diff --git a/js/components/datasets/datasetMoleculeList.js b/js/components/datasets/datasetMoleculeList.js index e8f0144d2..d62441614 100644 --- a/js/components/datasets/datasetMoleculeList.js +++ b/js/components/datasets/datasetMoleculeList.js @@ -428,9 +428,9 @@ const DatasetMoleculeList = ({ title, datasetID, url }) => { ); const ligandList = useSelector(state => state.datasetsReducers.ligandLists[datasetID]); - // const proteinList = useSelector(state => state.datasetsReducers.proteinLists[datasetID]); - // const complexList = useSelector(state => state.datasetsReducers.complexLists[datasetID]); - // const surfaceList = useSelector(state => state.datasetsReducers.surfaceLists[datasetID]); + const proteinListDataset = useSelector(state => state.datasetsReducers.proteinLists[datasetID]); + const complexListDataset = useSelector(state => state.datasetsReducers.complexLists[datasetID]); + const surfaceListDataset = useSelector(state => state.datasetsReducers.surfaceLists[datasetID]); // #1249 dataset molecules currently could use side observation molecule for some renders const proteinList = useSelector(state => state.selectionReducers.proteinList); const complexList = useSelector(state => state.selectionReducers.complexList); @@ -656,7 +656,7 @@ const DatasetMoleculeList = ({ title, datasetID, url }) => { <> {/* fontSize does not change font here, but it disqualifies default font size so we do not need to !important */} - {isActiveFilter && } + {isActiveFilter && } @@ -917,7 +917,7 @@ const DatasetMoleculeList = ({ title, datasetID, url }) => { }; return ( - + { setIsDeleteDatasetAlertOpen(false); }} /> - { - sortDialogOpen && ( - - ) - } - { - isOpenInspirationDialog && ( - - ) - } - { - askLockCompoundsQuestion && isLockVisibleCompoundsDialogOpenGlobal && ( - - ) - } - { - isOpenCrossReferenceDialog && ( - - ) - } + {sortDialogOpen && ( + + )} + {isOpenInspirationDialog && ( + + )} + {askLockCompoundsQuestion && isLockVisibleCompoundsDialogOpenGlobal && ( + + )} + {isOpenCrossReferenceDialog && ( + + )}
{/* TODO disable showing of filter tags for now */} {false && isActiveFilter && ( @@ -992,8 +984,9 @@ const DatasetMoleculeList = ({ title, datasetID, url }) => { {filterSettings.priorityOrder.map(attr => ( @@ -1336,9 +1329,21 @@ const DatasetMoleculeList = ({ title, datasetID, url }) => { previousItemData={index > 0 && array[index - 1]} nextItemData={index < array?.length && array[index + 1]} L={ligandList?.includes(data.id)} - P={proteinList?.includes(idToFind)} - C={complexList?.includes(idToFind)} - S={surfaceList?.includes(idToFind)} + P={ + data.isCustomPdb + ? proteinListDataset?.includes(idToFind) + : proteinList?.includes(idToFind) + } + C={ + data.isCustomPdb + ? complexListDataset?.includes(idToFind) + : complexList?.includes(idToFind) + } + S={ + data.isCustomPdb + ? surfaceListDataset?.includes(idToFind) + : surfaceList?.includes(idToFind) + } V={false} moveMolecule={moveMolecule} isLocked={locked} @@ -1396,7 +1401,7 @@ const DatasetMoleculeList = ({ title, datasetID, url }) => { )} - + ); }; diff --git a/js/components/datasets/datasetMoleculeView/datasetMoleculeView.js b/js/components/datasets/datasetMoleculeView/datasetMoleculeView.js index 50455a492..93cf38334 100644 --- a/js/components/datasets/datasetMoleculeView/datasetMoleculeView.js +++ b/js/components/datasets/datasetMoleculeView/datasetMoleculeView.js @@ -461,7 +461,6 @@ const DatasetMoleculeView = memo( // #1249 dataset molecules currently could use side observation molecule for some renders const allMolecules = useSelector(state => state.apiReducers.all_mol_lists); const [pdbData, setPdbData] = useState(null); - const [isCustomPdb, setIsCustomPdb] = useState(false); const isPdbAvailable = !!(data && (data.pdb_info || pdbData)); useEffect(() => { @@ -472,7 +471,6 @@ const DatasetMoleculeView = memo( } } else { setPdbData(data); - setIsCustomPdb(true); } }, [data, allMolecules]); @@ -554,8 +552,11 @@ const DatasetMoleculeView = memo( const addNewProtein = (skipTracking = false) => { dispatch( withDisabledDatasetMoleculeNglControlButton(datasetID, currentID, 'protein', () => { - dispatch(addHitProtein(stage, pdbData, colourToggle, true, skipTracking, undefined, true)); - // dispatch(addDatasetHitProtein(stage, data, colourToggle, datasetID, skipTracking)); + if (data.isCustomPdb) { + dispatch(addDatasetHitProtein(stage, data, colourToggle, datasetID, skipTracking)); + } else { + dispatch(addHitProtein(stage, pdbData, colourToggle, true, skipTracking, undefined, true)); + } }) ); }; @@ -588,8 +589,11 @@ const DatasetMoleculeView = memo( const addNewComplex = (skipTracking = false) => { dispatch( withDisabledDatasetMoleculeNglControlButton(datasetID, currentID, 'complex', () => { - // dispatch(addDatasetComplex(stage, data, colourToggle, datasetID, skipTracking)); - dispatch(addComplex(stage, pdbData, colourToggle, skipTracking, undefined, true)); + if (data.isCustomPdb) { + dispatch(addDatasetComplex(stage, data, colourToggle, datasetID, skipTracking)); + } else { + dispatch(addComplex(stage, pdbData, colourToggle, skipTracking, undefined, true)); + } }) ); }; @@ -622,8 +626,11 @@ const DatasetMoleculeView = memo( const addNewSurface = async () => { dispatch( withDisabledDatasetMoleculeNglControlButton(datasetID, currentID, 'surface', () => { - dispatch(addSurface(stage, pdbData, colourToggle, false, undefined, true)); - // dispatch(addDatasetSurface(stage, data, colourToggle, datasetID)); + if (data.isCustomPdb) { + dispatch(addDatasetSurface(stage, data, colourToggle, datasetID)); + } else { + dispatch(addSurface(stage, pdbData, colourToggle, false, undefined, true)); + } }) ); }; diff --git a/js/components/datasets/redux/dispatchActions.js b/js/components/datasets/redux/dispatchActions.js index 51cfd82cb..1463b83ad 100644 --- a/js/components/datasets/redux/dispatchActions.js +++ b/js/components/datasets/redux/dispatchActions.js @@ -310,6 +310,7 @@ export const loadDatasetCompoundsWithScores = (datasetsToLoad = null) => (dispat if (compondMoleculesMap.hasOwnProperty(molecule.name)) { molecule['site_observation_code'] = compondMoleculesMap[molecule.name].site_observation_code; molecule['pdb_info'] = compondMoleculesMap[molecule.name].pdb_info; + molecule['isCustomPdb'] = !!!compondMoleculesMap[molecule.name].site_observation_code; } }); // <-----