{moleculeList.length > 0 &&
moleculeList.map((molecule, index, array) => {
+ if (!molecule) return <> ;
let data = molecule;
data.isInspiration = true;
let previousData = index > 0 && Object.assign({ isInspiration: true }, array[index - 1]);
diff --git a/js/components/datasets/redux/actions.js b/js/components/datasets/redux/actions.js
index 3ec64c23c..fea6b7ff3 100644
--- a/js/components/datasets/redux/actions.js
+++ b/js/components/datasets/redux/actions.js
@@ -623,3 +623,42 @@ export const setUpdatedDatasets = updatedDataset => ({
type: constants.SET_UPDATED_DATASETS,
payload: { updatedDataset }
});
+
+export const setToBeDisplayedListForDataset = (datasetID, toBeDisplayedList) => {
+ return {
+ type: constants.SET_TO_BE_DISPLAYED_LIST_DATASET,
+ toBeDisplayedList: toBeDisplayedList,
+ datasetID: datasetID
+ };
+};
+
+export const appendToBeDisplayedListForDataset = (datasetID, item) => {
+ return {
+ type: constants.APPEND_TO_BE_DISPLAYED_LIST_DATASET,
+ item: item,
+ datasetID: datasetID
+ };
+};
+
+export const removeFromToBeDisplayedListForDataset = (datasetID, item) => {
+ return {
+ type: constants.REMOVE_FROM_TO_BE_DISPLAYED_LIST_DATASET,
+ item: item,
+ datasetID: datasetID
+ };
+};
+
+export const updateInToBeDisplayedListForDataset = (datasetID, item) => {
+ return {
+ type: constants.UPDATE_IN_TO_BE_DISPLAYED_LIST_DATASET,
+ item: item,
+ datasetID: datasetID
+ };
+};
+
+export const setToBeDisplayedLists = toBeDisplayedLists => {
+ return {
+ type: constants.SET_TO_BE_DISPLAYED_LISTS,
+ toBeDisplayedLists: toBeDisplayedLists
+ };
+};
diff --git a/js/components/datasets/redux/constants.js b/js/components/datasets/redux/constants.js
index 3e96418fe..8a740d779 100644
--- a/js/components/datasets/redux/constants.js
+++ b/js/components/datasets/redux/constants.js
@@ -122,7 +122,13 @@ export const constants = {
SET_SELECTED_COMPOUNDS_ITERATOR: prefix + 'SET_SELECTED_COMPOUNDS_ITERATOR',
SET_INSPIRATION_DIALOG_ACTION: prefix + 'SET_INSPIRATION_DIALOG_ACTION',
- SET_INSPIRATION_DIALOG_OPENED_FOR_SELECTED_COMPOUND: prefix + 'SET_INSPIRATION_DIALOG_OPENED_FOR_SELECTED_COMPOUND'
+ SET_INSPIRATION_DIALOG_OPENED_FOR_SELECTED_COMPOUND: prefix + 'SET_INSPIRATION_DIALOG_OPENED_FOR_SELECTED_COMPOUND',
+
+ SET_TO_BE_DISPLAYED_LIST_DATASET: prefix + 'SET_TO_BE_DISPLAYED_LIST_DATASET',
+ APPEND_TO_BE_DISPLAYED_LIST_DATASET: prefix + 'APPEND_TO_BE_DISPLAYED_LIST_DATASET',
+ REMOVE_FROM_TO_BE_DISPLAYED_LIST_DATASET: prefix + 'REMOVE_FROM_TO_BE_DISPLAYED_LIST_DATASET',
+ UPDATE_IN_TO_BE_DISPLAYED_LIST_DATASET: prefix + 'UPDATE_IN_TO_BE_DISPLAYED_LIST_DATASET',
+ SET_TO_BE_DISPLAYED_LISTS: prefix + 'SET_TO_BE_DISPLAYED_LISTS'
};
export const COUNT_OF_VISIBLE_SCORES = 7;
diff --git a/js/components/datasets/redux/dispatchActions.js b/js/components/datasets/redux/dispatchActions.js
index dc556b549..0f3a0dcc5 100644
--- a/js/components/datasets/redux/dispatchActions.js
+++ b/js/components/datasets/redux/dispatchActions.js
@@ -37,7 +37,9 @@ import {
removeDataset,
appendCompoundToSelectedCompoundsByDataset,
setDatasetIterator,
- setSelectedCompoundsIterator
+ setSelectedCompoundsIterator,
+ appendToBeDisplayedListForDataset,
+ updateInToBeDisplayedListForDataset
} from './actions';
import { base_url } from '../../routes/constants';
import {
@@ -75,11 +77,10 @@ import {
} from '../../preview/molecule/redux/dispatchActions';
import { OBJECT_TYPE } from '../../nglView/constants';
import { getRepresentationsByType } from '../../nglView/generatingObjects';
-import { selectAllMoleculeList } from '../../preview/molecule/redux/selectors';
-import { getCompoundById } from '../../../reducers/tracking/dispatchActionsSwitchSnapshot';
import { getRandomColor } from '../../preview/molecule/utils/color';
-import { BreakfastDiningOutlined } from '@mui/icons-material';
import { isCompoundFromVectorSelector } from '../../preview/compounds/redux/dispatchActions';
+import { getCompoundById } from '../../../utils/genericDispatchActions';
+import { NGL_OBJECTS } from '../../../reducers/ngl/constants';
export const initializeDatasetFilter = datasetID => (dispatch, getState) => {
const state = getState();
@@ -106,34 +107,26 @@ export const addDatasetHitProtein = (
skipTracking = false,
representations = undefined
) => async dispatch => {
- dispatch(appendProteinList(datasetID, generateMoleculeCompoundId(data), skipTracking));
- return dispatch(
- loadObject({
- target: Object.assign(
- { display_div: VIEWS.MAJOR_VIEW },
- generateHitProteinObject(data, colourToggle, base_url, datasetID)
- ),
- stage,
- previousRepresentations: representations,
- orientationMatrix: null
+ dispatch(
+ appendToBeDisplayedListForDataset(datasetID, {
+ type: NGL_OBJECTS.PROTEIN,
+ id: data.id,
+ display: true,
+ representations: representations,
+ datasetID: datasetID
})
- ).finally(() => {
- const currentOrientation = stage.viewerControls.getOrientation();
- dispatch(setOrientation(VIEWS.MAJOR_VIEW, currentOrientation));
- });
+ );
};
export const removeDatasetHitProtein = (stage, data, colourToggle, datasetID, skipTracking = false) => dispatch => {
dispatch(
- deleteObject(
- Object.assign(
- { display_div: VIEWS.MAJOR_VIEW },
- generateHitProteinObject(data, colourToggle, base_url, datasetID)
- ),
- stage
- )
+ updateInToBeDisplayedListForDataset(datasetID, {
+ id: data.id,
+ display: false,
+ type: NGL_OBJECTS.PROTEIN,
+ datasetID: datasetID
+ })
);
- dispatch(removeFromProteinList(datasetID, generateMoleculeCompoundId(data), skipTracking));
};
export const addDatasetComplex = (
@@ -144,31 +137,26 @@ export const addDatasetComplex = (
skipTracking = false,
representations = undefined
) => async dispatch => {
- dispatch(appendComplexList(datasetID, generateMoleculeCompoundId(data), skipTracking));
- return dispatch(
- loadObject({
- target: Object.assign(
- { display_div: VIEWS.MAJOR_VIEW },
- generateComplexObject(data, colourToggle, base_url, datasetID)
- ),
- stage,
- previousRepresentations: representations,
- orientationMatrix: null
+ dispatch(
+ appendToBeDisplayedListForDataset(datasetID, {
+ type: NGL_OBJECTS.COMPLEX,
+ id: data.id,
+ display: true,
+ representations: representations,
+ datasetID: datasetID
})
- ).finally(() => {
- const currentOrientation = stage.viewerControls.getOrientation();
- dispatch(setOrientation(VIEWS.MAJOR_VIEW, currentOrientation));
- });
+ );
};
export const removeDatasetComplex = (stage, data, colourToggle, datasetID, skipTracking = false) => dispatch => {
dispatch(
- deleteObject(
- Object.assign({ display_div: VIEWS.MAJOR_VIEW }, generateComplexObject(data, colourToggle, base_url, datasetID)),
- stage
- )
+ updateInToBeDisplayedListForDataset(datasetID, {
+ id: data.id,
+ display: false,
+ type: NGL_OBJECTS.COMPLEX,
+ datasetID: datasetID
+ })
);
- dispatch(removeFromComplexList(datasetID, generateMoleculeCompoundId(data), skipTracking));
};
export const addDatasetSurface = (
@@ -178,31 +166,26 @@ export const addDatasetSurface = (
datasetID,
representations = undefined
) => async dispatch => {
- dispatch(appendSurfaceList(datasetID, generateMoleculeCompoundId(data)));
- return dispatch(
- loadObject({
- target: Object.assign(
- { display_div: VIEWS.MAJOR_VIEW },
- generateSurfaceObject(data, colourToggle, base_url, datasetID)
- ),
- stage,
- previousRepresentations: representations,
- orientationMatrix: null
+ dispatch(
+ appendToBeDisplayedListForDataset(datasetID, {
+ type: NGL_OBJECTS.SURFACE,
+ id: data.id,
+ display: true,
+ representations: representations,
+ datasetID: datasetID
})
- ).finally(() => {
- const currentOrientation = stage.viewerControls.getOrientation();
- dispatch(setOrientation(VIEWS.MAJOR_VIEW, currentOrientation));
- });
+ );
};
export const removeDatasetSurface = (stage, data, colourToggle, datasetID) => dispatch => {
dispatch(
- deleteObject(
- Object.assign({ display_div: VIEWS.MAJOR_VIEW }, generateSurfaceObject(data, colourToggle, base_url, datasetID)),
- stage
- )
+ updateInToBeDisplayedListForDataset(datasetID, {
+ id: data.id,
+ display: false,
+ type: NGL_OBJECTS.SURFACE,
+ datasetID: datasetID
+ })
);
- dispatch(removeFromSurfaceList(datasetID, generateMoleculeCompoundId(data)));
};
export const addDatasetLigand = (
@@ -213,43 +196,26 @@ export const addDatasetLigand = (
skipTracking = false,
representations = undefined
) => async (dispatch, getState) => {
- dispatch(appendLigandList(datasetID, generateMoleculeCompoundId(data), skipTracking));
- console.count(`Grabbed orientation before loading dataset ligand`);
- const currentOrientation = stage.viewerControls.getOrientation();
- return dispatch(
- loadObject({
- target: Object.assign({ display_div: VIEWS.MAJOR_VIEW }, generateMoleculeObject(data, colourToggle, datasetID)),
- stage,
- previousRepresentations: representations,
- markAsRightSideLigand: true
+ dispatch(
+ appendToBeDisplayedListForDataset(datasetID, {
+ type: NGL_OBJECTS.LIGAND,
+ id: data.id,
+ display: true,
+ representations: representations,
+ datasetID: datasetID
})
- ).finally(() => {
- const state = getState();
- const skipOrientation = state.trackingReducers.skipOrientationChange;
- if (!skipOrientation) {
- const ligandOrientation = stage.viewerControls.getOrientation();
- dispatch(setOrientation(VIEWS.MAJOR_VIEW, ligandOrientation));
-
- dispatch(appendMoleculeOrientation(getDatasetMoleculeID(datasetID, data?.id), ligandOrientation));
-
- // keep current orientation of NGL View
- if (!skipOrientation) {
- console.count(`Before applying orientation after loading dataset ligand.`);
- stage.viewerControls.orient(currentOrientation);
- console.count(`After applying orientation after loading dataset ligand.`);
- }
- }
- });
+ );
};
export const removeDatasetLigand = (stage, data, colourToggle, datasetID, skipTracking = false) => dispatch => {
dispatch(
- deleteObject(
- Object.assign({ display_div: VIEWS.MAJOR_VIEW }, generateMoleculeObject(data, undefined, datasetID)),
- stage
- )
+ updateInToBeDisplayedListForDataset(datasetID, {
+ id: data.id,
+ display: false,
+ type: NGL_OBJECTS.LIGAND,
+ datasetID: datasetID
+ })
);
- dispatch(removeFromLigandList(datasetID, generateMoleculeCompoundId(data), skipTracking));
};
export const loadDataSets = targetId => async dispatch => {
@@ -553,7 +519,7 @@ export const autoHideDatasetDialogsOnScroll = ({ inspirationDialogRef, crossRefe
const state = getState();
const isOpenInspirationDialog = state.datasetsReducers.isOpenInspirationDialog;
const isOpenCrossReferenceDialog = state.datasetsReducers.isOpenCrossReferenceDialog;
- const isActionRestoring = state.trackingReducers.isActionRestoring;
+ const isActionRestoring = false; //state.trackingReducers.isActionRestoring;
const currentBoundingClientRectInspiration =
(inspirationDialogRef.current && inspirationDialogRef.current.getBoundingClientRect()) || null;
diff --git a/js/components/datasets/redux/reducer.js b/js/components/datasets/redux/reducer.js
index 43595c0ee..4a493e499 100644
--- a/js/components/datasets/redux/reducer.js
+++ b/js/components/datasets/redux/reducer.js
@@ -87,7 +87,20 @@ export const INITIAL_STATE = {
inspirationsDialogOpenedForSelectedCompound: false,
- isSelectedDatasetScrolled: false
+ isSelectedDatasetScrolled: false,
+ //Map of datasetID and its objects which shape is bellow
+ // Shape of the object in toBeDisplayedList:
+ // {
+ // type: 'L|P|C|S|V|RIBBON|etc...',
+ // id: 1,
+
+ // center: true,
+ // withQuality: true,
+ // representations: [] etc...
+
+ // display: true
+ // }
+ toBeDisplayedList: {}
};
/**
@@ -119,7 +132,9 @@ const setList = (state, listsName, datasetId, list) => {
const appendToList = (state, listsName, datasetId, itemId) => {
const newState = Object.assign({}, state);
- newState[listsName][datasetId] = [...new Set([...newState[listsName][datasetId], itemId])];
+ newState[listsName][datasetId]
+ ? (newState[listsName][datasetId] = [...new Set([...newState[listsName][datasetId], itemId])])
+ : (newState[listsName][datasetId] = [itemId]);
return newState;
};
@@ -191,6 +206,47 @@ const removeDatasetFromState = (state, datasetId) => {
export const datasetsReducers = (state = INITIAL_STATE, action = {}) => {
switch (action.type) {
+ case constants.SET_TO_BE_DISPLAYED_LISTS:
+ return { ...state, toBeDisplayedList: action.toBeDisplayedLists };
+ case constants.SET_TO_BE_DISPLAYED_LIST_DATASET: {
+ return setList(state, 'toBeDisplayedList', action.datasetID, action.list);
+ }
+ case constants.APPEND_TO_BE_DISPLAYED_LIST_DATASET: {
+ return {
+ ...state,
+ toBeDisplayedList: {
+ ...state.toBeDisplayedList,
+ [action.datasetID]: [...(state.toBeDisplayedList[action.datasetID] || []), action.item]
+ }
+ };
+ }
+ case constants.REMOVE_FROM_TO_BE_DISPLAYED_LIST_DATASET: {
+ return {
+ ...state,
+ toBeDisplayedList: {
+ ...state.toBeDisplayedList,
+ [action.datasetID]: state.toBeDisplayedList[action.datasetID].filter(
+ i => i.id !== action.item.id || i.type !== action.item.type
+ )
+ }
+ };
+ }
+ case constants.UPDATE_IN_TO_BE_DISPLAYED_LIST_DATASET: {
+ return {
+ ...state,
+ toBeDisplayedList: {
+ ...state.toBeDisplayedList,
+ [action.datasetID]: state.toBeDisplayedList[action.datasetID].map(item => {
+ if (item.id === action.item.id && item.type === action.item.type) {
+ return { ...item, ...action.item };
+ } else {
+ return item;
+ }
+ })
+ }
+ };
+ }
+
case constants.ADD_DATASET:
const increasedDatasets = state.datasets.slice();
increasedDatasets.push(action.payload);
diff --git a/js/components/datasets/redux/selectors.js b/js/components/datasets/redux/selectors.js
index 323839bf0..6453db684 100644
--- a/js/components/datasets/redux/selectors.js
+++ b/js/components/datasets/redux/selectors.js
@@ -461,17 +461,6 @@ export const getJoinedMoleculeLists = (datasetID, state) => {
}
}
- // const restoredSearchString = state.trackingReducers.current_actions_list.find(
- // action => action.type === 'SEARCH_STRING'
- // );
- // if (restoredSearchString !== null && restoredSearchString !== undefined) {
- // const searchedString = restoredSearchString.searchString;
- // if (searchedString !== undefined) {
- // moleculeList = moleculeList.filter(molecule =>
- // molecule.name.toLowerCase().includes(searchedString.toLowerCase())
- // );
- // }
- // }
if (searchString !== null && searchString !== undefined) {
moleculeList = moleculeList.filter(molecule => molecule.name.toLowerCase().includes(searchString.toLowerCase()));
}
diff --git a/js/components/datasets/useScrollToCompound.js b/js/components/datasets/useScrollToCompound.js
index 2ff67582d..4ad2de85d 100644
--- a/js/components/datasets/useScrollToCompound.js
+++ b/js/components/datasets/useScrollToCompound.js
@@ -41,6 +41,8 @@ export const useScrollToCompound = () => {
const rhsOpen = useSelector(state => state.previewReducers.viewerControls.sidesOpen.RHS);
const isSelectedCompoundsTab = tabValue === 1;
+ const rhsDataIsLoaded = useSelector(state => state.apiReducers.rhsDataIsLoaded);
+
const dialogOpenedForInspirationWithId =
isSelectedCompoundsTab && Object.keys(inspirationLists)?.length > 0
? inspirationLists[Object.keys(inspirationLists)]?.length > 0
@@ -112,7 +114,9 @@ export const useScrollToCompound = () => {
}
}
console.log(`${uuid} useScrollToCompound useEffect - end - setting selected dataset scrolled`);
- dispatch(setSelectedDatasetScrolled(true));
+ if (rhsDataIsLoaded) {
+ dispatch(setSelectedDatasetScrolled(true));
+ }
}
}
console.log(`${uuid} useScrollToCompound useEffect - end`);
@@ -132,7 +136,8 @@ export const useScrollToCompound = () => {
rhsOpen,
surfaceList,
surfaceListDataset,
- uuid
+ uuid,
+ rhsDataIsLoaded
]);
useEffect(() => {
diff --git a/js/components/datasets/useScrollToSelected.js b/js/components/datasets/useScrollToSelected.js
index 6857411e6..55343e6cf 100644
--- a/js/components/datasets/useScrollToSelected.js
+++ b/js/components/datasets/useScrollToSelected.js
@@ -41,6 +41,8 @@ export const useScrollToSelected = (datasetID, moleculesPerPage, setCurrentPage)
const tabValue = useSelector(state => state.datasetsReducers.tabValue);
const isComputedDatasetsTab = tabValue > 1;
+ const rhsDataIsLoaded = useSelector(state => state.apiReducers.rhsDataIsLoaded);
+
// First pass, iterates over all the molecules and checks if any of them is selected. If it is,
// it saves the ID of the molecule and determines how many pages of molecules should be displayed.
// This is done only once and only if right hand side is open.
@@ -89,7 +91,9 @@ export const useScrollToSelected = (datasetID, moleculesPerPage, setCurrentPage)
}
}
- dispatch(setDatasetScrolled(datasetID));
+ if (rhsDataIsLoaded) {
+ dispatch(setDatasetScrolled(datasetID));
+ }
}
}, [
compoundsToBuyList,
@@ -110,7 +114,8 @@ export const useScrollToSelected = (datasetID, moleculesPerPage, setCurrentPage)
proteinList,
complexList,
surfaceList,
- isComputedDatasetsTab
+ isComputedDatasetsTab,
+ rhsDataIsLoaded
]);
// Second pass, once the list of molecules is displayed and the refs to their DOM nodes have been
diff --git a/js/components/header/index.js b/js/components/header/index.js
index 11ba81ab1..c7a3b316a 100644
--- a/js/components/header/index.js
+++ b/js/components/header/index.js
@@ -2,7 +2,7 @@
* Created by abradley on 14/03/2018.
*/
-import React, { memo, useContext, forwardRef, useState, useEffect } from 'react';
+import React, { memo, useContext, forwardRef, useState, useEffect, useCallback } from 'react';
import {
Grid,
makeStyles,
@@ -40,7 +40,7 @@ import {
} from '@material-ui/icons';
import { HeaderContext } from './headerContext';
import { Button } from '../common';
-import { URLS } from '../routes/constants';
+import { base_url, URLS } from '../routes/constants';
import { useCombinedRefs } from '../../utils/refHelpers';
import { ComputeSize } from '../../utils/computeSize';
import { DJANGO_CONTEXT } from '../../utils/djangoContext';
@@ -48,7 +48,6 @@ import { DJANGO_CONTEXT } from '../../utils/djangoContext';
import { useHistory } from 'react-router-dom';
import { IssueReport } from '../userFeedback/issueReport';
import { FundersModal } from '../funders/fundersModal';
-import { TrackingModal } from '../tracking/trackingModal';
// eslint-disable-next-line import/extensions
import { version } from '../../../package.json';
import { isDiscourseAvailable, openDiscourseLink } from '../../utils/discourse';
@@ -58,17 +57,28 @@ import { DiscourseErrorModal } from './discourseErrorModal';
import { setOpenDiscourseErrorModal } from '../../reducers/api/actions';
import { lockLayout, resetCurrentLayout } from '../../reducers/layout/actions';
import { ChangeLayoutButton } from './changeLayoutButton';
-import { setIsActionsRestoring, setProjectActionListLoaded } from '../../reducers/tracking/actions';
import { layouts } from '../../reducers/layout/layouts';
-import { setOpenSnapshotSavingDialog } from '../snapshot/redux/actions';
-import { activateSnapshotDialog } from '../snapshot/redux/dispatchActions';
-import { setAddButton, setProjectModalIsLoading } from '../projects/redux/actions';
+import {
+ setDisableRedirect,
+ setDontShowShareSnapshot,
+ setOpenSnapshotSavingDialog,
+ setSnapshotEditDialogOpen,
+ setSnapshotToBeEdited
+} from '../snapshot/redux/actions';
+import { activateSnapshotDialog, createNewSnapshot } from '../snapshot/redux/dispatchActions';
+import { setAddButton, setCurrentSnapshot, setProjectModalIsLoading } from '../projects/redux/actions';
import { getVersions } from '../../utils/version';
import { AddProjectDetail } from '../projects/addProjectDetail';
import { ServicesStatusWrapper } from '../services';
import { COMPANIES, get_logo } from '../funders/constants';
import { setEditTargetDialogOpen } from '../target/redux/actions';
import { Upload } from '@mui/icons-material';
+import { SnapshotType } from '../projects/redux/constants';
+import { NglContext } from '../nglView/nglProvider';
+import { VIEWS } from '../../constants/constants';
+import moment from 'moment';
+import { ToastContext } from '../toast';
+import { api } from '../../utils/api';
const useStyles = makeStyles(theme => ({
padding: {
@@ -119,6 +129,9 @@ export default memo(
const classes = useStyles();
const { headerNavbarTitle, setHeaderNavbarTitle, headerButtons } = useContext(HeaderContext);
+ const { nglViewList, getNglView } = useContext(NglContext);
+ const stage = getNglView(VIEWS.MAJOR_VIEW) && getNglView(VIEWS.MAJOR_VIEW).stage;
+
const [openMenu, setOpenMenu] = useState(false);
const [openFunders, setOpenFunders] = useState(false);
const [openTrackingModal, setOpenTrackingModal] = useState(false);
@@ -139,10 +152,15 @@ export default memo(
const selectedLayoutName = useSelector(state => state.layoutReducers.selectedLayoutName);
+ const currentSnapshot = useSelector(state => state.projectReducers.currentSnapshot);
+ const currentSnapshotId = currentSnapshot && currentSnapshot.id;
+
const discourseAvailable = isDiscourseAvailable();
const targetDiscourseVisible = discourseAvailable && targetName;
const projectDiscourseVisible = discourseAvailable && currentProject && currentProject.title;
+ const { toastError, toastInfo } = useContext(ToastContext);
+
useEffect(() => {
setOpenFunders(isFundersLink);
}, [isFundersLink]);
@@ -160,6 +178,46 @@ export default memo(
window.open(link, '_blank');
};
+ const createSnapshot = useCallback(
+ (title, description) => {
+ if (!currentSnapshotId || !currentProject || !title || !description) return;
+ // Prepare snapshot data
+ const type = SnapshotType.MANUAL;
+ const author = DJANGO_CONTEXT['pk'] || null;
+ const parent = currentSnapshotId;
+ const session_project = currentProject.projectID;
+
+ // Prevents redirect and displaying of share snapshot dialog
+ dispatch(setDisableRedirect(true));
+ dispatch(setDontShowShareSnapshot(true));
+
+ // With the above flags set, createNewSnapshot returns the ID of newly created snapshot as the second item in the array
+ return dispatch(
+ createNewSnapshot({
+ title,
+ description,
+ type,
+ author,
+ parent,
+ session_project,
+ nglViewList,
+ stage,
+ overwriteSnapshot: false,
+ createDiscourse: false
+ })
+ );
+ },
+ [currentProject, currentSnapshotId, dispatch, nglViewList, stage]
+ );
+
+ const editSnapshot = useCallback(
+ snapshotCopy => {
+ dispatch(setSnapshotToBeEdited(snapshotCopy));
+ dispatch(setSnapshotEditDialogOpen(true));
+ },
+ [dispatch]
+ );
+
let authListItem;
let username = null;
@@ -257,11 +315,6 @@ export default memo(
variant="h5"
color="textPrimary"
onClick={() => {
- dispatch(setIsActionsRestoring(false, false));
- dispatch(setProjectActionListLoaded(false));
- // dispatch(setCurrentProject(null, null, null, null, null, [], null));
- // dispatch(setDialogCurrentStep(0));
- // dispatch(setForceCreateProject(false));
history.push(URLS.landing);
window.location.reload();
}}
@@ -273,14 +326,18 @@ export default memo(
targetName !== undefined ? (
<>
{currentProject.authorID === null ||
- currentProject.projectID === null ||
- currentProject.authorID === userId ? (
+ currentProject.projectID === null ||
+ currentProject.authorID === userId ? (
{
- isProjectModalLoading === false
- ? (dispatch(setProjectModalIsLoading(true)), dispatch(setAddButton(false)))
- : dispatch(setProjectModalIsLoading(false));
- openSaveSnapshotModal === true ? dispatch(setOpenSnapshotSavingDialog(false)) : '';
+ if (!isProjectModalLoading) {
+ dispatch(setProjectModalIsLoading(true));
+ dispatch(setAddButton(false));
+ } else {
+ dispatch(setProjectModalIsLoading(false));
+ }
+
+ openSaveSnapshotModal ?? dispatch(setOpenSnapshotSavingDialog(false));
}}
key="newProject"
color="primary"
@@ -291,10 +348,14 @@ export default memo(
) : (
{
- openNewProjectModal === false
- ? (dispatch(setProjectModalIsLoading(true)), dispatch(setAddButton(false)))
- : dispatch(setProjectModalIsLoading(false));
- openSaveSnapshotModal === true ? dispatch(setOpenSnapshotSavingDialog(false)) : '';
+ if (!openNewProjectModal) {
+ dispatch(setProjectModalIsLoading(true));
+ dispatch(setAddButton(false));
+ } else {
+ dispatch(setProjectModalIsLoading(false));
+ }
+
+ openSaveSnapshotModal ?? dispatch(setOpenSnapshotSavingDialog(false));
}}
key="newProject"
color="primary"
@@ -307,15 +368,43 @@ export default memo(
{
- dispatch(activateSnapshotDialog(DJANGO_CONTEXT['pk']));
- openSaveSnapshotModal === false
- ? dispatch(setOpenSnapshotSavingDialog(true))
- : dispatch(setOpenSnapshotSavingDialog(false));
- openSaveSnapshotModal === true ? dispatch(setOpenSnapshotSavingDialog(false)) : '';
- isProjectModalLoading === true ? dispatch(setProjectModalIsLoading(false)) : '';
-
- dispatch(setAddButton(false));
+ onClick={async () => {
+ // Prevents redirect and displaying of share snapshot dialog
+ dispatch(setDisableRedirect(true));
+ dispatch(setDontShowShareSnapshot(true));
+
+ const title = moment().format('-- YYYY-MM-DD -- HH:mm:ss');
+ const description = `snapshot generated by ${DJANGO_CONTEXT['username']}`;
+ createSnapshot(title, description)
+ .then(newSnapshotId => {
+ const options = {
+ link: {
+ linkAction: editSnapshot,
+ linkText: 'Click to edit',
+ linkParams: [{ id: newSnapshotId, title: title, description: description }]
+ }
+ };
+ api({ url: `${base_url}/api/snapshots/${newSnapshotId}` }).then(snapshotResponse => {
+ dispatch(
+ setCurrentSnapshot({
+ id: snapshotResponse.data.id,
+ type: snapshotResponse.data.type,
+ title: snapshotResponse.data.title,
+ author: snapshotResponse.data.author,
+ description: snapshotResponse.data.description,
+ created: snapshotResponse.data.created,
+ children: snapshotResponse.data.children,
+ parent: snapshotResponse.data.parent,
+ data: snapshotResponse.data.data
+ })
+ );
+ toastInfo('New snapshot created. Switching to selected snapshot.', options);
+ });
+ })
+ .catch(err => {
+ toastError('Error creating new snapshot. Unable to switch to selected snapshot.');
+ console.error(`Save snapshot - error: ${err}`);
+ });
}}
startIcon={
-
-
@@ -503,7 +582,6 @@ export default memo(
setOpenFunders(false)} />
- setOpenTrackingModal(false)} />
{
- dispatch(setIsActionsRestoring(false, false));
- dispatch(setProjectActionListLoaded(false));
history.push(URLS.landing);
window.location.reload();
}}
@@ -575,7 +651,7 @@ export default memo(
openLink(URLS.lhsUpload)}>
@@ -597,7 +673,7 @@ export default memo(
- }
+ )}
(
- openNewProjectModal === true ? dispatch(setProjectModalOpen(false)) : '',
- openSaveSnapshotModal === true ? dispatch(setOpenSnapshotSavingDialog(false)) : ''
- )}
+ onClick={() => {
+ openNewProjectModal && dispatch(setProjectModalOpen(false));
+ openSaveSnapshotModal && dispatch(setOpenSnapshotSavingDialog(false));
+ }}
>
{
Density rendering maps selection
- {data.code}
+ {data?.code}
diff --git a/js/components/preview/molecule/moleculeView/moleculeView.js b/js/components/preview/molecule/moleculeView/moleculeView.js
index 7367b1e7d..900af8be6 100644
--- a/js/components/preview/molecule/moleculeView/moleculeView.js
+++ b/js/components/preview/molecule/moleculeView/moleculeView.js
@@ -49,7 +49,14 @@ import { SvgTooltip } from '../../../common';
import { MOL_TYPE } from '../redux/constants';
import { DensityMapsModal } from '../modals/densityMapsModal';
import { getRandomColor } from '../utils/color';
-import { DEFAULT_TAG_COLOR, getAllTagsForCategories, getAllTagsForLHSCmp, getAllTagsForMol, getAllTagsForObservation, getAllTagsForObservationPopover } from '../../tags/utils/tagUtils';
+import {
+ DEFAULT_TAG_COLOR,
+ getAllTagsForCategories,
+ getAllTagsForLHSCmp,
+ getAllTagsForMol,
+ getAllTagsForObservation,
+ getAllTagsForObservationPopover
+} from '../../tags/utils/tagUtils';
import MoleculeSelectCheckbox from './moleculeSelectCheckbox';
import useClipboard from 'react-use-clipboard';
import Typography from '@mui/material/Typography';
@@ -360,7 +367,13 @@ export const img_data_init = `
' `;
-export const XCA_TAGS_CATEGORIES = ['CanonSites', 'ConformerSites', 'Quatassemblies', 'Crystalforms', 'CrystalformSites'];
+export const XCA_TAGS_CATEGORIES = [
+ 'CanonSites',
+ 'ConformerSites',
+ 'Quatassemblies',
+ 'Crystalforms',
+ 'CrystalformSites'
+];
const MoleculeView = memo(
({
@@ -430,9 +443,9 @@ const MoleculeView = memo(
const allPoses = useSelector(state => state.apiReducers.lhs_compounds_list);
//for some reason when tags are changed for this molecule the data are stale so I need to retrieve them from list of all molecules
- data = allMolecules.filter(mol => mol.id === data.id)[0];
+ data = allMolecules.filter(mol => mol.id === data?.id)[0];
- const [isCopied, setCopied] = useClipboard(data.smiles, { successDuration: 5000 });
+ const [isCopied, setCopied] = useClipboard(data?.smiles, { successDuration: 5000 });
const hasAllValuesOn = isLigandOn && isProteinOn && isComplexOn;
const hasSomeValuesOn = !hasAllValuesOn && (isLigandOn || isProteinOn || isComplexOn);
@@ -445,7 +458,7 @@ const MoleculeView = memo(
const colourToggle = getRandomColor(data);
- const pose = useMemo(() => allPoses.find(p => p.id === data.pose), [allPoses, data]);
+ const pose = useMemo(() => allPoses.find(p => p.id === data?.pose), [allPoses, data]);
const getCalculatedProps = useCallback(
() => [
@@ -461,7 +474,7 @@ const MoleculeView = memo(
// { name: moleculeProperty.vectors, value: countOfVectors },
// { name: moleculeProperty.cpd, value: cmpds }
],
- [data.ha, data.hacc, data.hdon, data.logp, data.mw, data.rings, data.rots, data.tpsa, data.velec]
+ []
);
const [densityModalOpen, setDensityModalOpen] = useState(false);
@@ -544,7 +557,7 @@ const MoleculeView = memo(
setHeaderWidthsHandler(data.longcode, 'LongCode');
XCA_TAGS_CATEGORIES.forEach(tagCategory => {
setHeaderWidthsHandler(getTagLabel(tagCategory), tagCategory);
- })
+ });
}
}, [showExpandedView, getTagType, getTagLabel, centroidRes, data.longcode, setHeaderWidthsHandler]);
@@ -581,18 +594,25 @@ const MoleculeView = memo(
return getFontColorByBackgroundColor(bgColor);
};
- const getAllTags = useCallback(() => getAllTagsForCategories(data, tagList, tagCategories), [data, tagList, tagCategories]);
+ const getAllTags = useCallback(() => getAllTagsForCategories(data, tagList, tagCategories), [
+ data,
+ tagList,
+ tagCategories
+ ]);
/**
* Get tag for render
*/
- const getTagType = useCallback((type) => {
- // TODO change this to null maybe?
- const defaultTagObject = { tag_prefix: '-', color: 'orange', upload_name: '-' };
- const tagCategory = tagCategories.find(tag => tag.category === type);
- const tagObject = tagCategory ? getAllTags().find(tag => tag.category === tagCategory.id) : defaultTagObject;
- return tagObject ?? defaultTagObject;
- }, [getAllTags, tagCategories]);
+ const getTagType = useCallback(
+ type => {
+ // TODO change this to null maybe?
+ const defaultTagObject = { tag_prefix: '-', color: 'orange', upload_name: '-' };
+ const tagCategory = tagCategories.find(tag => tag.category === type);
+ const tagObject = tagCategory ? getAllTags().find(tag => tag.category === tagCategory.id) : defaultTagObject;
+ return tagObject ?? defaultTagObject;
+ },
+ [getAllTags, tagCategories]
+ );
const generateTagPopover = () => {
// const allData = getAllTagsForObservation(data, tagList, tagCategories);
@@ -669,7 +689,7 @@ const MoleculeView = memo(
dispatch(setMoleculeForTagEdit([]));
} else {
setTagEditModalOpenNew(true);
- dispatch(setMoleculeForTagEdit([data.id]));
+ dispatch(setMoleculeForTagEdit([data?.id]));
dispatch(setTagEditorOpenObs(true));
if (setRef) {
setRef(ref.current);
@@ -731,7 +751,7 @@ const MoleculeView = memo(
dispatch(setMoleculeForTagEdit([]));
} else {
setTagEditModalOpenNew(true);
- dispatch(setMoleculeForTagEdit([data.id]));
+ dispatch(setMoleculeForTagEdit([data?.id]));
dispatch(setTagEditorOpenObs(true));
if (setRef) {
setRef(ref.current);
@@ -806,7 +826,7 @@ const MoleculeView = memo(
dispatch(setMoleculeForTagEdit([]));
} else {
setTagEditModalOpenNew(true);
- dispatch(setMoleculeForTagEdit([data.id]));
+ dispatch(setMoleculeForTagEdit([data?.id]));
dispatch(setTagEditorOpenObs(true));
if (setRef) {
setRef(ref.current);
@@ -825,10 +845,12 @@ const MoleculeView = memo(
// componentDidMount
useEffect(() => {
- dispatch(getMolImage(data.id, MOL_TYPE.HIT, imageWidth, imageHeight)).then(i => {
- setImg_data(i);
- });
- }, [data.id, data.smiles, imageHeight, imageWidth, dispatch]);
+ if (data) {
+ dispatch(getMolImage(data?.id, MOL_TYPE.HIT, imageWidth, imageHeight)).then(i => {
+ setImg_data(i);
+ });
+ }
+ }, [data, imageHeight, imageWidth, dispatch]);
useEffect(() => {
dispatch(getQualityInformation(data));
@@ -1012,7 +1034,7 @@ const MoleculeView = memo(
if (isDensityOn === false && isDensityCustomOn === false) {
dispatch(getDensityMapData(data)).then(r => {
if (r) {
- dispatch(setDensityModalOpen(true));
+ setDensityModalOpen(true);
} else {
addNewDensity();
}
@@ -1114,7 +1136,7 @@ const MoleculeView = memo(
// let moleculeTitle = data?.code.replace(new RegExp(`${target_on_name}-`, 'i'), '');
// let moleculeTitle = data?.code;
let moleculeTitle = data?.code.replaceAll(`${target_on_name}-`, '');
- const moleculeTitleTruncated = moleculeTitle.substring(0, 20) + (moleculeTitle.length > 20 ? '...' : '');
+ const moleculeTitleTruncated = moleculeTitle?.substring(0, 20) + (moleculeTitle?.length > 20 ? '...' : '') || '';
const [isNameCopied, setNameCopied] = useClipboard(moleculeTitle, { successDuration: 5000 });
@@ -1129,10 +1151,10 @@ const MoleculeView = memo(
switch (string?.length) {
case 1:
case 2:
- fontSize = 18
+ fontSize = 18;
break;
case 4:
- fontSize = 10
+ fontSize = 10;
break;
default:
break;
@@ -1140,23 +1162,29 @@ const MoleculeView = memo(
return fontSize;
};
- const getTagLabel = useCallback(tagCategory => {
- const tagTypeObject = getTagType(tagCategory);
- let tagLabel = '';
- if (tagTypeObject) {
- tagLabel = tagTypeObject.tag;
- }
- return tagLabel;
- }, [getTagType]);
-
- const getTagTooltip = useCallback(tagCategory => {
- const tagTypeObject = getTagType(tagCategory);
- let tagTooltip = '';
- if (tagTypeObject) {
- tagTooltip = tagTypeObject.upload_name;
- }
- return tagTooltip;
- }, [getTagType]);
+ const getTagLabel = useCallback(
+ tagCategory => {
+ const tagTypeObject = getTagType(tagCategory);
+ let tagLabel = '';
+ if (tagTypeObject) {
+ tagLabel = tagTypeObject.tag;
+ }
+ return tagLabel;
+ },
+ [getTagType]
+ );
+
+ const getTagTooltip = useCallback(
+ tagCategory => {
+ const tagTypeObject = getTagType(tagCategory);
+ let tagTooltip = '';
+ if (tagTypeObject) {
+ tagTooltip = tagTypeObject.upload_name;
+ }
+ return tagTooltip;
+ },
+ [getTagType]
+ );
const copyExperimentalPaths = async () => {
await navigator.clipboard.writeText(experimentalPath);
@@ -1169,12 +1197,9 @@ const MoleculeView = memo(
container
justifyContent="space-between"
direction="row"
- className={classNames(
- classes.container,
- {
- [classes.containerHeight]: !hideImage
- }
- )}
+ className={classNames(classes.container, {
+ [classes.containerHeight]: !hideImage
+ })}
wrap="nowrap"
ref={ref}
>
@@ -1206,22 +1231,36 @@ const MoleculeView = memo(
{/* Title label */}
-
+
{
e.preventDefault();
setNameCopied(moleculeTitle);
}}
- className={classNames(classes.moleculeTitleLabel, { [classes.moleculeTitleLabelMainObs]: data.id === pose?.main_site_observation })}
+ className={classNames(classes.moleculeTitleLabel, {
+ [classes.moleculeTitleLabelMainObs]: data?.id === pose?.main_site_observation
+ })}
>
- {moleculeTitleTruncated}
+
+ {moleculeTitleTruncated}
+
{/* Molecule properties */}
- {getCalculatedProps().length > 0 &&
+ {getCalculatedProps().length > 0 && (
{/* Molecule properties */}
- }
+ )}
{/* Control Buttons A, L, C, V */}
@@ -1267,7 +1306,7 @@ const MoleculeView = memo(
variant="outlined"
className={classes.myLocationButton}
onClick={() => {
- dispatch(centerOnLigandByMoleculeID(stage, data.id));
+ dispatch(centerOnLigandByMoleculeID(stage, data?.id));
}}
disabled={false || !isLigandOn}
>
@@ -1458,33 +1497,43 @@ const MoleculeView = memo(
direction="row"
alignItems="center"
// wrap="nowrap"
- style={{ height: "100%" }}
+ style={{ height: '100%' }}
>
{XCA_TAGS_CATEGORIES.map(tagCategory => {
const tagTypeObject = getTagType(tagCategory);
- const tagLabel = tagCategory === 'ConformerSites' ? tagTypeObject.tag_prefix.replace(getTagType('CanonSites')?.tag_prefix, '') : tagTypeObject?.tag_prefix;
- return {PLURAL_TO_SINGULAR[tagCategory]} - {tagTypeObject.tag}
+ {PLURAL_TO_SINGULAR[tagCategory]} - {tagTypeObject.tag}
+