ketcher-macromolecules 2.21.0-rc.2 → 2.21.0

package/dist/index.js

@@ -497,10 +497,12 @@ var initialState = {
   sequenceSelectionName: undefined,
   isSequenceFirstsOnlyNucleotidesSelected: undefined,
   activePresetMonomerGroup: null,
+  groupItemValidations: _defineProperty__default["default"](_defineProperty__default["default"](_defineProperty__default["default"]({}, exports.MonomerGroups.BASES, []), exports.MonomerGroups.SUGARS, []), exports.MonomerGroups.PHOSPHATES, []),
   presets: [],
   activeRnaBuilderItem: null,
   isEditMode: false,
   uniqueNameError: '',
+  invalidPresetError: '',
   activePresetForContextMenu: null
 };
 var monomerGroupToPresetGroup = _defineProperty__default["default"](_defineProperty__default["default"](_defineProperty__default["default"]({}, exports.MonomerGroups.BASES, 'base'), exports.MonomerGroups.SUGARS, 'sugar'), exports.MonomerGroups.PHOSPHATES, 'phosphate');
@@ -539,6 +541,15 @@ var rnaBuilderSlice = toolkit.createSlice({
     setActiveRnaBuilderItem: function setActiveRnaBuilderItem(state, action) {
       state.activeRnaBuilderItem = action.payload;
     },
+    setSugarValidations: function setSugarValidations(state, action) {
+      state.groupItemValidations[exports.MonomerGroups.SUGARS] = action.payload;
+    },
+    setBaseValidations: function setBaseValidations(state, action) {
+      state.groupItemValidations[exports.MonomerGroups.BASES] = action.payload;
+    },
+    setPhosphateValidations: function setPhosphateValidations(state, action) {
+      state.groupItemValidations[exports.MonomerGroups.PHOSPHATES] = action.payload;
+    },
     setActivePresetMonomerGroup: function setActivePresetMonomerGroup(state, action) {
       state.activePresetMonomerGroup = action.payload;
     },
@@ -573,6 +584,9 @@ var rnaBuilderSlice = toolkit.createSlice({
     setUniqueNameError: function setUniqueNameError(state, action) {
       state.uniqueNameError = action.payload;
     },
+    setInvalidPresetError: function setInvalidPresetError(state, action) {
+      state.invalidPresetError = action.payload;
+    },
     setDefaultPresets: function setDefaultPresets(state, action) {
       var defaultNucleotide = action.payload[0];
       if (!defaultNucleotide) {
@@ -634,6 +648,9 @@ var rnaBuilderSlice = toolkit.createSlice({
 var selectActiveRnaBuilderItem = function selectActiveRnaBuilderItem(state) {
   return state.rnaBuilder.activeRnaBuilderItem;
 };
+var selectGroupItemValidations = function selectGroupItemValidations(state) {
+  return state.rnaBuilder.groupItemValidations;
+};
 var selectActivePreset = function selectActivePreset(state) {
   return state.rnaBuilder.activePreset;
 };
@@ -657,7 +674,7 @@ var selectActivePresetMonomerGroup = function selectActivePresetMonomerGroup(sta
   return state.rnaBuilder.activePresetMonomerGroup;
 };
 var selectIsPresetReadyToSave = function selectIsPresetReadyToSave(preset) {
-  return Boolean((preset.phosphate || preset.sugar || preset.base) && preset.name);
+  return Boolean(preset.name && preset.sugar && (preset.base || preset.phosphate));
 };
 var selectIsEditMode = function selectIsEditMode(state) {
   return state.rnaBuilder.isEditMode;
@@ -682,6 +699,9 @@ var selectPresetFullName = function selectPresetFullName(preset) {
 var selectUniqueNameError = function selectUniqueNameError(state) {
   return state.rnaBuilder.uniqueNameError;
 };
+var selectInvalidPresetError = function selectInvalidPresetError(state) {
+  return state.rnaBuilder.invalidPresetError;
+};
 var selectIsActivePresetNewAndEmpty = function selectIsActivePresetNewAndEmpty(state) {
   var activePreset = state.rnaBuilder.activePreset;
   return activePreset && !activePreset.presetInList && !activePreset.name && !activePreset.sugar && !activePreset.base && !activePreset.phosphate;
@@ -715,12 +735,16 @@ var _rnaBuilderSlice$acti = rnaBuilderSlice.actions,
   setIsSequenceFirstsOnlyNucleotidesSelected = _rnaBuilderSlice$acti.setIsSequenceFirstsOnlyNucleotidesSelected;
   _rnaBuilderSlice$acti.setActivePresetName;
   var setActiveRnaBuilderItem = _rnaBuilderSlice$acti.setActiveRnaBuilderItem,
+  setSugarValidations = _rnaBuilderSlice$acti.setSugarValidations,
+  setBaseValidations = _rnaBuilderSlice$acti.setBaseValidations,
+  setPhosphateValidations = _rnaBuilderSlice$acti.setPhosphateValidations,
   setActivePresetMonomerGroup = _rnaBuilderSlice$acti.setActivePresetMonomerGroup,
   savePreset = _rnaBuilderSlice$acti.savePreset,
   deletePreset = _rnaBuilderSlice$acti.deletePreset,
   createNewPreset = _rnaBuilderSlice$acti.createNewPreset,
   setIsEditMode = _rnaBuilderSlice$acti.setIsEditMode,
   setUniqueNameError = _rnaBuilderSlice$acti.setUniqueNameError,
+  setInvalidPresetError = _rnaBuilderSlice$acti.setInvalidPresetError,
   setDefaultPresets = _rnaBuilderSlice$acti.setDefaultPresets,
   setActivePresetForContextMenu = _rnaBuilderSlice$acti.setActivePresetForContextMenu,
   togglePresetFavorites = _rnaBuilderSlice$acti.togglePresetFavorites,
@@ -1733,6 +1757,23 @@ var MonomerGroup = function MonomerGroup(_ref) {
   var preview = useAppSelector(selectShowPreview);
   var editor = useAppSelector(selectEditor);
   var activeMonomerGroup = useAppSelector(selectActiveRnaBuilderItem);
+  var activeGroupItemValidations = useAppSelector(selectGroupItemValidations);
+  var isMonomerDisabled = function isMonomerDisabled(monomer) {
+    var monomerDisabled = false;
+    if (disabled) {
+      monomerDisabled = disabled;
+    } else {
+      var monomerValidations = activeGroupItemValidations["".concat(monomer.props.MonomerClass, "s")];
+      if ((monomerValidations === null || monomerValidations === void 0 ? void 0 : monomerValidations.length) > 0 && monomer.props.MonomerCaps) {
+        for (var i = 0; i < monomerValidations.length; i++) {
+          if (!(monomerValidations[i] in monomer.props.MonomerCaps)) {
+            monomerDisabled = true;
+          }
+        }
+      }
+    }
+    return monomerDisabled;
+  };
   var _useState = React.useState(null),
     _useState2 = _slicedToArray__default["default"](_useState, 2),
     selectedItemInGroup = _useState2[0],
@@ -1788,7 +1829,7 @@ var MonomerGroup = function MonomerGroup(_ref) {
       children: items.map(function (monomer) {
         var key = monomer.props ? "".concat(monomer.props.MonomerName + monomer.props.Name) : monomer.label;
         return jsxRuntime.jsx(MonomerItem, {
-          disabled: disabled,
+          disabled: isMonomerDisabled(monomer),
           item: monomer,
           groupName: groupName,
           isSelected: isMonomerSelected(monomer),
@@ -2027,8 +2068,36 @@ var RnaPresetGroup = function RnaPresetGroup(_ref) {
     }),
     show = _useContextMenu.show;
   var dispatch = reactRedux.useDispatch();
+  var validatePreset = function validatePreset(preset) {
+    var _preset$base, _preset$sugar, _preset$phosphate;
+    var isBaseValid = true;
+    var isSugarValid = true;
+    var isPhosphateValid = true;
+    if (preset !== null && preset !== void 0 && (_preset$base = preset.base) !== null && _preset$base !== void 0 && (_preset$base = _preset$base.props) !== null && _preset$base !== void 0 && _preset$base.MonomerCaps) {
+      isBaseValid = 'R1' in preset.base.props.MonomerCaps;
+    }
+    if (preset !== null && preset !== void 0 && (_preset$sugar = preset.sugar) !== null && _preset$sugar !== void 0 && (_preset$sugar = _preset$sugar.props) !== null && _preset$sugar !== void 0 && _preset$sugar.MonomerCaps) {
+      var _preset$base2;
+      if (isBaseValid && preset !== null && preset !== void 0 && (_preset$base2 = preset.base) !== null && _preset$base2 !== void 0 && (_preset$base2 = _preset$base2.props) !== null && _preset$base2 !== void 0 && _preset$base2.MonomerCaps) {
+        isSugarValid = 'R3' in preset.sugar.props.MonomerCaps;
+      }
+    }
+    if (preset !== null && preset !== void 0 && (_preset$phosphate = preset.phosphate) !== null && _preset$phosphate !== void 0 && (_preset$phosphate = _preset$phosphate.props) !== null && _preset$phosphate !== void 0 && _preset$phosphate.MonomerCaps) {
+      var _preset$sugar2;
+      isPhosphateValid = 'R1' in preset.phosphate.props.MonomerCaps;
+      if (isSugarValid && preset !== null && preset !== void 0 && (_preset$sugar2 = preset.sugar) !== null && _preset$sugar2 !== void 0 && (_preset$sugar2 = _preset$sugar2.props) !== null && _preset$sugar2 !== void 0 && _preset$sugar2.MonomerCaps) {
+        isSugarValid = 'R2' in preset.sugar.props.MonomerCaps;
+      }
+    }
+    return isBaseValid && isSugarValid && isPhosphateValid;
+  };
   var selectPreset = function selectPreset(preset) {
     return function () {
+      var isPresetValid = validatePreset(preset);
+      if (!isPresetValid && preset.name) {
+        dispatch(setInvalidPresetError(preset.name));
+        return;
+      }
       dispatch(setActivePreset(preset));
       editor.events.selectPreset.dispatch(preset);
       if (preset === (activePreset === null || activePreset === void 0 ? void 0 : activePreset.presetInList)) return;
@@ -2815,11 +2884,39 @@ var RnaEditorExpanded = function RnaEditorExpanded(_ref) {
   var selectGroup = function selectGroup(selectedGroup) {
     return function () {
       var selectedRNAPartMonomer = selectCurrentMonomerGroup(newPreset, selectedGroup);
+      var sugarValidaions = [];
+      var phosphateValidaions = [];
+      var baseValidaions = [];
       if (selectedRNAPartMonomer) {
         editor.events.selectMonomer.dispatch(selectedRNAPartMonomer);
       }
+      if (selectedGroup === exports.MonomerGroups.SUGARS) {
+        if (newPreset.phosphate) {
+          sugarValidaions.push('R2');
+        }
+        if (newPreset.base) {
+          sugarValidaions.push('R3');
+        }
+      }
+      if (selectedGroup === exports.MonomerGroups.BASES) {
+        var _newPreset$sugar;
+        baseValidaions.push('R1');
+        if (newPreset !== null && newPreset !== void 0 && (_newPreset$sugar = newPreset.sugar) !== null && _newPreset$sugar !== void 0 && (_newPreset$sugar = _newPreset$sugar.props) !== null && _newPreset$sugar !== void 0 && _newPreset$sugar.MonomerCaps && !('R3' in newPreset.sugar.props.MonomerCaps)) {
+          baseValidaions.push('DISABLED');
+        }
+      }
+      if (selectedGroup === exports.MonomerGroups.PHOSPHATES) {
+        var _newPreset$sugar2;
+        phosphateValidaions.push('R1');
+        if (newPreset !== null && newPreset !== void 0 && (_newPreset$sugar2 = newPreset.sugar) !== null && _newPreset$sugar2 !== void 0 && (_newPreset$sugar2 = _newPreset$sugar2.props) !== null && _newPreset$sugar2 !== void 0 && _newPreset$sugar2.MonomerCaps && !('R2' in newPreset.sugar.props.MonomerCaps)) {
+          phosphateValidaions.push('DISABLED');
+        }
+      }
       scrollToActiveItemInLibrary(selectedGroup);
       dispatch(setActiveRnaBuilderItem(selectedGroup));
+      dispatch(setSugarValidations(sugarValidaions));
+      dispatch(setPhosphateValidations(phosphateValidaions));
+      dispatch(setBaseValidations(baseValidaions));
     };
   };
   var onChangeName = function onChangeName(event) {
@@ -3287,8 +3384,14 @@ var RnaBuilder = function RnaBuilder(_ref) {
     editPreset = _ref.editPreset;
   var dispatch = useAppDispatch();
   var uniqueNameError = useAppSelector(selectUniqueNameError);
+  var invalidPresetError = useAppSelector(selectInvalidPresetError);
   var closeErrorModal = function closeErrorModal() {
-    dispatch(setUniqueNameError(''));
+    if (uniqueNameError.length > 0) {
+      dispatch(setUniqueNameError(''));
+    }
+    if (invalidPresetError.length > 0) {
+      dispatch(setInvalidPresetError(''));
+    }
   };
   return jsxRuntime.jsxs(RnaBuilderContainer, {
     children: [jsxRuntime.jsx(RnaEditor, {
@@ -3298,11 +3401,16 @@ var RnaBuilder = function RnaBuilder(_ref) {
       duplicatePreset: duplicatePreset,
       editPreset: editPreset
     }), jsxRuntime.jsxs(Modal, {
-      isOpen: !!uniqueNameError,
+      isOpen: !!uniqueNameError || !!invalidPresetError,
       title: "Error Message",
       onClose: closeErrorModal,
-      children: [jsxRuntime.jsxs(Modal.Content, {
-        children: ["Preset with name \"", uniqueNameError, "\" already exists. Please choose another name."]
+      children: [jsxRuntime.jsx(Modal.Content, {
+        children: jsxRuntime.jsxs("div", {
+          style: {
+            padding: '12px'
+          },
+          children: [uniqueNameError && "Preset with name \"".concat(uniqueNameError, "\" already exists. Please choose another name."), invalidPresetError && "Preset with name \"".concat(invalidPresetError, "\" can't be used. Because it is impossible to establish bonds between monomers. Edit it's structure or choose another one.")]
+        })
       }), jsxRuntime.jsx(Modal.Footer, {
         children: jsxRuntime.jsx(StyledButton$1, {
           onClick: closeErrorModal,