ketcher-react 2.8.0-rc.4 → 2.8.0-rc.6

package/dist/index.js

@@ -2990,7 +2990,10 @@ var templateLib = {
     shortcut: 'Shift+t',
     title: 'Custom Templates',
     action: {
-      dialog: 'templates'
+      dialog: 'templates',
+      prop: {
+        tab: null
+      }
     },
     selected: function selected(editor) {
       return editor._tool.mode === 'classic';
@@ -3070,7 +3073,7 @@ var zoom = {
 
 var openHelpLink = function openHelpLink() {
   var _window$open;
-  return (_window$open = window.open("https://github.com/epam/ketcher/blob/".concat("v2.8.0-rc.4\n", "/documentation/help.md#ketcher-overview"))) === null || _window$open === void 0 ? void 0 : _window$open.focus();
+  return (_window$open = window.open("https://github.com/epam/ketcher/blob/".concat("v2.8.0-rc.6\n", "/documentation/help.md#ketcher-overview"))) === null || _window$open === void 0 ? void 0 : _window$open.focus();
 };
 var help = {
   help: {
@@ -10913,7 +10916,7 @@ var BondTool = function () {
                 existingBondId = _this$getExistingBond2[0],
                 bond = _this$getExistingBond2[1];
             dragCtx.action = ketcherCore.fromBondAddition(rnd.ctab, this.bondProps, beginAtom, endAtom, beginPos, endPos)[0];
-            if (existingBondId) {
+            if (existingBondId !== null) {
               this.dragCtx.existedBond = bond;
               this.dragCtx.action.mergeWith(ketcherCore.fromOneBondDeletion(rnd.ctab, existingBondId));
             }
@@ -11347,7 +11350,7 @@ function getElementsInRectangle(restruct, p0, p1) {
   var y1 = Math.max(p0.y, p1.y);
   restruct.bonds.forEach(function (bond, bid) {
     var centre = ketcherCore.Vec2.lc2(restruct.atoms.get(bond.b.begin).a.pp, 0.5, restruct.atoms.get(bond.b.end).a.pp, 0.5);
-    if (centre.x > x0 && centre.x < x1 && centre.y > y0 && centre.y < y1 && !ketcherCore.FunctionalGroup.isBondInContractedFunctionalGroup(bond.b, sGroups, functionalGroups, true)) {
+    if (centre.x > x0 && centre.x < x1 && centre.y > y0 && centre.y < y1 && !ketcherCore.FunctionalGroup.isBondInContractedFunctionalGroup(bond.b, sGroups, functionalGroups)) {
       bondList.push(bid);
     }
   });
@@ -11425,7 +11428,7 @@ function getElementsInPolygon(restruct, rr) {
   }
   restruct.bonds.forEach(function (bond, bid) {
     var centre = ketcherCore.Vec2.lc2(restruct.atoms.get(bond.b.begin).a.pp, 0.5, restruct.atoms.get(bond.b.end).a.pp, 0.5);
-    if (isPointInPolygon(r, centre) && !ketcherCore.FunctionalGroup.isBondInContractedFunctionalGroup(bond.b, sGroups, functionalGroups, true)) {
+    if (isPointInPolygon(r, centre) && !ketcherCore.FunctionalGroup.isBondInContractedFunctionalGroup(bond.b, sGroups, functionalGroups)) {
       bondList.push(bid);
     }
   });
@@ -11749,7 +11752,7 @@ var SGroupTool = function () {
         var _struct$bonds$get;
         var bondId = ketcherCore.FunctionalGroup.bondsInFunctionalGroup(molecule, functionalGroups, ci.id);
         var bondFromStruct = bondId !== null && ((_struct$bonds$get = struct.bonds.get(bondId)) === null || _struct$bonds$get === void 0 ? void 0 : _struct$bonds$get.b);
-        if (bondFromStruct && !ketcherCore.FunctionalGroup.isBondInContractedFunctionalGroup(bondFromStruct, sgroups, functionalGroups, true)) {
+        if (bondFromStruct && !ketcherCore.FunctionalGroup.isBondInContractedFunctionalGroup(bondFromStruct, sgroups, functionalGroups)) {
           bondResult.push(bondId);
         }
       }
@@ -12537,8 +12540,8 @@ var SelectTool = function () {
         var _struct$bonds$get;
         var bondId = ketcherCore.FunctionalGroup.bondsInFunctionalGroup(molecule, functionalGroups, ci.id);
         var bondFromStruct = bondId !== null && ((_struct$bonds$get = struct.bonds.get(bondId)) === null || _struct$bonds$get === void 0 ? void 0 : _struct$bonds$get.b);
-        if (bondId !== null && !ketcherCore.FunctionalGroup.isBondInContractedFunctionalGroup(
-        bondFromStruct, sgroups, functionalGroups, true)) bondResult.push(bondId);
+        if (bondFromStruct && !ketcherCore.FunctionalGroup.isBondInContractedFunctionalGroup(
+        bondFromStruct, sgroups, functionalGroups)) bondResult.push(bondId);
       }
       if (atomResult.length > 0) {
         var _iterator7 = _createForOfIteratorHelper$9(atomResult),
@@ -12814,7 +12817,7 @@ var EraserTool = function () {
             var bond = _step3.value;
             var bondId = ketcherCore.FunctionalGroup.bondsInFunctionalGroup(molecule, functionalGroups, bond);
             var bondFromStruct = bondId !== null && ((_struct$bonds$get = struct.bonds.get(bondId)) === null || _struct$bonds$get === void 0 ? void 0 : _struct$bonds$get.b);
-            if (bondFromStruct && !ketcherCore.FunctionalGroup.isBondInContractedFunctionalGroup(bondFromStruct, sgroups, functionalGroups, true)) {
+            if (bondFromStruct && !ketcherCore.FunctionalGroup.isBondInContractedFunctionalGroup(bondFromStruct, sgroups, functionalGroups)) {
               bondsResult.push(bondId);
             }
           }
@@ -12906,7 +12909,7 @@ var EraserTool = function () {
         var _restruct$bonds$get;
         var bondId = ketcherCore.FunctionalGroup.bondsInFunctionalGroup(molecule, functionalGroups, ci.id);
         var bondFromStruct = bondId !== null && ((_restruct$bonds$get = restruct.bonds.get(bondId)) === null || _restruct$bonds$get === void 0 ? void 0 : _restruct$bonds$get.b);
-        if (bondFromStruct && !ketcherCore.FunctionalGroup.isBondInContractedFunctionalGroup(bondFromStruct, sgroups, functionalGroups, true)) {
+        if (bondFromStruct && !ketcherCore.FunctionalGroup.isBondInContractedFunctionalGroup(bondFromStruct, sgroups, functionalGroups)) {
           bondResult.push(bondId);
         }
       }
@@ -14314,38 +14317,28 @@ var TemplateTool = function () {
         });
         return true;
       }
-      var action;
+      var action, functionalGroupRemoveAction;
       var pasteItems = null;
       if (ketcherCore.SGroup.isSaltOrSolvent(this.template.molecule.name)) {
         addSaltsAndSolventsOnCanvasWithoutMerge(restruct, this.template, dragCtx, this.editor);
         return true;
       } else if (((_ci = ci) === null || _ci === void 0 ? void 0 : _ci.map) === 'functionalGroups' && ketcherCore.FunctionalGroup.isContractedFunctionalGroup(ci.id, functionalGroups) && this.mode === 'fg') {
-        var closestGroup = this.editor.struct().sgroups.get(ci.id);
-        var isClosestGroupAttached = closestGroup && closestGroup.isGroupAttached(this.editor.struct());
-        if (isClosestGroupAttached) {
-          var groupAttachmentAtomId = this.editor.struct().atoms.find(function (atomId) {
-            var _this$editor$struct$a;
-            return !!((_this$editor$struct$a = _this.editor.struct().atomGetNeighbors(atomId)) !== null && _this$editor$struct$a !== void 0 && _this$editor$struct$a.find(function (neighbor) {
-              return neighbor.aid === closestGroup.getAttAtomId(_this.editor.struct());
-            }));
-          });
-          if (groupAttachmentAtomId !== null) {
-            var _this$editor$struct$a2;
-            var targetPos = ((_this$editor$struct$a2 = this.editor.struct().atoms.get(groupAttachmentAtomId)) === null || _this$editor$struct$a2 === void 0 ? void 0 : _this$editor$struct$a2.pp) || dragCtx.xy0;
-            var eventPos = this.editor.render.page2obj(event);
-            var dist = ketcherCore.Vec2.dist(targetPos, eventPos);
-            ci = {
-              map: 'atoms',
-              dist: dist,
-              id: groupAttachmentAtomId
-            };
-          }
-        }
-        this.editor.update(ketcherCore.fromFragmentDeletion(this.editor.render.ctab, {
-          atoms: _toConsumableArray__default["default"](ketcherCore.SGroup.getAtoms(struct, closestGroup)),
-          bonds: _toConsumableArray__default["default"](ketcherCore.SGroup.getBonds(struct, closestGroup))
+        functionalGroupRemoveAction = new ketcherCore.Action();
+        var _struct = this.editor.struct();
+        var _restruct = this.editor.render.ctab;
+        var functionalGroupToReplace = _struct.sgroups.get(ci.id);
+        var attachmentAtomId = functionalGroupToReplace.getAttAtomId(_struct);
+        var atomsWithoutAttachmentAtom = ketcherCore.SGroup.getAtoms(_struct, functionalGroupToReplace).filter(function (id) {
+          return id !== attachmentAtomId;
+        });
+        functionalGroupRemoveAction.mergeWith(ketcherCore.fromSgroupDeletion(_restruct, ci.id));
+        functionalGroupRemoveAction.mergeWith(ketcherCore.fromFragmentDeletion(_restruct, {
+          atoms: atomsWithoutAttachmentAtom
         }));
-        if (!isClosestGroupAttached) ci = null;
+        ci = {
+          map: 'atoms',
+          id: attachmentAtomId
+        };
       }
       if (!dragCtx.action) {
         if (!ci) {
@@ -14377,6 +14370,9 @@ var TemplateTool = function () {
           var _fromTemplateOnAtom4 = _slicedToArray__default["default"](_fromTemplateOnAtom3, 2);
           action = _fromTemplateOnAtom4[0];
           pasteItems = _fromTemplateOnAtom4[1];
+          if (functionalGroupRemoveAction) {
+            action = functionalGroupRemoveAction.mergeWith(action);
+          }
           dragCtx.action = action;
         } else if (ci.map === 'bonds' && this.mode !== 'fg') {
           var _promise = ketcherCore.fromTemplateOnBondAction(restruct, this.template, ci.id, this.editor.event, dragCtx.sign1 * dragCtx.sign2 > 0, true);
@@ -15298,7 +15294,7 @@ function findClosestBond(restruct, pos, skip, minDist, scale) {
     if (bid === skipId) return;
     var a1 = restruct.atoms.get(bond.b.begin).a;
     var a2 = restruct.atoms.get(bond.b.end).a;
-    if (ketcherCore.FunctionalGroup.isBondInContractedFunctionalGroup(bond.b, sGroups, functionalGroups, true)) return null;
+    if (ketcherCore.FunctionalGroup.isBondInContractedFunctionalGroup(bond.b, sGroups, functionalGroups)) return null;
     var mid = ketcherCore.Vec2.lc2(a1.pp, 0.5, a2.pp, 0.5);
     var cdist = ketcherCore.Vec2.dist(pos, mid);
     if (cdist < minCDist) {
@@ -15308,7 +15304,7 @@ function findClosestBond(restruct, pos, skip, minDist, scale) {
   });
   restruct.bonds.forEach(function (bond, bid) {
     if (bid === skipId) return;
-    if (ketcherCore.FunctionalGroup.isBondInContractedFunctionalGroup(bond.b, sGroups, functionalGroups, true)) return null;
+    if (ketcherCore.FunctionalGroup.isBondInContractedFunctionalGroup(bond.b, sGroups, functionalGroups)) return null;
     var hb = restruct.molecule.halfBonds.get(bond.b.hb1);
     var dir = hb.dir;
     var norm = hb.norm;
@@ -22775,19 +22771,15 @@ var TemplateDialog = function TemplateDialog(props) {
       onSelect = props.onSelect,
       rest = _objectWithoutProperties__default["default"](props, _excluded2);
   var searchInputRef = React.useRef(null);
-  var _useState = React.useState(initialTab),
+  var _useState = React.useState([props.group]),
       _useState2 = _slicedToArray__default["default"](_useState, 2),
-      thisInitialTab = _useState2[0],
-      setThisInitialTab = _useState2[1];
-  var _useState3 = React.useState([props.group]),
-      _useState4 = _slicedToArray__default["default"](_useState3, 2),
-      expandedAccordions = _useState4[0],
-      setExpandedAccordions = _useState4[1];
+      expandedAccordions = _useState2[0],
+      setExpandedAccordions = _useState2[1];
   var filteredSaltsAndSolvents = useSaltsAndSolvents(saltsAndSolvents, filter);
-  var _useState5 = React.useState(functionalGroups[FUNCTIONAL_GROUPS]),
-      _useState6 = _slicedToArray__default["default"](_useState5, 2),
-      filteredFG = _useState6[0],
-      setFilteredFG = _useState6[1];
+  var _useState3 = React.useState(functionalGroups[FUNCTIONAL_GROUPS]),
+      _useState4 = _slicedToArray__default["default"](_useState3, 2),
+      filteredFG = _useState4[0],
+      setFilteredFG = _useState4[1];
   var filteredTemplateLib = filterLibSelector(props);
   React.useEffect(function () {
     setFilteredFG(filterFGLib(functionalGroups, filter)[FUNCTIONAL_GROUPS]);
@@ -22797,6 +22789,11 @@ var TemplateDialog = function TemplateDialog(props) {
     (_searchInputRef$curre = searchInputRef.current) === null || _searchInputRef$curre === void 0 ? void 0 : _searchInputRef$curre.focus();
     onSelect(null);
   }, [tab, onSelect]);
+  React.useEffect(function () {
+    if (initialTab !== null) {
+      onTabChange(initialTab);
+    }
+  }, [initialTab, onTabChange]);
   var handleAccordionChange = function handleAccordionChange(accordion) {
     return function (_, isExpanded) {
       setExpandedAccordions(isExpanded ? [].concat(_toConsumableArray__default["default"](expandedAccordions), [accordion]) : _toConsumableArray__default["default"](expandedAccordions).filter(function (expandedAccordion) {
@@ -22805,7 +22802,6 @@ var TemplateDialog = function TemplateDialog(props) {
     };
   };
   var handleTabChange = function handleTabChange(value) {
-    setThisInitialTab(null);
     onTabChange(value);
   };
   var sdfSerializer = new ketcherCore.SdfSerializer();
@@ -22842,7 +22838,7 @@ var TemplateDialog = function TemplateDialog(props) {
         className: classes$8.searchIcon
       })]
     }), jsxRuntime.jsxs(Tabs__default["default"], {
-      value: thisInitialTab !== null ? initialTab : tab,
+      value: tab,
       onChange: function onChange(_, value) {
         return handleTabChange(value);
       },
@@ -22958,7 +22954,7 @@ var onModalClose = function onModalClose(props, dispatch) {
 var TemplatesDialog = reactRedux.connect(function (store) {
   var _store$modal, _store$modal$prop, _store$editor, _store$editor$render;
   return _objectSpread$4(_objectSpread$4({}, fp.omit(['attach'], store.templates)), {}, {
-    initialTab: ((_store$modal = store.modal) === null || _store$modal === void 0 ? void 0 : (_store$modal$prop = _store$modal.prop) === null || _store$modal$prop === void 0 ? void 0 : _store$modal$prop.tab) || TemplateTabs.TemplateLibrary,
+    initialTab: (_store$modal = store.modal) === null || _store$modal === void 0 ? void 0 : (_store$modal$prop = _store$modal.prop) === null || _store$modal$prop === void 0 ? void 0 : _store$modal$prop.tab,
     renderOptions: (_store$editor = store.editor) === null || _store$editor === void 0 ? void 0 : (_store$editor$render = _store$editor.render) === null || _store$editor$render === void 0 ? void 0 : _store$editor$render.options,
     functionalGroups: functionalGroupsSelector(store),
     saltsAndSolvents: saltsAndSolventsSelector(store)
@@ -23724,8 +23720,8 @@ var KetcherBuilder = function () {
                   initApp(element, staticResourcesUrl, {
                     buttons: buttons || {},
                     errorHandler: errorHandler || null,
-                    version: "2.8.0-rc.4" ,
-                    buildDate: "2023-02-22T09:16:14" ,
+                    version: "2.8.0-rc.6" ,
+                    buildDate: "2023-03-09T13:41:33" ,
                     buildNumber: ''
                   }, structService, resolve);
                 });