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#407 Properly turn on/off inspiration fragments when using the next/p…
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…revious arrows (bug of #384)
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Adriána Kohanová committed Oct 22, 2020
1 parent 6cbbeb7 commit 9dfd6b7
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Showing 4 changed files with 206 additions and 177 deletions.
132 changes: 18 additions & 114 deletions js/components/datasets/datasetMoleculeList.js
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Original file line number Diff line number Diff line change
Expand Up @@ -35,29 +35,19 @@ import {
addDatasetSurface,
removeDatasetSurface,
autoHideDatasetDialogsOnScroll,
loadInspirationMoleculesDataList,
clearAllInspirationsOfDataset
moveMoleculeInspirationsSettings,
removeAllSelectedDatasetMolecules
} from './redux/dispatchActions';
import { setFilterDialogOpen, setSearchStringOfCompoundSet } from './redux/actions';
import { DatasetFilter } from './datasetFilter';
import { FilterList, Search, Link } from '@material-ui/icons';
import { getFilteredDatasetMoleculeList, isAnyInspirationTurnedOnByType } from './redux/selectors';
import { getFilteredDatasetMoleculeList } from './redux/selectors';
import { debounce } from 'lodash';
import { InspirationDialog } from './inspirationDialog';
import { CrossReferenceDialog } from './crossReferenceDialog';
import { AlertModal } from '../common/Modal/AlertModal';
import { hideAllSelectedMolecules } from '../preview/molecule/redux/dispatchActions';
import { getMoleculeList } from '../preview/molecule/redux/selectors';
import {
addVector,
addHitProtein,
addComplex,
addSurface,
addLigand,
addDensity
} from '../preview/molecule/redux/dispatchActions';
import { OBJECT_TYPE } from '../nglView/constants';
import { getRepresentationsByType } from '../nglView/generatingObjects';

const useStyles = makeStyles(theme => ({
container: {
Expand Down Expand Up @@ -286,7 +276,6 @@ export const DatasetMoleculeList = memo(
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 isLigandOn = (ligandList && ligandList.length > 0) || false;
const isProteinOn = (proteinList && proteinList.length > 0) || false;
Expand All @@ -311,109 +300,24 @@ export const DatasetMoleculeList = memo(
};

const removeOfAllSelectedTypes = () => {
ligandList?.forEach(moleculeID => {
const foundedMolecule = joinedMoleculeLists?.find(mol => mol.id === moleculeID);
dispatch(
removeDatasetLigand(stage, foundedMolecule, colourList[foundedMolecule.id % colourList.length], datasetID)
);
});
proteinList?.forEach(moleculeID => {
const foundedMolecule = joinedMoleculeLists?.find(mol => mol.id === moleculeID);
dispatch(
removeDatasetHitProtein(stage, foundedMolecule, colourList[foundedMolecule.id % colourList.length], datasetID)
);
});
complexList?.forEach(moleculeID => {
const foundedMolecule = joinedMoleculeLists?.find(mol => mol.id === moleculeID);
dispatch(
removeDatasetComplex(stage, foundedMolecule, colourList[foundedMolecule.id % colourList.length], datasetID)
);
});
surfaceList?.forEach(moleculeID => {
const foundedMolecule = joinedMoleculeLists?.find(mol => mol.id === moleculeID);
dispatch(
removeDatasetSurface(stage, foundedMolecule, colourList[foundedMolecule.id % colourList.length], datasetID)
);
});
};

const moveInspirations = (
isAnyInspirationLigandOn,
isAnyInspirationProteinOn,
isAnyInspirationComplexOn,
isAnyInspirationSurfaceOn,
isAnyInspirationDensityOn,
isAnyInspirationVectorOn
) => (dispatch, getState) => {
const state = getState();
const molecules = state.datasetsReducers.inspirationMoleculeDataList;
if (molecules) {
molecules.forEach(molecule => {
if (molecule) {
if (isAnyInspirationLigandOn) {
let representations = getRepresentationsByType(objectsInView, molecule, OBJECT_TYPE.LIGAND);
dispatch(addLigand(stage, molecule, colourList[molecule.id % colourList.length], false, representations));
}
if (isAnyInspirationProteinOn) {
let representations = getRepresentationsByType(objectsInView, molecule, OBJECT_TYPE.HIT_PROTEIN);
dispatch(addHitProtein(stage, molecule, colourList[molecule.id % colourList.length], representations));
}
if (isAnyInspirationComplexOn) {
let representations = getRepresentationsByType(objectsInView, molecule, OBJECT_TYPE.COMPLEX);
dispatch(addComplex(stage, molecule, colourList[molecule.id % colourList.length], representations));
}
if (isAnyInspirationSurfaceOn) {
let representations = getRepresentationsByType(objectsInView, molecule, OBJECT_TYPE.SURFACE);
dispatch(addSurface(stage, molecule, colourList[molecule.id % colourList.length], representations));
}
if (isAnyInspirationDensityOn) {
let representations = getRepresentationsByType(objectsInView, molecule, OBJECT_TYPE.DENSITY);
dispatch(addDensity(stage, molecule, colourList[molecule.id % colourList.length], representations));
}
if (isAnyInspirationVectorOn) {
dispatch(addVector(stage, molecule, colourList[molecule.id % colourList.length]));
}
}
});
}
dispatch(removeAllSelectedDatasetMolecules(stage));
};

const moveSelectedMoleculeInspirationsSettings = (data, newItemData) => (dispatch, getState) => {
dispatch(clearAllInspirationsOfDataset());
if (newItemData) {
let computed_inspirations = (data && data.computed_inspirations) || [];
let isAnyInspirationLigandOn = isAnyInspirationTurnedOnByType(
computed_inspirations,
fragmentDisplayListMolecule
);
let isAnyInspirationProteinOn = isAnyInspirationTurnedOnByType(computed_inspirations, proteinListMolecule);
let isAnyInspirationComplexOn = isAnyInspirationTurnedOnByType(computed_inspirations, complexListMolecule);
let isAnyInspirationSurfaceOn = isAnyInspirationTurnedOnByType(computed_inspirations, surfaceListMolecule);
let isAnyInspirationDensityOn = isAnyInspirationTurnedOnByType(computed_inspirations, densityListMolecule);
let isAnyInspirationVectorOn = isAnyInspirationTurnedOnByType(computed_inspirations, vectorOnListMolecule);

if (
isAnyInspirationLigandOn ||
isAnyInspirationProteinOn ||
isAnyInspirationComplexOn ||
isAnyInspirationSurfaceOn ||
isAnyInspirationDensityOn ||
isAnyInspirationVectorOn
) {
dispatch(loadInspirationMoleculesDataList(newItemData.computed_inspirations)).then(() => {
dispatch(
moveInspirations(
isAnyInspirationLigandOn,
isAnyInspirationProteinOn,
isAnyInspirationComplexOn,
isAnyInspirationSurfaceOn,
isAnyInspirationDensityOn,
isAnyInspirationVectorOn
)
);
});
}
}
dispatch(
moveMoleculeInspirationsSettings(
data,
newItemData,
stage,
objectsInView,
fragmentDisplayListMolecule,
proteinListMolecule,
complexListMolecule,
surfaceListMolecule,
densityListMolecule,
vectorOnListMolecule
)
);
};

// TODO "currentMolecules" do not need to correspondent to selections in {type}List
Expand Down
143 changes: 143 additions & 0 deletions js/components/datasets/redux/dispatchActions.js
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Original file line number Diff line number Diff line change
Expand Up @@ -43,6 +43,17 @@ import { getInitialDatasetFilterProperties, getInitialDatasetFilterSettings } fr
import { COUNT_OF_VISIBLE_SCORES } from './constants';
import { colourList } from '../../preview/molecule/moleculeView';
import { appendMoleculeOrientation } from '../../../reducers/ngl/actions';
import { isAnyInspirationTurnedOnByType } from './selectors';
import {
addVector,
addHitProtein,
addComplex,
addSurface,
addLigand,
addDensity
} from '../../preview/molecule/redux/dispatchActions';
import { OBJECT_TYPE } from '../../nglView/constants';
import { getRepresentationsByType } from '../../nglView/generatingObjects';

export const initializeDatasetFilter = datasetID => (dispatch, getState) => {
const initFilterSettings = getInitialDatasetFilterSettings(getState(), datasetID);
Expand Down Expand Up @@ -539,4 +550,136 @@ export const autoHideDatasetDialogsOnScroll = ({ inspirationDialogRef, crossRefe
}
};

export const removeAllSelectedDatasetMolecules = stage => (dispatch, getState) => {
const state = getState();
const datasets = state.datasetsReducers.datasets;
const currentMolecules = state.datasetsReducers.moleculeLists;
if (datasets) {
datasets.forEach(dataset => {
let datasetID = dataset.id;
const ligandList = state.datasetsReducers.ligandLists[datasetID];
const proteinList = state.datasetsReducers.proteinLists[datasetID];
const complexList = state.datasetsReducers.complexLists[datasetID];
const surfaceList = state.datasetsReducers.surfaceLists[datasetID];

let molecules = currentMolecules[datasetID];
ligandList?.forEach(moleculeID => {
const foundedMolecule = molecules?.find(mol => mol.id === moleculeID);
dispatch(
removeDatasetLigand(stage, foundedMolecule, colourList[foundedMolecule.id % colourList.length], datasetID)
);
});
proteinList?.forEach(moleculeID => {
const foundedMolecule = molecules?.find(mol => mol.id === moleculeID);
dispatch(
removeDatasetHitProtein(stage, foundedMolecule, colourList[foundedMolecule.id % colourList.length], datasetID)
);
});
complexList?.forEach(moleculeID => {
const foundedMolecule = molecules?.find(mol => mol.id === moleculeID);
dispatch(
removeDatasetComplex(stage, foundedMolecule, colourList[foundedMolecule.id % colourList.length], datasetID)
);
});
surfaceList?.forEach(moleculeID => {
const foundedMolecule = molecules?.find(mol => mol.id === moleculeID);
dispatch(
removeDatasetSurface(stage, foundedMolecule, colourList[foundedMolecule.id % colourList.length], datasetID)
);
});
});
}
};

export const moveMoleculeInspirationsSettings = (
data,
newItemData,
stage,
objectsInView,
fragmentDisplayListMolecule,
proteinListMolecule,
complexListMolecule,
surfaceListMolecule,
densityListMolecule,
vectorOnListMolecule
) => (dispatch, getState) => {
dispatch(clearAllInspirationsOfDataset());
if (newItemData) {
let computed_inspirations = (data && data.computed_inspirations) || [];
let isAnyInspirationLigandOn = isAnyInspirationTurnedOnByType(computed_inspirations, fragmentDisplayListMolecule);
let isAnyInspirationProteinOn = isAnyInspirationTurnedOnByType(computed_inspirations, proteinListMolecule);
let isAnyInspirationComplexOn = isAnyInspirationTurnedOnByType(computed_inspirations, complexListMolecule);
let isAnyInspirationSurfaceOn = isAnyInspirationTurnedOnByType(computed_inspirations, surfaceListMolecule);
let isAnyInspirationDensityOn = isAnyInspirationTurnedOnByType(computed_inspirations, densityListMolecule);
let isAnyInspirationVectorOn = isAnyInspirationTurnedOnByType(computed_inspirations, vectorOnListMolecule);

if (
isAnyInspirationLigandOn ||
isAnyInspirationProteinOn ||
isAnyInspirationComplexOn ||
isAnyInspirationSurfaceOn ||
isAnyInspirationDensityOn ||
isAnyInspirationVectorOn
) {
dispatch(loadInspirationMoleculesDataList(newItemData.computed_inspirations)).then(() => {
dispatch(
moveInspirations(
stage,
objectsInView,
isAnyInspirationLigandOn,
isAnyInspirationProteinOn,
isAnyInspirationComplexOn,
isAnyInspirationSurfaceOn,
isAnyInspirationDensityOn,
isAnyInspirationVectorOn
)
);
});
}
}
};

const moveInspirations = (
stage,
objectsInView,
isAnyInspirationLigandOn,
isAnyInspirationProteinOn,
isAnyInspirationComplexOn,
isAnyInspirationSurfaceOn,
isAnyInspirationDensityOn,
isAnyInspirationVectorOn
) => (dispatch, getState) => {
const state = getState();
const molecules = state.datasetsReducers.inspirationMoleculeDataList;
if (molecules) {
molecules.forEach(molecule => {
if (molecule) {
if (isAnyInspirationLigandOn) {
let representations = getRepresentationsByType(objectsInView, molecule, OBJECT_TYPE.LIGAND);
dispatch(addLigand(stage, molecule, colourList[molecule.id % colourList.length], false, representations));
}
if (isAnyInspirationProteinOn) {
let representations = getRepresentationsByType(objectsInView, molecule, OBJECT_TYPE.HIT_PROTEIN);
dispatch(addHitProtein(stage, molecule, colourList[molecule.id % colourList.length], representations));
}
if (isAnyInspirationComplexOn) {
let representations = getRepresentationsByType(objectsInView, molecule, OBJECT_TYPE.COMPLEX);
dispatch(addComplex(stage, molecule, colourList[molecule.id % colourList.length], representations));
}
if (isAnyInspirationSurfaceOn) {
let representations = getRepresentationsByType(objectsInView, molecule, OBJECT_TYPE.SURFACE);
dispatch(addSurface(stage, molecule, colourList[molecule.id % colourList.length], representations));
}
if (isAnyInspirationDensityOn) {
let representations = getRepresentationsByType(objectsInView, molecule, OBJECT_TYPE.DENSITY);
dispatch(addDensity(stage, molecule, colourList[molecule.id % colourList.length], representations));
}
if (isAnyInspirationVectorOn) {
dispatch(addVector(stage, molecule, colourList[molecule.id % colourList.length]));
}
}
});
}
};

export const getDatasetMoleculeID = (datasetID, moleculeID) => `datasetID-${datasetID}_moleculeID-${moleculeID}`;
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