ketcher-react 3.8.0-rc.1 → 3.8.0-rc.2

package/dist/index.js

@@ -27,7 +27,7 @@ import 'url-search-params-polyfill';
 import 'whatwg-fetch';
 import _classCallCheck$2 from '@babel/runtime/helpers/classCallCheck';
 import _createClass$2 from '@babel/runtime/helpers/createClass';
-import { KetSerializer, MolSerializer, KetcherLogger, ketcherProvider, defaultBondThickness, isClipboardAPIAvailable, notifyCopyCut, notifyRequestCompleted, isControlKey, StereLabelStyleType, StereoColoringType, ShowHydrogenLabels, ShowHydrogenLabelNames, SettingsManager, SdfSerializer, KETCHER_SAVED_OPTIONS_KEY, SUPERATOM_CLASS, Bond as Bond$2, Elements, AtomList, getAtomType, StereoLabel, isAttachmentBond, Atom as Atom$2, findStereoAtoms, RxnArrowMode, MULTITAIL_ARROW_TOOL_NAME, CREATE_MONOMER_TOOL_NAME, SimpleObjectMode, IMAGE_KEY, SGroup as SGroup$1, identifyStructFormat, SupportedFormat, FormatterFactory, MULTITAIL_ARROW_KEY, ChemicalMimeType, RenderStruct, Struct, ZoomTool, KETCHER_MACROMOLECULES_ROOT_NODE_SELECTOR, shortcutStr, MonomerMicromolecule, UnresolvedMonomer, FunctionalGroupsProvider, SaltsAndSolventsProvider, KetcherAsyncEvents, ElementColor, generateMenuShortcuts, Vec2, Scale, fromMultipleMove, FunctionalGroup, mergeMapOfItemsToSet, fromSgroupDeletion, fromFragmentDeletion, vectorUtils, fromBondAddition, Action, fromAtomAddition, fromAtomsAttrs, checkOverlapping, fromSeveralSgroupAddition, expandSGroupWithMultipleAttachmentPoint, SgContexts, Pile, 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, removeInfoLabelFromAtoms, fromStereoFlagUpdate, fromOneAtomDeletion, fromArrowDeletion, fromPlusDeletion, fromSimpleObjectDeletion, fromRGroupAttachmentPointDeletion, fromImageDeletion, fromMultitailArrowDeletion, notifyItemsToMergeInitializationComplete, RGroup as RGroup$2, fromRGroupFragment, fromUpdateIfThen, fromRGroupAttrs, fromArrowAddition, fromMultitailArrowCreation, fromPlusAddition, getRelSGroupsBySelection, RotateMonomerOperation, fromRotate, fromFlip, fromSimpleObjectAddition, fromTextCreation, fromImageMove, fromImageCreation, fromHighlightCreate, fromHighlightClear, getOptionsWithConvertedUnits, provideEditorSettings, fromNewCanvas, Render, Coordinates, genericsList, getAttachmentPointLabel, getNextFreeAttachmentPoint, AttachmentPointName, setMonomerTemplatePrefix, getHELMClassByKetMonomerClass, fillNaturalAnalogueForPhosphateAndSugar, KetTemplateType, normalizeMonomerAtomsPositions, monomerFactory, MacromoleculesConverter, fromSgroupAddition, fromDescriptorsAlign, MonomerCreationAttachmentPointClickEvent, atomGetAttr, fromBondFlipping, setExpandMonomerSGroup, fromMultitailArrowTailAdd, MultitailArrow, fromMultitailArrowTailRemove, AmbiguousMonomer, KetMonomerClass, CoreEditor, getAttachmentPointNumberFromLabel, getAtomCustomQuery, getFormatMimeTypeByFileName, getPropertiesByFormat, StereoFlag, getPropertiesByImgFormat, legacyCopy as legacyCopy$1, b64toBlob, Generics, TextCommand, Ketcher, DefaultStructServiceOptions } from 'ketcher-core';
+import { KetSerializer, MolSerializer, KetcherLogger, ketcherProvider, defaultBondThickness, isClipboardAPIAvailable, notifyCopyCut, notifyRequestCompleted, isControlKey, StereLabelStyleType, StereoColoringType, ShowHydrogenLabels, ShowHydrogenLabelNames, SettingsManager, SdfSerializer, KETCHER_SAVED_OPTIONS_KEY, SUPERATOM_CLASS, Bond as Bond$2, Elements, AtomList, getAtomType, StereoLabel, isAttachmentBond, Atom as Atom$2, findStereoAtoms, RxnArrowMode, MULTITAIL_ARROW_TOOL_NAME, CREATE_MONOMER_TOOL_NAME, SimpleObjectMode, IMAGE_KEY, SGroup as SGroup$1, identifyStructFormat, SupportedFormat, FormatterFactory, MULTITAIL_ARROW_KEY, ChemicalMimeType, RenderStruct, Struct, ZoomTool, KETCHER_MACROMOLECULES_ROOT_NODE_SELECTOR, shortcutStr, MonomerMicromolecule, UnresolvedMonomer, FunctionalGroupsProvider, SaltsAndSolventsProvider, KetcherAsyncEvents, ElementColor, generateMenuShortcuts, Vec2, Scale, fromMultipleMove, FunctionalGroup, mergeMapOfItemsToSet, fromSgroupDeletion, fromFragmentDeletion, vectorUtils, fromBondAddition, Action, fromAtomAddition, fromAtomsAttrs, checkOverlapping, fromSeveralSgroupAddition, expandSGroupWithMultipleAttachmentPoint, SgContexts, Pile, 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, removeInfoLabelFromAtoms, fromStereoFlagUpdate, fromOneAtomDeletion, fromArrowDeletion, fromPlusDeletion, fromSimpleObjectDeletion, fromRGroupAttachmentPointDeletion, fromImageDeletion, fromMultitailArrowDeletion, notifyItemsToMergeInitializationComplete, RGroup as RGroup$2, fromRGroupFragment, fromUpdateIfThen, fromRGroupAttrs, fromArrowAddition, fromMultitailArrowCreation, fromPlusAddition, getRelSGroupsBySelection, RotateMonomerOperation, fromRotate, fromFlip, fromSimpleObjectAddition, fromTextCreation, fromImageMove, fromImageCreation, fromHighlightCreate, fromHighlightClear, getOptionsWithConvertedUnits, provideEditorSettings, fromNewCanvas, Render, Coordinates, genericsList, getAttachmentPointLabel, getNextFreeAttachmentPoint, AttachmentPointName, setMonomerTemplatePrefix, getHELMClassByKetMonomerClass, fillNaturalAnalogueForPhosphateAndSugar, KetTemplateType, normalizeMonomerAtomsPositions, monomerFactory, MacromoleculesConverter, fromSgroupAddition, fromDescriptorsAlign, MonomerCreationAttachmentPointClickEvent, atomGetAttr, fromBondFlipping, setExpandMonomerSGroup, fromMultitailArrowTailAdd, MultitailArrow, fromMultitailArrowTailRemove, AmbiguousMonomer, KetMonomerClass, AtomLabel, CoreEditor, getAttachmentPointNumberFromLabel, getAtomCustomQuery, getFormatMimeTypeByFileName, getPropertiesByFormat, StereoFlag, getPropertiesByImgFormat, legacyCopy as legacyCopy$1, b64toBlob, Generics, TextCommand, Ketcher, DefaultStructServiceOptions } from 'ketcher-core';
 export { EditorClassName, KETCHER_MACROMOLECULES_ROOT_NODE_SELECTOR } from 'ketcher-core';
 import _objectWithoutProperties from '@babel/runtime/helpers/objectWithoutProperties';
 import _possibleConstructorReturn$2 from '@babel/runtime/helpers/possibleConstructorReturn';
@@ -3787,7 +3787,7 @@ var zoom = {
 
 var openHelpLink = function openHelpLink() {
   var _window$open;
-  return (_window$open = window.open("https://github.com/epam/ketcher/blob/".concat("v3.8.0-rc.1\n", "/documentation/help.md#ketcher-overview"))) === null || _window$open === void 0 ? void 0 : _window$open.focus();
+  return (_window$open = window.open("https://github.com/epam/ketcher/blob/".concat("v3.8.0-rc.2\n", "/documentation/help.md#ketcher-overview"))) === null || _window$open === void 0 ? void 0 : _window$open.focus();
 };
 var help = {
   help: {
@@ -25403,7 +25403,6 @@ var Editor$3 = function () {
         _this2.selectedToOriginalAtomsIdMap.set(i, atomId);
       });
       var assignedAttachmentPoints = new Map();
-      var potentialAttachmentPoints = new Map();
       this.terminalRGroupAtoms.forEach(function (atomId, i) {
         var _selectedStruct$halfB;
         var selectedStructLeavingAtomId = originalToSelectedAtomsIdMap.get(atomId);
@@ -25418,32 +25417,41 @@ var Editor$3 = function () {
         assert_1(selectedStructAttachmentAtomId !== undefined);
         assignedAttachmentPoints.set(attachmentPointName, [selectedStructAttachmentAtomId, selectedStructLeavingAtomId]);
       });
-      this.potentialLeavingAtoms.forEach(function (atomId) {
-        var _selectedStruct$atoms, _selectedStruct$atoms2, _currentStruct$halfBo;
+      this.potentialLeavingAtoms.forEach(function (atomId, i) {
+        var _selectedStruct$atoms, _selectedStruct$atoms2;
         var leavingAtom = currentStruct.atoms.get(atomId);
         assert_1(leavingAtom);
+        var attachmentAtomId = -1;
+        leavingAtom.neighbors.forEach(function (halfBondId) {
+          var _selection$atoms3;
+          var halfBond = currentStruct.halfBonds.get(halfBondId);
+          assert_1(halfBond !== undefined);
+          if ((_selection$atoms3 = selection.atoms) !== null && _selection$atoms3 !== void 0 && _selection$atoms3.includes(halfBond.end)) {
+            attachmentAtomId = halfBond.end;
+          }
+        });
+        if (attachmentAtomId === -1) {
+          return;
+        }
         var selectedStructLeavingAtom = leavingAtom.clone();
         selectedStructLeavingAtom.fragment = (_selectedStruct$atoms = (_selectedStruct$atoms2 = selectedStruct.atoms.get(0)) === null || _selectedStruct$atoms2 === void 0 ? void 0 : _selectedStruct$atoms2.fragment) !== null && _selectedStruct$atoms !== void 0 ? _selectedStruct$atoms : 0;
         var selectedStructLeavingAtomId = selectedStruct.atoms.add(selectedStructLeavingAtom);
         _this2.selectedToOriginalAtomsIdMap.set(selectedStructLeavingAtomId, atomId);
-        var neighborHalfBondId = leavingAtom === null || leavingAtom === void 0 ? void 0 : leavingAtom.neighbors[0];
-        assert_1(neighborHalfBondId !== undefined);
-        var attachmentAtomId = (_currentStruct$halfBo = currentStruct.halfBonds.get(neighborHalfBondId)) === null || _currentStruct$halfBo === void 0 ? void 0 : _currentStruct$halfBo.end;
-        assert_1(attachmentAtomId !== undefined);
         var selectedStructAttachmentAtomId = originalToSelectedAtomsIdMap.get(attachmentAtomId);
         assert_1(selectedStructAttachmentAtomId !== undefined);
+        _this2.selectedToOriginalAtomsIdMap.set(selectedStructAttachmentAtomId, attachmentAtomId);
         var newBond = new Bond$2({
           type: Bond$2.PATTERN.TYPE.SINGLE,
           begin: selectedStructAttachmentAtomId,
           end: selectedStructLeavingAtomId
         });
         selectedStruct.bonds.add(newBond);
-        potentialAttachmentPoints.set(selectedStructAttachmentAtomId, selectedStructLeavingAtomId);
-        _this2.selectedToOriginalAtomsIdMap.set(selectedStructAttachmentAtomId, attachmentAtomId);
+        var attachmentPointName = getAttachmentPointLabel(_this2.terminalRGroupAtoms.length + i + 1);
+        assignedAttachmentPoints.set(attachmentPointName, [selectedStructAttachmentAtomId, selectedStructLeavingAtomId]);
       });
       this.monomerCreationState = {
         assignedAttachmentPoints: assignedAttachmentPoints,
-        potentialAttachmentPoints: potentialAttachmentPoints
+        potentialAttachmentPoints: new Map()
       };
       this.originalStruct = currentStruct;
       this.struct(selectedStruct);
@@ -25480,8 +25488,6 @@ var Editor$3 = function () {
         leavingAtomId = _atomPairForLeavingGr2[1];
       var leavingAtom = this.render.ctab.molecule.atoms.get(leavingAtomId);
       assert_1(leavingAtom);
-      leavingAtom.label = 'H';
-      this.render.ctab.molecule.calcImplicitHydrogen(leavingAtomId);
       var attachmentPointName = getNextFreeAttachmentPoint(Array.from(this.monomerCreationState.assignedAttachmentPoints.keys()));
       this.monomerCreationState.assignedAttachmentPoints.set(attachmentPointName, atomPairForLeavingGroup);
       this.monomerCreationState.potentialAttachmentPoints["delete"](attachmentAtomId);
@@ -25501,8 +25507,8 @@ var Editor$3 = function () {
   }, {
     key: "saveNewMonomer",
     value: function saveNewMonomer(data) {
-      var _this$originalSelecti,
-        _this3 = this;
+      var _this3 = this,
+        _this$originalSelecti;
       if (!this.monomerCreationState) {
         throw new Error('Monomer creation wizard is not active, cannot save new monomer');
       }
@@ -25555,6 +25561,20 @@ var Editor$3 = function () {
         Monomer = _monomerFactory2[0];
       var monomerPosition = new Vec2((this.selectionBBox.min.x + this.selectionBBox.max.x) / 2, (this.selectionBBox.min.y + this.selectionBBox.max.y) / 2);
       var monomer = new Monomer(monomerItem, monomerPosition);
+      var finalAttachmentPoints = this.monomerCreationState.assignedAttachmentPoints;
+      finalAttachmentPoints.forEach(function (atomPair) {
+        var _atomPair2 = _slicedToArray$1(atomPair, 2),
+          leavingAtomId = _atomPair2[1];
+        var leavingAtom = _this3.struct().atoms.get(leavingAtomId);
+        assert_1(leavingAtom);
+        var originalLeavingAtomId = _this3.selectedToOriginalAtomsIdMap.get(leavingAtomId);
+        assert_1(originalLeavingAtomId);
+        var originalLeavingAtom = _this3.originalStruct.atoms.get(originalLeavingAtomId);
+        assert_1(originalLeavingAtom);
+        originalLeavingAtom.rglabel = null;
+        originalLeavingAtom.label = leavingAtom.label;
+        _this3.originalStruct.calcImplicitHydrogen(originalLeavingAtomId);
+      });
       this.closeMonomerCreationWizard();
       (_this$originalSelecti = this.originalSelection.atoms) === null || _this$originalSelecti === void 0 || _this$originalSelecti.forEach(function (atomId) {
         var atom = _this3.render.ctab.molecule.atoms.get(atomId);
@@ -26441,20 +26461,22 @@ var useMakeLeavingGroupAtomMenuItem = function useMakeLeavingGroupAtomMenuItem(_
   };
   return isAtomAssignedAttachmentPoint ? jsxs(Fragment, {
     children: [jsxs(Item, {
+      "data-testid": "edit-connection-point",
+      onClick: handleEditClick,
       children: [jsx(Icon, {
         name: "editMenu",
-        className: styles$m.icon,
-        onClick: handleEditClick
+        className: styles$m.icon
       }), "Edit connection point"]
     }), jsxs(Item, {
+      "data-testid": "remove-assignment",
+      onClick: handleRemoveClick,
       children: [jsx(Icon, {
         name: "deleteMenu",
-        className: styles$m.icon,
-        onClick: handleRemoveClick
+        className: styles$m.icon
       }), "Remove assignment"]
     })]
   }) : jsxs(Item, _objectSpread$S(_objectSpread$S({}, props), {}, {
-    "data-testid": "Assign as a leaving group",
+    "data-testid": "assign-as-a-leaving-group",
     onClick: handleMakeLeavingGroupAtomClick,
     disabled: attachmentPointsLimitReached,
     children: [jsx(Icon, {
@@ -28555,19 +28577,19 @@ var attachmentPointNameOptions = Array.from({
   };
 });
 var attachmentPointAtomOptions = [{
-  value: 'H',
+  value: AtomLabel.H,
   label: 'H'
 }, {
-  value: 'O',
+  value: AtomLabel.O,
   label: 'OH'
 }, {
-  value: 'N',
+  value: AtomLabel.N,
   label: 'NH2'
 }, {
-  value: 'Cl',
+  value: AtomLabel.Cl,
   label: 'Cl'
 }, {
-  value: 'F',
+  value: AtomLabel.F,
   label: 'F'
 }];
 var AttachmentPointEditPopup = function AttachmentPointEditPopup(_ref) {
@@ -37089,8 +37111,8 @@ var KetcherBuilder = function () {
                 cleanup = initApp(prevKetcherId, ketcherId, element, appRoot, staticResourcesUrl, {
                   buttons: buttons || {},
                   errorHandler: errorHandler || null,
-                  version: "3.8.0-rc.1" ,
-                  buildDate: "2025-09-03T08:19:34" ,
+                  version: "3.8.0-rc.2" ,
+                  buildDate: "2025-09-05T18:59:48" ,
                   buildNumber: '',
                   customButtons: customButtons || []
                 }, structService, resolve, togglerComponent);
@@ -37385,7 +37407,7 @@ var ModeControl = function ModeControl(_ref3) {
 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$1(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; }
 var MacromoleculesEditorComponent = lazy(function () {
-  return import('./index.modern-1aebb8e6.js');
+  return import('./index.modern-7694d091.js');
 });
 var Editor = function Editor(props) {
   var _useState = useState(false),