ketcher-react 2.28.0-rc.3 → 3.0.0-rc.1

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
@@ -24,7 +24,7 @@ import _asyncToGenerator from '@babel/runtime/helpers/asyncToGenerator';
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  import _regeneratorRuntime from '@babel/runtime/regenerator';
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  import _classCallCheck$2 from '@babel/runtime/helpers/classCallCheck';
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  import _createClass$2 from '@babel/runtime/helpers/createClass';
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- import { KetSerializer, MolSerializer, KetcherLogger, Ketcher, defaultBondThickness, FormatterFactory, isClipboardAPIAvailable, notifyCopyCut, notifyRequestCompleted, isControlKey, StereLabelStyleType, StereoColoringType, ShowHydrogenLabels, ShowHydrogenLabelNames, SettingsManager, SdfSerializer, KETCHER_SAVED_OPTIONS_KEY, Bond as Bond$2, Elements, AtomList, getAtomType, StereoLabel, isAttachmentBond, Atom as Atom$2, findStereoAtoms, RxnArrowMode, MULTITAIL_ARROW_TOOL_NAME, SimpleObjectMode, IMAGE_KEY, SGroup as SGroup$1, Pile, identifyStructFormat, SupportedFormat, MULTITAIL_ARROW_KEY, ChemicalMimeType, RenderStruct, Struct, ZoomTool, shortcutStr, MonomerMicromolecule, UnresolvedMonomer, FunctionalGroupsProvider, SaltsAndSolventsProvider, KetcherAsyncEvents, ElementColor, ketcherProvider, generateMenuShortcuts, Vec2, Scale, fromMultipleMove, FunctionalGroup, mergeMapOfItemsToSet, fromSgroupDeletion, fromFragmentDeletion, vectorUtils, fromBondAddition, Action, fromAtomAddition, fromAtomsAttrs, checkOverlapping, fromSeveralSgroupAddition, expandSGroupWithMultipleAttachmentPoint, SgContexts, fromSgroupAction, fromItemsFuse, ReBond, setExpandSGroup, fromBondsAttrs, OperationType, ReStruct, imageReferencePositionToCursor, multitailArrowReferenceLinesToCursor, multitailReferencePositionToCursor, CoordinateTransformation, MultitailArrowRefName, fromMultitailArrowHeadTailMove, fromMultitailArrowHeadTailsResize, fromMultitailArrowMove, fromArrowResizing, fromPaste, fromImageResize, fromSimpleObjectResizing, getItemsToFuse, getHoverToFuse, fromTextDeletion, fromTextUpdating, fromTemplateOnCanvas, fromTemplateOnBondAction, fromTemplateOnAtom, BondAttr, AtomAttr, formatProperties, runAsyncAction, getStructStringFromClipboardData, getStructure, initHotKeys, keyNorm, Fragment as Fragment$1, fromRGroupAttachmentPointUpdate, fromOneBondDeletion, bondChangingAction, fromChain, fromStereoFlagUpdate, fromOneAtomDeletion, fromArrowDeletion, fromPlusDeletion, fromSimpleObjectDeletion, fromRGroupAttachmentPointDeletion, fromImageDeletion, fromMultitailArrowDeletion, notifyItemsToMergeInitializationComplete, RGroup as RGroup$2, fromRGroupFragment, fromUpdateIfThen, fromRGroupAttrs, fromArrowAddition, fromMultitailArrowCreation, fromPlusAddition, fromRotate, fromFlip, fromSimpleObjectAddition, fromTextCreation, fromImageMove, fromImageCreation, fromHighlightCreate, fromHighlightClear, getOptionsWithConvertedUnits, provideEditorSettings, fromNewCanvas, Render, fromDescriptorsAlign, fromSgroupAttachmentPointAddition, SGroupAttachmentPoint, fromSgroupAddition, atomGetAttr, fromBondFlipping, fromMultitailArrowTailAdd, MultitailArrow, fromMultitailArrowTailRemove, setExpandMonomerSGroup, AmbiguousMonomer, genericsList, getAtomCustomQuery, getFormatMimeTypeByFileName, getPropertiesByFormat, StereoFlag, getPropertiesByImgFormat, legacyCopy as legacyCopy$1, b64toBlob, Generics, TextCommand, DefaultStructServiceOptions } from 'ketcher-core';
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+ import { KetSerializer, MolSerializer, KetcherLogger, Ketcher, defaultBondThickness, FormatterFactory, isClipboardAPIAvailable, notifyCopyCut, notifyRequestCompleted, isControlKey, StereLabelStyleType, StereoColoringType, ShowHydrogenLabels, ShowHydrogenLabelNames, SettingsManager, SdfSerializer, KETCHER_SAVED_OPTIONS_KEY, Bond as Bond$2, Elements, AtomList, getAtomType, StereoLabel, isAttachmentBond, Atom as Atom$2, findStereoAtoms, RxnArrowMode, MULTITAIL_ARROW_TOOL_NAME, SimpleObjectMode, IMAGE_KEY, SGroup as SGroup$1, Pile, identifyStructFormat, SupportedFormat, MULTITAIL_ARROW_KEY, ChemicalMimeType, RenderStruct, Struct, ZoomTool, shortcutStr, MonomerMicromolecule, UnresolvedMonomer, FunctionalGroupsProvider, SaltsAndSolventsProvider, KetcherAsyncEvents, ElementColor, ketcherProvider, generateMenuShortcuts, Vec2, Scale, fromMultipleMove, FunctionalGroup, mergeMapOfItemsToSet, fromSgroupDeletion, fromFragmentDeletion, vectorUtils, fromBondAddition, Action, fromAtomAddition, fromAtomsAttrs, checkOverlapping, fromSeveralSgroupAddition, expandSGroupWithMultipleAttachmentPoint, SgContexts, fromSgroupAction, fromItemsFuse, ReBond, setExpandSGroup, fromBondsAttrs, OperationType, ReStruct, imageReferencePositionToCursor, multitailArrowReferenceLinesToCursor, multitailReferencePositionToCursor, CoordinateTransformation, MultitailArrowRefName, fromMultitailArrowHeadTailMove, fromMultitailArrowHeadTailsResize, fromMultitailArrowMove, fromArrowResizing, fromPaste, fromImageResize, fromSimpleObjectResizing, getItemsToFuse, getHoverToFuse, fromTextDeletion, fromTextUpdating, fromTemplateOnCanvas, fromTemplateOnBondAction, fromTemplateOnAtom, BondAttr, AtomAttr, formatProperties, runAsyncAction, getStructStringFromClipboardData, getStructure, initHotKeys, keyNorm, Fragment as Fragment$1, fromRGroupAttachmentPointUpdate, fromOneBondDeletion, bondChangingAction, fromChain, fromStereoFlagUpdate, fromOneAtomDeletion, fromArrowDeletion, fromPlusDeletion, fromSimpleObjectDeletion, fromRGroupAttachmentPointDeletion, fromImageDeletion, fromMultitailArrowDeletion, notifyItemsToMergeInitializationComplete, RGroup as RGroup$2, fromRGroupFragment, fromUpdateIfThen, fromRGroupAttrs, fromArrowAddition, fromMultitailArrowCreation, fromPlusAddition, fromRotate, fromFlip, fromSimpleObjectAddition, fromTextCreation, fromImageMove, fromImageCreation, fromHighlightCreate, fromHighlightClear, getOptionsWithConvertedUnits, provideEditorSettings, fromNewCanvas, Render, fromDescriptorsAlign, fromSgroupAttachmentPointAddition, SGroupAttachmentPoint, fromSgroupAddition, atomGetAttr, fromBondFlipping, setExpandMonomerSGroup, fromMultitailArrowTailAdd, MultitailArrow, fromMultitailArrowTailRemove, AmbiguousMonomer, genericsList, getAtomCustomQuery, getFormatMimeTypeByFileName, getPropertiesByFormat, StereoFlag, getPropertiesByImgFormat, legacyCopy as legacyCopy$1, b64toBlob, Generics, TextCommand, DefaultStructServiceOptions } from 'ketcher-core';
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  import * as React from 'react';
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  import React__default, { createRef, Component, useRef, useEffect, useLayoutEffect, useMemo, useState, createElement, forwardRef, useCallback, Fragment as Fragment$2, PureComponent, lazy, Suspense } from 'react';
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  import _objectWithoutProperties from '@babel/runtime/helpers/objectWithoutProperties';
@@ -898,6 +898,12 @@ var server = {
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  description: 'slider',
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  "default": true
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  },
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+ ignoreChiralFlag: {
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+ title: 'Ignore the chiral flag',
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+ type: 'boolean',
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+ description: 'slider',
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+ "default": false
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+ },
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  'ignore-stereochemistry-errors': {
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  title: 'Ignore stereochemistry errors',
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  type: 'boolean',
@@ -3737,7 +3743,7 @@ var zoom = {
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  var openHelpLink = function openHelpLink() {
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  var _window$open;
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- return (_window$open = window.open("https://github.com/epam/ketcher/blob/".concat("v2.28.0-rc.3\n", "/documentation/help.md#ketcher-overview"))) === null || _window$open === void 0 ? void 0 : _window$open.focus();
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+ return (_window$open = window.open("https://github.com/epam/ketcher/blob/".concat("v3.0.0-rc.1\n", "/documentation/help.md#ketcher-overview"))) === null || _window$open === void 0 ? void 0 : _window$open.focus();
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  };
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  var help = {
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  help: {
@@ -12901,8 +12907,8 @@ assert.strict.strict = assert.strict;
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  var calculateMonomerPreviewTop = createCalculatePreviewTopFunction(preview.height);
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  var calculateNucleoElementPreviewTop = createCalculatePreviewTopFunction(preview.heightForNucleotide);
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  function calculateTop(target, height) {
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- var _ZoomTool$instance$ca;
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- var canvasWrapperBoundingClientRect = (_ZoomTool$instance$ca = ZoomTool.instance.canvasWrapper.node()) === null || _ZoomTool$instance$ca === void 0 ? void 0 : _ZoomTool$instance$ca.getBoundingClientRect();
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+ var _ZoomTool$instance;
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+ var canvasWrapperBoundingClientRect = (_ZoomTool$instance = ZoomTool.instance) === null || _ZoomTool$instance === void 0 || (_ZoomTool$instance = _ZoomTool$instance.canvasWrapper.node()) === null || _ZoomTool$instance === void 0 ? void 0 : _ZoomTool$instance.getBoundingClientRect();
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  var canvasWrapperTopOffset = (canvasWrapperBoundingClientRect === null || canvasWrapperBoundingClientRect === void 0 ? void 0 : canvasWrapperBoundingClientRect.top) || 0;
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  var canvasWrapperBottom = (canvasWrapperBoundingClientRect === null || canvasWrapperBoundingClientRect === void 0 ? void 0 : canvasWrapperBoundingClientRect.bottom) || 0;
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  var canvasWrapperHeight = (canvasWrapperBoundingClientRect === null || canvasWrapperBoundingClientRect === void 0 ? void 0 : canvasWrapperBoundingClientRect.height) || 0;
@@ -12932,21 +12938,21 @@ var calculateAmbiguousMonomerPreviewTop = function calculateAmbiguousMonomerPrev
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  return createCalculatePreviewTopFunction(height);
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  };
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  function calculateAmbiguousMonomerPreviewLeft(initialLeft) {
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- var _ZoomTool$instance$ca2;
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- var canvasWrapperBoundingClientRect = (_ZoomTool$instance$ca2 = ZoomTool.instance.canvasWrapper.node()) === null || _ZoomTool$instance$ca2 === void 0 ? void 0 : _ZoomTool$instance$ca2.getBoundingClientRect();
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+ var _ZoomTool$instance$ca;
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+ var canvasWrapperBoundingClientRect = (_ZoomTool$instance$ca = ZoomTool.instance.canvasWrapper.node()) === null || _ZoomTool$instance$ca === void 0 ? void 0 : _ZoomTool$instance$ca.getBoundingClientRect();
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  var PREVIEW_WIDTH = 70;
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  var canvasWrapperRight = (canvasWrapperBoundingClientRect === null || canvasWrapperBoundingClientRect === void 0 ? void 0 : canvasWrapperBoundingClientRect.right) || 0;
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  var canvasWrapperLeft = (canvasWrapperBoundingClientRect === null || canvasWrapperBoundingClientRect === void 0 ? void 0 : canvasWrapperBoundingClientRect.left) || 0;
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  return initialLeft + PREVIEW_WIDTH / 2 > canvasWrapperRight ? canvasWrapperRight - PREVIEW_WIDTH : initialLeft - PREVIEW_WIDTH / 2 < canvasWrapperLeft ? canvasWrapperLeft : initialLeft - PREVIEW_WIDTH / 2;
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  }
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  var calculateBondPreviewPosition = function calculateBondPreviewPosition(bond, bondCoordinates) {
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- var _firstMonomer$rendere, _secondMonomer$render, _ZoomTool$instance;
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+ var _firstMonomer$rendere, _secondMonomer$render, _ZoomTool$instance2;
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  var firstMonomer = bond.firstMonomer,
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  secondMonomer = bond.secondMonomer;
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  assert_1(secondMonomer);
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  var firstMonomerCoordinates = (_firstMonomer$rendere = firstMonomer.renderer) === null || _firstMonomer$rendere === void 0 ? void 0 : _firstMonomer$rendere.rootBoundingClientRect;
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  var secondMonomerCoordinates = (_secondMonomer$render = secondMonomer.renderer) === null || _secondMonomer$render === void 0 ? void 0 : _secondMonomer$render.rootBoundingClientRect;
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- var canvasWrapperBoundingClientRect = (_ZoomTool$instance = ZoomTool.instance) === null || _ZoomTool$instance === void 0 || (_ZoomTool$instance = _ZoomTool$instance.canvasWrapper.node()) === null || _ZoomTool$instance === void 0 ? void 0 : _ZoomTool$instance.getBoundingClientRect();
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+ var canvasWrapperBoundingClientRect = (_ZoomTool$instance2 = ZoomTool.instance) === null || _ZoomTool$instance2 === void 0 || (_ZoomTool$instance2 = _ZoomTool$instance2.canvasWrapper.node()) === null || _ZoomTool$instance2 === void 0 ? void 0 : _ZoomTool$instance2.getBoundingClientRect();
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  var canvasWrapperBottom = (canvasWrapperBoundingClientRect === null || canvasWrapperBoundingClientRect === void 0 ? void 0 : canvasWrapperBoundingClientRect.bottom) || 0;
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  var canvasWrapperTop = (canvasWrapperBoundingClientRect === null || canvasWrapperBoundingClientRect === void 0 ? void 0 : canvasWrapperBoundingClientRect.top) || 0;
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  var canvasWrapperRight = (canvasWrapperBoundingClientRect === null || canvasWrapperBoundingClientRect === void 0 ? void 0 : canvasWrapperBoundingClientRect.right) || 0;
@@ -18907,7 +18913,7 @@ var TemplateTool = function () {
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  value: function () {
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  var _mousedown = _asyncToGenerator( _regeneratorRuntime.mark(function _callee(event) {
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  var _this$templatePreview;
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- var target, struct, _this$closestItem2, _this$closestItem3, _this$closestItem4, dragCtx, ci, bond;
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+ var target, struct, _this$closestItem2, _this$closestItem3, _this$closestItem4, _this$closestItem5, dragCtx, ci, bond;
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  return _regeneratorRuntime.wrap(function _callee$(_context) {
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  while (1) switch (_context.prev = _context.next) {
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  case 0:
@@ -18922,7 +18928,7 @@ var TemplateTool = function () {
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  bonds: [this.closestItem.id]
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  }));
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  if (
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- ((_this$closestItem4 = this.closestItem) === null || _this$closestItem4 === void 0 ? void 0 : _this$closestItem4.map) === 'functionalGroups' && FunctionalGroup.isContractedFunctionalGroup(this.closestItem.id, this.functionalGroups)) {
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+ (((_this$closestItem4 = this.closestItem) === null || _this$closestItem4 === void 0 ? void 0 : _this$closestItem4.map) === 'functionalGroups' || ((_this$closestItem5 = this.closestItem) === null || _this$closestItem5 === void 0 ? void 0 : _this$closestItem5.map) === 'sgroups') && FunctionalGroup.isContractedFunctionalGroup(this.closestItem.id, this.functionalGroups)) {
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  this.targetGroupsIds.push(this.closestItem.id);
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  }
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  }
@@ -19658,7 +19664,8 @@ function keyHandle(dispatch, getState, hotKeys, event) {
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  var actionTool = actionState.activeTool;
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  var key = keyNorm(event);
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  var group = null;
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- if (key && key.length === 1) {
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+ var hoveredItem = getHoveredItem(render.ctab);
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+ if (key && key.length === 1 && !hoveredItem) {
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  var currentlyPressedKeys = selectAbbreviationLookupValue(state);
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  var isShortcutKey = shortcutKeys.includes(key === null || key === void 0 ? void 0 : key.toLowerCase());
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  var isTheSameKey = key === currentlyPressedKeys;
@@ -19684,7 +19691,6 @@ function keyHandle(dispatch, getState, hotKeys, event) {
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  atoms: configWithNonViewOnlyActionsDisabled['atom-props'].action,
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  bonds: configWithNonViewOnlyActionsDisabled['bond-props'].action
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  };
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- var hoveredItem = getHoveredItem(render.ctab);
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  if (!hoveredItem) {
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  return;
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  }
@@ -19991,7 +19997,7 @@ function _clipData() {
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  data = _context7.sent;
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  res[ChemicalMimeType.KET] = ket;
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  type = struct.isReaction ? ChemicalMimeType.Mol : ChemicalMimeType.Rxn;
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- res['text/plain'] = data;
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+ res['text/plain'] = ket;
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  res[type] = data;
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  return _context7.abrupt("return", res);
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  case 19:
@@ -20399,7 +20405,20 @@ function findClosestSGroup(restruct, pos) {
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  var ret = null;
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  var minDist = SELECTION_DISTANCE_COEFFICIENT;
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  restruct.molecule.sgroups.forEach(function (sg, sgid) {
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- if (sg.isContracted() || sg.isSuperatomWithoutLabel) return;
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+ if (sg.isSuperatomWithoutLabel) {
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+ return;
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+ }
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+ if (sg.isContracted()) {
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+ var sGroupPosition = sg.pp;
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+ if (sGroupPosition) {
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+ var dist = Vec2.dist(pos, sGroupPosition);
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+ if (dist < minDist) {
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+ ret = sgid;
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+ minDist = dist;
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+ }
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+ }
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+ return;
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+ }
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  var d = sg.bracketDirection;
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  var n = d.rotateSC(1, 0);
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  var pg = new Vec2(Vec2.dot(pos, d), Vec2.dot(pos, n));
@@ -21780,7 +21799,7 @@ var EraserTool = function () {
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  this.editor.update(fromOneAtomDeletion(restruct, ci.id));
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  } else if (ci.map === 'bonds') {
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  this.editor.update(fromOneBondDeletion(restruct, ci.id));
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- } else if (ci.map === 'functionalGroups' && FunctionalGroup.isContractedFunctionalGroup(ci.id, functionalGroups)) {
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+ } else if ((ci.map === 'sgroups' || ci.map === 'functionalGroups') && FunctionalGroup.isContractedFunctionalGroup(ci.id, functionalGroups)) {
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  var _sGroup = sgroups.get(ci.id);
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  this.editor.update(fromFragmentDeletion(rnd.ctab, {
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  atoms: _toConsumableArray(SGroup$1.getAtoms(molecule, _sGroup === null || _sGroup === void 0 ? void 0 : _sGroup.item)),
@@ -25949,7 +25968,7 @@ var useFunctionalGroupEoc = function useFunctionalGroupEoc() {
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  var selectedFunctionalGroups = props === null || props === void 0 ? void 0 : props.functionalGroups;
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  var action = new Action();
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  selectedFunctionalGroups === null || selectedFunctionalGroups === void 0 || selectedFunctionalGroups.forEach(function (functionalGroup) {
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- action.mergeWith(setExpandSGroup(molecule, functionalGroup.relatedSGroupId, {
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+ action.mergeWith(setExpandMonomerSGroup(molecule, functionalGroup.relatedSGroupId, {
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  expanded: toExpand
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  }));
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  });
@@ -25967,16 +25986,7 @@ var useFunctionalGroupEoc = function useFunctionalGroupEoc() {
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  return toExpand ? functionalGroup.isExpanded : !functionalGroup.isExpanded;
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  }));
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  }, []);
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- var disabled = useCallback(function (_ref3) {
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- var _props$functionalGrou2;
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- var props = _ref3.props;
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- var editor = getKetcherInstance().editor;
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- var molecule = editor.render.ctab.molecule;
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- return Boolean(props === null || props === void 0 || (_props$functionalGrou2 = props.functionalGroups) === null || _props$functionalGrou2 === void 0 ? void 0 : _props$functionalGrou2.every(function (functionalGroup) {
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- return functionalGroup === null || functionalGroup === void 0 ? void 0 : functionalGroup.relatedSGroup.isNotContractible(molecule);
25977
- }));
25978
- }, []);
25979
- return [handler, hidden, disabled];
25989
+ return [handler, hidden];
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  };
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  var useFunctionalGroupRemove = function useFunctionalGroupRemove() {
@@ -26004,16 +26014,12 @@ function ownKeys$M(e, r) { var t = Object.keys(e); if (Object.getOwnPropertySymb
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  function _objectSpread$M(e) { for (var r = 1; r < arguments.length; r++) { var t = null != arguments[r] ? arguments[r] : {}; r % 2 ? ownKeys$M(Object(t), !0).forEach(function (r) { _defineProperty$1(e, r, t[r]); }) : Object.getOwnPropertyDescriptors ? Object.defineProperties(e, Object.getOwnPropertyDescriptors(t)) : ownKeys$M(Object(t)).forEach(function (r) { Object.defineProperty(e, r, Object.getOwnPropertyDescriptor(t, r)); }); } return e; }
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  var FunctionalGroupMenuItems = function FunctionalGroupMenuItems(props) {
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  var _useFunctionalGroupEo = useFunctionalGroupEoc(),
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- _useFunctionalGroupEo2 = _slicedToArray$1(_useFunctionalGroupEo, 3),
26017
+ _useFunctionalGroupEo2 = _slicedToArray$1(_useFunctionalGroupEo, 2),
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  handleExpandOrContract = _useFunctionalGroupEo2[0],
26009
- ExpandOrContractHidden = _useFunctionalGroupEo2[1],
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- ExpandOrContractDisabled = _useFunctionalGroupEo2[2];
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+ ExpandOrContractHidden = _useFunctionalGroupEo2[1];
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  var handleRemove = useFunctionalGroupRemove();
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  return jsxs(Fragment, {
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  children: [jsx(Item, _objectSpread$M(_objectSpread$M({}, props), {}, {
26014
- disabled: function disabled(params) {
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- return ExpandOrContractDisabled(params);
26016
- },
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  hidden: function hidden(params) {
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  return ExpandOrContractHidden(params, true);
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  },
@@ -26022,9 +26028,6 @@ var FunctionalGroupMenuItems = function FunctionalGroupMenuItems(props) {
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  },
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  children: "Expand Abbreviation"
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  })), jsx(Item, _objectSpread$M(_objectSpread$M({}, props), {}, {
26025
- disabled: function disabled(params) {
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- return ExpandOrContractDisabled(params);
26027
- },
26028
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  hidden: function hidden(params) {
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  return ExpandOrContractHidden(params, false);
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  },
@@ -34964,8 +34967,8 @@ var KetcherBuilder = function () {
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  cleanup = initApp(element, appRoot, staticResourcesUrl, {
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  buttons: buttons || {},
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  errorHandler: errorHandler || null,
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- version: "2.28.0-rc.3" ,
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- buildDate: "2024-12-11T14:41:49" ,
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+ version: "3.0.0-rc.1" ,
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+ buildDate: "2024-12-31T12:39:38" ,
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  buildNumber: '',
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  customButtons: customButtons || []
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  }, structService, resolve, togglerComponent);