Merge pull request #225 from m2ms/#460

#460
m2ms · Dec 2, 2020 · bacb410 · bacb410
2 parents eb1edbd + 43363c3
commit bacb410
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Showing 5 changed files with 64 additions and 91 deletions.
diff --git a/js/components/nglView/redux/dispatchActions.js b/js/components/nglView/redux/dispatchActions.js
@@ -8,7 +8,7 @@ import { setDuckYankData, setMolGroupOn, setPanddaSiteOn } from '../../../reduce
 import * as listTypes from '../../../constants/listTypes';
 import { selectVectorAndResetCompounds } from '../../../reducers/selection/dispatchActions';
 
-export const toggleMoleculeGroup = (molGroupId, summaryViewStage, majorViewStage) => (dispatch, getState) => {
+export const toggleMoleculeGroup = (molGroupId, summaryViewStage) => (dispatch, getState) => {
   const state = getState();
   const molGroupSelection = state.selectionReducers.mol_group_selection;
   const objIdx = molGroupSelection.indexOf(molGroupId);
@@ -58,11 +58,7 @@ export const toggleMoleculeGroup = (molGroupId, summaryViewStage, majorViewStage
       throw new Error(error);
     });
     dispatch(
-      clearAfterDeselectingMoleculeGroup({
-        molGroupId,
-        currentMolGroup,
-        majorViewStage
-      })
+      clearAfterDeselectingMoleculeGroup()
     );
   }
 };
@@ -117,9 +113,9 @@ export const handleNglViewPick = (stage, pickingProxy, getNglView) => (dispatch,
       const type = name.split('_')[0];
       const pk = parseInt(name.split('_')[1], 10);
       if (type === OBJECT_TYPE.MOLECULE_GROUP && getNglView(VIEWS.MAJOR_VIEW)) {
-        dispatch(toggleMoleculeGroup(pk, stage, getNglView(VIEWS.MAJOR_VIEW).stage));
+        dispatch(toggleMoleculeGroup(pk, stage));
       } else if (type === OBJECT_TYPE.MOLGROUPS_SELECT && getNglView(VIEWS.MAJOR_VIEW)) {
-        dispatch(toggleMoleculeGroup(pk, stage, getNglView(VIEWS.MAJOR_VIEW).stage));
+        dispatch(toggleMoleculeGroup(pk, stage));
       } else if (type === listTypes.PANDDA_SITE) {
         dispatch(setPanddaSiteOn(pk));
       }

diff --git a/js/components/preview/molecule/moleculeList.js b/js/components/preview/molecule/moleculeList.js
@@ -283,18 +283,59 @@ export const MoleculeList = memo(({ height, setFilterItemsHeight, filterItemsHei
         molecule.protein_code.toLowerCase().includes(searchString.toLowerCase())
       );
     } else {
-      return getJoinedMoleculeList;
+      return [...getJoinedMoleculeList];
     }
   }, [getJoinedMoleculeList, getAllMoleculeList, searchString]);
 
+  const addSelectedMoleculesFromUnselectedSites = useCallback((joinedMoleculeLists, list) => {
+    const result = [...joinedMoleculeLists];
+    list?.forEach(moleculeID => {
+      const foundJoinedMolecule = result.find(mol => mol.id === moleculeID);
+      if (!foundJoinedMolecule) {
+        const molecule = getAllMoleculeList.find(mol => mol.id === moleculeID);
+        if (molecule) {
+          result.push(molecule);
+        }
+      }
+    });
+    return result;
+  }, [getAllMoleculeList]);
+
+  joinedMoleculeLists = useMemo(
+    () => addSelectedMoleculesFromUnselectedSites(joinedMoleculeLists, proteinList),
+    [addSelectedMoleculesFromUnselectedSites, joinedMoleculeLists, proteinList]
+  );
+  joinedMoleculeLists = useMemo(
+    () => addSelectedMoleculesFromUnselectedSites(joinedMoleculeLists, complexList),
+    [addSelectedMoleculesFromUnselectedSites, joinedMoleculeLists, complexList]
+  );
+  joinedMoleculeLists = useMemo(
+    () => addSelectedMoleculesFromUnselectedSites(joinedMoleculeLists, fragmentDisplayList),
+    [addSelectedMoleculesFromUnselectedSites, joinedMoleculeLists, fragmentDisplayList]
+  );
+  joinedMoleculeLists = useMemo(
+    () => addSelectedMoleculesFromUnselectedSites(joinedMoleculeLists, surfaceList),
+    [addSelectedMoleculesFromUnselectedSites, joinedMoleculeLists, surfaceList]
+  );
+  joinedMoleculeLists = useMemo(
+    () => addSelectedMoleculesFromUnselectedSites(joinedMoleculeLists, densityList),
+    [addSelectedMoleculesFromUnselectedSites, joinedMoleculeLists, densityList]
+  );
+  joinedMoleculeLists = useMemo(
+    () => addSelectedMoleculesFromUnselectedSites(joinedMoleculeLists, vectorOnList),
+    [addSelectedMoleculesFromUnselectedSites, joinedMoleculeLists, vectorOnList]
+  );
+
   // Used for MoleculeListSortFilterDialog when using textSearch
+  // Also used for displaying filter, since using the original would perform deadlock when creating a filter which matches
+  // 0 molecules
   const joinedMoleculeListsCopy = useMemo(() => [...joinedMoleculeLists], [joinedMoleculeLists]);
 
-  if (isActiveFilter) {
-    joinedMoleculeLists = filterMolecules(joinedMoleculeLists, filter);
-  } else {
+  if (!isActiveFilter) {
     // default sort is by site
     joinedMoleculeLists.sort((a, b) => a.site - b.site || a.number - b.number);
+  } else {
+    joinedMoleculeLists = filterMolecules(joinedMoleculeLists, filter);
   }
 
   const loadNextMolecules = () => {
@@ -405,6 +446,12 @@ export const MoleculeList = memo(({ height, setFilterItemsHeight, filterItemsHei
     }
   }, [isActiveFilter, setFilterItemsHeight]);
 
+  useEffect(() => {
+    if (!joinedMoleculeListsCopy.length) {
+      dispatch(setSortDialogOpen(false));
+    } 
+  }, [dispatch, joinedMoleculeListsCopy.length]);
+
   const handleFilterChange = filter => {
     const filterSet = Object.assign({}, filter);
     for (let attr of MOL_ATTRIBUTES) {
@@ -567,7 +614,7 @@ export const MoleculeList = memo(({ height, setFilterItemsHeight, filterItemsHei
   };
 
   const actions = [
-    <FormControl className={classes.formControl} disabled={!(object_selection || []).length || sortDialogOpen}>
+    <FormControl className={classes.formControl} disabled={!joinedMoleculeListsCopy.length || sortDialogOpen}>
       <Select
         className={classes.select}
         value={predefinedFilter}
@@ -604,7 +651,7 @@ export const MoleculeList = memo(({ height, setFilterItemsHeight, filterItemsHei
 
     <IconButton
       color={'inherit'}
-      disabled={!(object_selection || []).length}
+      disabled={!joinedMoleculeListsCopy.length}
       onClick={() => dispatch(hideAllSelectedMolecules(majorViewStage, joinedMoleculeLists))}
     >
       <Tooltip title="Hide all">
@@ -622,7 +669,7 @@ export const MoleculeList = memo(({ height, setFilterItemsHeight, filterItemsHei
         }
       }}
       color={'inherit'}
-      disabled={!(object_selection || []).length || predefinedFilter !== 'none'}
+      disabled={!joinedMoleculeListsCopy.length || predefinedFilter !== 'none'}
     >
       <Tooltip title="Filter/Sort">
         <FilterList />

diff --git a/js/components/preview/molecule/moleculeListSortFilterDialog.js b/js/components/preview/molecule/moleculeListSortFilterDialog.js
@@ -171,8 +171,9 @@ export const MoleculeListSortFilterDialog = memo(
       }
       return initObject;
     }, [joinedMoleculeLists]);
-
+    
     const [initState, setInitState] = useState(initialize());
+    filter = filter || initState;
     const [filteredCount, setFilteredCount] = useState(getFilteredMoleculesCount(joinedMoleculeLists, filter));
     const [predefinedFilter, setPredefinedFilter] = useState(filter.predefined);
 

diff --git a/js/components/preview/moleculeGroups/redux/dispatchActions.js b/js/components/preview/moleculeGroups/redux/dispatchActions.js
@@ -1,7 +1,4 @@
 import {
-  complexObjectTypes,
-  generateComplex,
-  generateMolecule,
   generateSphere
 } from '../../molecule/molecules_helpers';
 import { VIEWS } from '../../../../constants/constants';
@@ -10,19 +7,12 @@ import {
   deleteObject,
   loadObject
 } from '../../../../reducers/ngl/dispatchActions';
-import { selectJoinedMoleculeList } from '../../molecule/redux/selectors';
 import {
-  removeFromComplexList,
-  removeFromProteinList,
-  removeFromSurfaceList,
-  removeFromFragmentDisplayList,
-  removeFromVectorOnList,
   resetSelectionState,
   setComplexList,
   setFilter,
   setFragmentDisplayList,
   setMolGroupSelection,
-  setObjectSelection,
   setVectorList,
   setVectorOnList
 } from '../../../../reducers/selection/actions';
@@ -34,68 +24,11 @@ import { setSortDialogOpen } from '../../molecule/redux/actions';
 import { resetCurrentCompoundsSettings } from '../../compounds/redux/actions';
 import { reloadSession } from '../../../snapshot/redux/dispatchActions';
 
-export const clearAfterDeselectingMoleculeGroup = ({ molGroupId, currentMolGroup, majorViewStage }) => (
-  dispatch,
-  getState
+export const clearAfterDeselectingMoleculeGroup = () => (
+  dispatch
 ) => {
-  dispatch(setObjectSelection([molGroupId]));
-
-  let site;
-  const state = getState();
-  const vector_list = state.selectionReducers.vector_list;
-
-  // loop through all molecules
-  selectJoinedMoleculeList(state).forEach(mol => {
-    site = mol.site;
-
-    // remove Ligand
-    dispatch(
-      deleteObject(
-        Object.assign({ display_div: VIEWS.MAJOR_VIEW }, generateMolecule(mol.protein_code, mol.sdf_info)),
-        majorViewStage
-      )
-    );
-
-    // remove Complex, Protein, Surface
-    Object.keys(complexObjectTypes).forEach(type => {
-      dispatch(
-        deleteObject(
-          Object.assign(
-            { display_div: VIEWS.MAJOR_VIEW },
-            generateComplex(mol.protein_code, mol.sdf_info, mol.molecule_protein, type)
-          ),
-          majorViewStage
-        )
-      );
-    });
-  });
-
-  // remove all Vectors
-  vector_list
-    .filter(v => v.site === site)
-    .forEach(item => {
-      dispatch(deleteObject(Object.assign({ display_div: VIEWS.MAJOR_VIEW }, item), majorViewStage));
-    });
-
-  dispatch(setObjectSelection(undefined));
-
   // remove all molecule orientations
   dispatch(setMoleculeOrientations({}));
-
-  // remove all selected ALCV of given site
-  currentMolGroup.mol_id.forEach(moleculeID => {
-    // remove Ligand, Complex, Vectors from selection
-    //Ligand
-    dispatch(removeFromFragmentDisplayList({ id: moleculeID }));
-    // Complex
-    dispatch(removeFromComplexList({ id: moleculeID }));
-    // Protein
-    dispatch(removeFromProteinList({ id: moleculeID }));
-    // Surface
-    dispatch(removeFromSurfaceList({ id: moleculeID }));
-    // Vectors
-    dispatch(removeFromVectorOnList({ id: moleculeID }));
-  });
 };
 
 export const saveMoleculeGroupsToNglView = (molGroupList, stage, projectId) => dispatch => {
@@ -229,11 +162,7 @@ export const onDeselectMoleculeGroup = ({ moleculeGroup, stageSummaryView, major
   const selectionCopy = mol_group_selection.slice();
   const objIdx = mol_group_selection.indexOf(moleculeGroup.id);
   dispatch(
-    clearAfterDeselectingMoleculeGroup({
-      molGroupId: moleculeGroup.id,
-      currentMolGroup,
-      majorViewStage
-    })
+    clearAfterDeselectingMoleculeGroup()
   );
   selectionCopy.splice(objIdx, 1);
   dispatch(

diff --git a/package.json b/package.json
@@ -1,6 +1,6 @@
 {
   "name": "fragalysis-frontend",
-  "version": "0.9.29",
+  "version": "0.9.32",
   "description": "Frontend for fragalysis",
   "main": "webpack.config.js",
   "scripts": {