this._eventsCount = 0;
return this;
}
listeners = events[type];
if (typeof listeners === 'function') {
this.removeListener(type, listeners);
} else if (listeners) {
// LIFO order
do {
this.removeListener(type, listeners[listeners.length - 1]);
} while (listeners[0]);
}
return this;
};
EventEmitter.prototype.listeners = function listeners(type) {
var evlistener;
var ret;
var events = this._events;
if (!events)
ret = [];
else {
evlistener = events[type];
if (!evlistener)
ret = [];
else if (typeof evlistener === 'function')
ret = [evlistener.listener || evlistener];
else
ret = unwrapListeners(evlistener);
}
return ret;
};
EventEmitter.listenerCount = function(emitter, type) {
if (typeof emitter.listenerCount === 'function') {
return emitter.listenerCount(type);
} else {
return listenerCount.call(emitter, type);
}
};
EventEmitter.prototype.listenerCount = listenerCount;
function listenerCount(type) {
var events = this._events;
if (events) {
var evlistener = events[type];
if (typeof evlistener === 'function') {
return 1;
} else if (evlistener) {
return evlistener.length;
}
}
return 0;
}
EventEmitter.prototype.eventNames = function eventNames() {
return this._eventsCount > 0 ? Reflect.ownKeys(this._events) : [];
};
// About 1.5x faster than the two-arg version of Array#splice().
function spliceOne(list, index) {
for (var i = index, k = i + 1, n = list.length; k < n; i += 1, k += 1)
list[i] = list[k];
list.pop();
}
function arrayClone(arr, i) {
var copy = new Array(i);
while (i--)
copy[i] = arr[i];
return copy;
}
function unwrapListeners(arr) {
var ret = new Array(arr.length);
for (var i = 0; i < ret.length; ++i) {
ret[i] = arr[i].listener || arr[i];
}
return ret;
}
var STRUCT_SERVICE_NO_RENDER_INITIALIZED_EVENT = 'struct-service-no-render-initialized';
var STRUCT_SERVICE_INITIALIZED_EVENT = 'struct-service-initialized';
var indigoWorker = new Worker(new URL("indigoWorker-5d0a61ab.js", import.meta.url), {
type: 'module'
});
var _excluded = ["outputFormat", "backgroundColor"];
var _messageTypeToEventMa;
function ownKeys(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymbols) { var o = Object.getOwnPropertySymbols(e); r && (o = o.filter(function (r) { return Object.getOwnPropertyDescriptor(e, r).enumerable; })), t.push.apply(t, o); } return t; }
function _objectSpread(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys(Object(t), !0).forEach(function (r) { _defineProperty(e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
function convertMimeTypeToOutputFormat(mimeType) {
var format;
switch (mimeType) {
case ChemicalMimeType.Mol:
{
format = SupportedFormat.Mol;
break;
}
case ChemicalMimeType.Rxn:
{
format = SupportedFormat.Rxn;
break;
}
case ChemicalMimeType.DaylightSmiles:
case ChemicalMimeType.ExtendedSmiles:
{
format = SupportedFormat.Smiles;
break;
}
case ChemicalMimeType.DaylightSmarts:
{
format = SupportedFormat.Smarts;
break;
}
case ChemicalMimeType.InChI:
{
format = SupportedFormat.InChI;
break;
}
case ChemicalMimeType.InChIAuxInfo:
{
format = SupportedFormat.InChIAuxInfo;
break;
}
case ChemicalMimeType.InChIKey:
{
format = SupportedFormat.InChIKey;
break;
}
case ChemicalMimeType.CML:
{
format = SupportedFormat.CML;
break;
}
case ChemicalMimeType.KET:
{
format = SupportedFormat.Ket;
break;
}
case ChemicalMimeType.CDXML:
{
format = SupportedFormat.CDXML;
break;
}
case ChemicalMimeType.CDX:
{
format = SupportedFormat.CDX;
break;
}
case ChemicalMimeType.SDF:
{
format = SupportedFormat.SDF;
break;
}
case ChemicalMimeType.FASTA:
{
format = SupportedFormat.FASTA;
break;
}
case ChemicalMimeType.SEQUENCE:
{
format = SupportedFormat.SEQUENCE;
break;
}
case ChemicalMimeType.PeptideSequenceThreeLetter:
{
format = SupportedFormat.SEQUENCE_3_LETTER;
break;
}
case ChemicalMimeType.IDT:
{
format = SupportedFormat.IDT;
break;
}
case ChemicalMimeType.AXOLABS:
{
format = SupportedFormat.AXOLABS;
break;
}
case ChemicalMimeType.HELM:
{
format = SupportedFormat.HELM;
break;
}
case ChemicalMimeType.RDF:
format = SupportedFormat.RDF;
break;
case ChemicalMimeType.MonomerLibrary:
format = SupportedFormat.MonomerLibrary;
break;
case ChemicalMimeType.UNKNOWN:
default:
{
throw new Error('Unsupported chemical mime type');
}
}
return format;
}
function mapCalculatedPropertyName(property) {
if (property === 'gross-formula') {
return 'gross';
}
return property;
}
function mapWarningGroup(property) {
if (property === 'OVERLAP_BOND') {
return 'overlapping_bonds';
}
return property.toLowerCase();
}
var messageTypeToEventMapping = (_messageTypeToEventMa = {}, _defineProperty(_defineProperty(_defineProperty(_defineProperty(_defineProperty(_defineProperty(_defineProperty(_defineProperty(_defineProperty(_defineProperty(_messageTypeToEventMa, Command.Info, WorkerEvent.Info), Command.Convert, WorkerEvent.Convert), Command.Layout, WorkerEvent.Layout), Command.Clean, WorkerEvent.Clean), Command.Aromatize, WorkerEvent.Aromatize), Command.Dearomatize, WorkerEvent.Dearomatize), Command.CalculateCip, WorkerEvent.CalculateCip), Command.Automap, WorkerEvent.Automap), Command.Check, WorkerEvent.Check), Command.Calculate, WorkerEvent.Calculate), _defineProperty(_defineProperty(_defineProperty(_defineProperty(_messageTypeToEventMa, Command.GenerateImageAsBase64, WorkerEvent.GenerateImageAsBase64), Command.GetInChIKey, WorkerEvent.GetInChIKey), Command.ExplicitHydrogens, WorkerEvent.ExplicitHydrogens), Command.CalculateMacromoleculeProperties, WorkerEvent.CalculateMacromoleculeProperties));
var IndigoService = function () {
function IndigoService(defaultOptions) {
var _this = this;
_classCallCheck(this, IndigoService);
_defineProperty(this, "EE", new EventEmitter());
_defineProperty(this, "ketcherId", null);
this.defaultOptions = defaultOptions;
this.worker = indigoWorker;
this.worker.onmessage = function (e) {
if (e.data.type === Command.Info) {
var callbackMethod = _this.callIndigoLoadedCallback;
callbackMethod();
}
var message = e.data;
if (message.type !== undefined) {
var event = messageTypeToEventMapping[message.type];
_this.EE.emit(event, {
data: message
});
}
};
}
_createClass(IndigoService, [{
key: "addKetcherId",
value: function addKetcherId(ketcherId) {
this.ketcherId = ketcherId;
}
}, {
key: "getStandardServerOptions",
value: function getStandardServerOptions(options) {
if (!options) {
return this.defaultOptions;
}
if (!this.ketcherId) {
throw new Error('Cannot getting options because there are no ketcherId');
}
return pickStandardServerOptions(this.ketcherId, options);
}
}, {
key: "callIndigoNoRenderLoadedCallback",
value: function callIndigoNoRenderLoadedCallback() {
window.dispatchEvent(new Event(STRUCT_SERVICE_NO_RENDER_INITIALIZED_EVENT));
}
}, {
key: "callIndigoLoadedCallback",
value: function callIndigoLoadedCallback() {
window.dispatchEvent(new Event(STRUCT_SERVICE_INITIALIZED_EVENT));
}
}, {
key: "getInChIKey",
value: function () {
var _getInChIKey = _asyncToGenerator( _regeneratorRuntime.mark(function _callee(struct) {
var _this2 = this;
return _regeneratorRuntime.wrap(function _callee$(_context) {
while (1) switch (_context.prev = _context.next) {
case 0:
return _context.abrupt("return", new Promise(function (resolve, reject) {
var action = function action(_ref) {
var data = _ref.data;
var msg = data;
if (!msg.hasError) {
resolve(msg.payload || '');
} else {
reject(msg.error);
}
};
var inputMessage = {
type: Command.GetInChIKey,
data: {
struct: struct
}
};
_this2.EE.removeListener(WorkerEvent.GetInChIKey, action);
_this2.EE.addListener(WorkerEvent.GetInChIKey, action);
_this2.worker.postMessage(inputMessage);
}));
case 1:
case "end":
return _context.stop();
}
}, _callee);
}));
function getInChIKey(_x) {
return _getInChIKey.apply(this, arguments);
}
return getInChIKey;
}()
}, {
key: "info",
value: function info() {
var _this3 = this;
return new Promise(function (resolve, reject) {
var action = function action(_ref2) {
var data = _ref2.data;
var msg = data;
if (!msg.hasError) {
var result = {
indigoVersion: msg.payload,
imagoVersions: [],
isAvailable: true
};
resolve(result);
} else {
reject(msg.error);
}
};
_this3.EE.removeListener(WorkerEvent.Info, action);
_this3.EE.addListener(WorkerEvent.Info, action);
_this3.worker.postMessage({
type: Command.Info
});
});
}
}, {
key: "convert",
value: function convert(data, options) {
var _this4 = this;
var outputFormat = data.output_format,
inputFormat = data.input_format,
struct = data.struct;
var format = convertMimeTypeToOutputFormat(outputFormat);
return new Promise(function (resolve, reject) {
var _CoreEditor$provideEd;
var action = function action(_ref3) {
var data = _ref3.data;
var msg = data;
if (msg.inputData === struct) {
if (!msg.hasError) {
var result = {
struct: msg.payload,
format: outputFormat
};
resolve(result);
} else {
reject(msg.error);
}
}
};
var monomerLibrary = JSON.stringify((_CoreEditor$provideEd = CoreEditor.provideEditorInstance()) === null || _CoreEditor$provideEd === void 0 ? void 0 : _CoreEditor$provideEd.monomersLibraryParsedJson);
var commandOptions = _objectSpread(_objectSpread({}, _this4.getStandardServerOptions(options)), {}, {
'bond-length-unit': options === null || options === void 0 ? void 0 : options['bond-length-unit'],
'bond-length': options === null || options === void 0 ? void 0 : options['bond-length'],
'reaction-component-margin-size-unit': options === null || options === void 0 ? void 0 : options['reaction-component-margin-size-unit'],
'reaction-component-margin-size': options === null || options === void 0 ? void 0 : options['reaction-component-margin-size'],
'image-resolution': options === null || options === void 0 ? void 0 : options['image-resolution'],
'input-format': inputFormat,
'molfile-saving-mode': options === null || options === void 0 ? void 0 : options['molfile-saving-mode'],
'monomer-library-saving-mode': options === null || options === void 0 ? void 0 : options['monomer-library-saving-mode'],
'molfile-saving-skip-date': options === null || options === void 0 ? void 0 : options['molfile-saving-skip-date'],
'sequence-type': options === null || options === void 0 ? void 0 : options['sequence-type'],
'output-content-type': options === null || options === void 0 ? void 0 : options['output-content-type'],
monomerLibrary: monomerLibrary
});
var commandData = {
struct: struct,
format: format,
options: commandOptions
};
var inputMessage = {
type: Command.Convert,
data: commandData
};
_this4.EE.removeListener(WorkerEvent.Convert, action);
_this4.EE.addListener(WorkerEvent.Convert, action);
_this4.worker.postMessage(inputMessage);
});
}
}, {
key: "layout",
value: function layout(data, options) {
var _this5 = this;
var struct = data.struct,
outputFormat = data.output_format;
var format = convertMimeTypeToOutputFormat(outputFormat);
return new Promise(function (resolve, reject) {
var action = function action(_ref4) {
var data = _ref4.data;
var msg = data;
if (!msg.hasError) {
var _struct = msg.payload.struct;
var result = {
struct: _struct,
format: ChemicalMimeType.Mol
};
resolve(result);
} else {
reject(msg.error);
}
};
var commandOptions = _objectSpread(_objectSpread({}, _this5.getStandardServerOptions(options)), {}, {
'output-content-type': 'application/json',
'render-label-mode': _this5.ketcherId ? getLabelRenderModeForIndigo(_this5.ketcherId) : undefined,
'render-font-size': options === null || options === void 0 ? void 0 : options['render-font-size'],
'render-font-size-unit': options === null || options === void 0 ? void 0 : options['render-font-size-unit'],
'render-font-size-sub': options === null || options === void 0 ? void 0 : options['render-font-size-sub'],
'render-font-size-sub-unit': options === null || options === void 0 ? void 0 : options['render-font-size-sub-unit'],
'bond-length-unit': options === null || options === void 0 ? void 0 : options['bond-length-unit'],
'bond-length': options === null || options === void 0 ? void 0 : options['bond-length'],
'reaction-component-margin-size-unit': options === null || options === void 0 ? void 0 : options['reaction-component-margin-size-unit'],
'reaction-component-margin-size': options === null || options === void 0 ? void 0 : options['reaction-component-margin-size'],
'image-resolution': options === null || options === void 0 ? void 0 : options['image-resolution']
});
var commandData = {
struct: struct,
format: format,
options: commandOptions
};
var inputMessage = {
type: Command.Layout,
data: commandData
};
_this5.EE.removeListener(WorkerEvent.Layout, action);
_this5.EE.addListener(WorkerEvent.Layout, action);
_this5.worker.postMessage(inputMessage);
});
}
}, {
key: "clean",
value: function clean(data, options) {
var _this6 = this;
var struct = data.struct,
selected = data.selected,
outputFormat = data.output_format;
var format = convertMimeTypeToOutputFormat(outputFormat);
return new Promise(function (resolve, reject) {
var action = function action(_ref5) {
var data = _ref5.data;
var msg = data;
if (!msg.hasError) {
var result = {
struct: msg.payload,
format: ChemicalMimeType.Mol
};
resolve(result);
} else {
reject(msg.error);
}
};
var commandData = {
struct: struct,
format: format,
options: _this6.getStandardServerOptions(options),
selectedAtoms: selected || []
};
var inputMessage = {
type: Command.Clean,
data: commandData
};
_this6.EE.removeListener(WorkerEvent.Clean, action);
_this6.EE.addListener(WorkerEvent.Clean, action);
_this6.worker.postMessage(inputMessage);
});
}
}, {
key: "aromatize",
value: function aromatize(data, options) {
var _this7 = this;
var struct = data.struct,
outputFormat = data.output_format;
var format = convertMimeTypeToOutputFormat(outputFormat);
return new Promise(function (resolve, reject) {
var action = function action(_ref6) {
var data = _ref6.data;
var msg = data;
if (!msg.hasError) {
var result = {
struct: msg.payload,
format: ChemicalMimeType.Mol
};
resolve(result);
} else {
reject(msg.error);
}
};
var commandData = {
struct: struct,
format: format,
options: _this7.getStandardServerOptions(options)
};
var inputMessage = {
type: Command.Aromatize,
data: commandData
};
_this7.EE.removeListener(WorkerEvent.Aromatize, action);
_this7.EE.addListener(WorkerEvent.Aromatize, action);
_this7.worker.postMessage(inputMessage);
});
}
}, {
key: "dearomatize",
value: function dearomatize(data, options) {
var _this8 = this;
var struct = data.struct,
outputFormat = data.output_format;
var format = convertMimeTypeToOutputFormat(outputFormat);
return new Promise(function (resolve, reject) {
var action = function action(_ref7) {
var data = _ref7.data;
var msg = data;
if (!msg.hasError) {
var result = {
struct: msg.payload,
format: ChemicalMimeType.Mol
};
resolve(result);
} else {
reject(msg.error);
}
};
var commandData = {
struct: struct,
format: format,
options: _this8.getStandardServerOptions(options)
};
var inputMessage = {
type: Command.Dearomatize,
data: commandData
};
_this8.EE.removeListener(WorkerEvent.Dearomatize, action);
_this8.EE.addListener(WorkerEvent.Dearomatize, action);
_this8.worker.postMessage(inputMessage);
});
}
}, {
key: "calculateCip",
value: function calculateCip(data, options) {
var _this9 = this;
var struct = data.struct,
outputFormat = data.output_format;
var format = convertMimeTypeToOutputFormat(outputFormat);
return new Promise(function (resolve, reject) {
var action = function action(_ref8) {
var data = _ref8.data;
var msg = data;
if (!msg.hasError) {
var result = {
struct: msg.payload,
format: ChemicalMimeType.Mol
};
resolve(result);
} else {
reject(msg.error);
}
};
var commandData = {
struct: struct,
format: format,
options: _this9.getStandardServerOptions(options)
};
var inputMessage = {
type: Command.CalculateCip,
data: commandData
};
_this9.EE.removeListener(WorkerEvent.CalculateCip, action);
_this9.EE.addListener(WorkerEvent.CalculateCip, action);
_this9.worker.postMessage(inputMessage);
});
}
}, {
key: "automap",
value: function automap(data, options) {
var _this10 = this;
var mode = data.mode,
struct = data.struct,
outputFormat = data.output_format;
var format = convertMimeTypeToOutputFormat(outputFormat);
return new Promise(function (resolve, reject) {
var action = function action(_ref9) {
var data = _ref9.data;
var msg = data;
if (!msg.hasError) {
var result = {
struct: msg.payload,
format: ChemicalMimeType.Mol
};
resolve(result);
} else {
reject(msg.error);
}
};
var commandData = {
struct: struct,
format: format,
mode: mode,
options: _this10.getStandardServerOptions(options)
};
var inputMessage = {
type: Command.Automap,
data: commandData
};
_this10.EE.removeListener(WorkerEvent.Automap, action);
_this10.EE.addListener(WorkerEvent.Automap, action);
_this10.worker.postMessage(inputMessage);
});
}
}, {
key: "check",
value: function check(data, options) {
var _this11 = this;
var types = data.types,
struct = data.struct;
return new Promise(function (resolve, reject) {
var action = function action(_ref10) {
var data = _ref10.data;
var msg = data;
if (!msg.hasError) {
var warnings = JSON.parse(msg.payload);
var result = Object.entries(warnings).reduce(function (acc, curr) {
var _curr = _slicedToArray(curr, 2),
key = _curr[0],
value = _curr[1];
var mappedPropertyName = mapWarningGroup(key);
acc[mappedPropertyName] = value;
return acc;
}, {});
resolve(result);
} else {
reject(msg.error);
}
};
var commandData = {
struct: struct,
types: types,
options: _this11.getStandardServerOptions(options)
};
var inputMessage = {
type: Command.Check,
data: commandData
};
_this11.EE.removeListener(WorkerEvent.Check, action);
_this11.EE.addListener(WorkerEvent.Check, action);
_this11.worker.postMessage(inputMessage);
});
}
}, {
key: "calculate",
value: function calculate(data, options) {
var _this12 = this;
var properties = data.properties,
struct = data.struct,
selected = data.selected;
return new Promise(function (resolve, reject) {
var action = function action(_ref11) {
var data = _ref11.data;
var msg = data;
if (!msg.hasError) {
var calculatedProperties = JSON.parse(msg.payload);
var result = Object.entries(calculatedProperties).reduce(function (acc, curr) {
var _curr2 = _slicedToArray(curr, 2),
key = _curr2[0],
value = _curr2[1];
var mappedPropertyName = mapCalculatedPropertyName(key);
if (properties.includes(mappedPropertyName)) {
acc[mappedPropertyName] = value;
}
return acc;
}, {});
resolve(result);
} else {
reject(msg.error);
}
};
var commandData = {
struct: struct,
properties: properties,
options: _this12.getStandardServerOptions(options),
selectedAtoms: selected || []
};
var inputMessage = {
type: Command.Calculate,
data: commandData
};
_this12.EE.removeListener(WorkerEvent.Calculate, action);
_this12.EE.addListener(WorkerEvent.Calculate, action);
_this12.worker.postMessage(inputMessage);
});
}
}, {
key: "recognize",
value: function recognize(_blob, _version) {
return Promise.reject(new Error('Not supported in standalone mode'));
}
}, {
key: "generateImageAsBase64",
value: function generateImageAsBase64(inputData) {
var _this13 = this;
var options = arguments.length > 1 && arguments[1] !== undefined ? arguments[1] : {
outputFormat: 'png',
backgroundColor: ''
};
var outputFormat = options.outputFormat,
backgroundColor = options.backgroundColor,
restOptions = _objectWithoutProperties(options, _excluded);
return new Promise(function (resolve, reject) {
var action = function action(_ref12) {
var data = _ref12.data;
var msg = data;
if (msg.inputData === inputData) {
if (!msg.hasError) {
resolve(msg.payload);
} else {
reject(msg.error);
}
}
};
var commandOptions = _objectSpread(_objectSpread({}, _this13.getStandardServerOptions(restOptions)), {}, {
'render-label-mode': _this13.ketcherId ? getLabelRenderModeForIndigo(_this13.ketcherId) : undefined,
'render-coloring': restOptions['render-coloring'],
'render-font-size': restOptions['render-font-size'],
'render-font-size-unit': restOptions['render-font-size-unit'],
'render-font-size-sub': restOptions['render-font-size-sub'],
'render-font-size-sub-unit': restOptions['render-font-size-sub-unit'],
'image-resolution': restOptions['image-resolution'],
'bond-length-unit': restOptions['bond-length-unit'],
'bond-length': restOptions['bond-length'],
'render-bond-thickness': restOptions['render-bond-thickness'],
'render-bond-thickness-unit': restOptions['render-bond-thickness-unit'],
'render-bond-spacing': restOptions['render-bond-spacing'],
'render-stereo-bond-width': restOptions['render-stereo-bond-width'],
'render-stereo-bond-width-unit': restOptions['render-stereo-bond-width-unit'],
'render-stereo-style': restOptions['render-stereo-style'],
'render-hash-spacing': restOptions['render-hash-spacing'],
'render-hash-spacing-unit': restOptions['render-hash-spacing-unit'],
'render-output-sheet-width': restOptions['render-output-sheet-width'],
'render-output-sheet-height': restOptions['render-output-sheet-height']
});
var commandData = {
struct: inputData,
outputFormat: outputFormat || 'png',
backgroundColor: backgroundColor,
options: commandOptions
};
var inputMessage = {
type: Command.GenerateImageAsBase64,
data: commandData
};
_this13.EE.removeListener(WorkerEvent.GenerateImageAsBase64, action);
_this13.EE.addListener(WorkerEvent.GenerateImageAsBase64, action);
_this13.worker.postMessage(inputMessage);
});
}
}, {
key: "toggleExplicitHydrogens",
value: function toggleExplicitHydrogens(data, options) {
var _this14 = this;
var struct = data.struct,
outputFormat = data.output_format;
var format = convertMimeTypeToOutputFormat(outputFormat);
var mode = 'auto';
return new Promise(function (resolve, reject) {
var action = function action(_ref13) {
var data = _ref13.data;
var msg = data;
if (!msg.hasError) {
var result = {
struct: msg.payload,
format: ChemicalMimeType.Mol
};
resolve(result);
} else {
reject(msg.error);
}
};
var commandData = {
struct: struct,
format: format,
mode: mode,
options: _this14.getStandardServerOptions(options)
};
var inputMessage = {
type: Command.ExplicitHydrogens,
data: commandData
};
_this14.EE.removeListener(WorkerEvent.ExplicitHydrogens, action);
_this14.EE.addListener(WorkerEvent.ExplicitHydrogens, action);
_this14.worker.postMessage(inputMessage);
});
}
}, {
key: "calculateMacromoleculeProperties",
value: function calculateMacromoleculeProperties(data, options) {
var _this15 = this;
var struct = data.struct;
return new Promise(function (resolve, reject) {
var action = function action(_ref14) {
var data = _ref14.data;
var msg = data;
if (!msg.hasError) {
resolve(JSON.parse(msg.payload));
} else {
reject(msg.error);
}
};
var commandData = {
struct: struct,
options: _objectSpread(_objectSpread({}, _this15.getStandardServerOptions(options)), {}, {
upc: options === null || options === void 0 ? void 0 : options.upc,
nac: options === null || options === void 0 ? void 0 : options.nac
})
};
var inputMessage = {
type: Command.CalculateMacromoleculeProperties,
data: commandData
};
_this15.EE.removeAllListeners(WorkerEvent.CalculateMacromoleculeProperties);
_this15.EE.addListener(WorkerEvent.CalculateMacromoleculeProperties, action);
_this15.worker.postMessage(inputMessage);
});
}
}, {
key: "destroy",
value: function destroy() {
this.worker.terminate();
this.worker.onmessage = null;
}
}]);
return IndigoService;
}();
var StandaloneStructServiceProvider = function () {
function StandaloneStructServiceProvider() {
_classCallCheck(this, StandaloneStructServiceProvider);
_defineProperty(this, "mode", 'standalone');
}
_createClass(StandaloneStructServiceProvider, [{
key: "createStructService",
value: function createStructService(options) {
return new IndigoService(options);
}
}]);
return StandaloneStructServiceProvider;
}();
export { STRUCT_SERVICE_INITIALIZED_EVENT, STRUCT_SERVICE_NO_RENDER_INITIALIZED_EVENT, IndigoService as StandaloneStructService, StandaloneStructServiceProvider };
//# sourceMappingURL=main.js.map