m2ms
diff --git a/‎js/components/datasets/datasetMoleculeList.js
+235-88 b/‎js/components/datasets/datasetMoleculeList.js
+235-88
diff --git a/‎js/components/datasets/datasetMoleculeView/datasetMoleculeView.js
+56-17 b/‎js/components/datasets/datasetMoleculeView/datasetMoleculeView.js
+56-17
diff --git a/‎js/components/datasets/lockVisibleCompoundsDialog.js
+6-6 b/‎js/components/datasets/lockVisibleCompoundsDialog.js
+6-6
diff --git a/‎js/components/datasets/redux/actions.js
+10-1 b/‎js/components/datasets/redux/actions.js
+10-1
diff --git a/‎js/components/datasets/redux/constants.js
+4-1 b/‎js/components/datasets/redux/constants.js
+4-1
@@ -32,14 +32,15 @@ import {
   moveDatasetMoleculeUpDown,
   getFirstUnlockedCompoundAfter,
   getFirstUnlockedCompoundBefore,
-  isDatasetCompoundIterrable,
   isDatasetCompoundLocked,
   getAllVisibleButNotLockedCompounds,
   getAllVisibleButNotLockedSelectedCompounds,
   isCompoundLocked,
   getFirstUnlockedSelectedCompoundAfter,
   moveSelectedDatasetMoleculeUpDown,
-  getFirstUnlockedSelectedCompoundBefore
+  getFirstUnlockedSelectedCompoundBefore,
+  resetSelectedCompoundIterator,
+  resetDatasetIterator
 } from '../redux/dispatchActions';
 
 import { isAnyInspirationTurnedOn, getFilteredDatasetMoleculeList } from '../redux/selectors';
@@ -87,6 +88,7 @@ import RemoveShoppingCartIcon from '@mui/icons-material/RemoveShoppingCart';
 import { compoundsColors } from '../../preview/compounds/redux/constants';
 import { LockVisibleCompoundsDialog } from '../lockVisibleCompoundsDialog';
 import { fabClasses } from '@mui/material';
+import useClipboard from 'react-use-clipboard';
 
 const useStyles = makeStyles(theme => ({
   container: {
@@ -461,7 +463,7 @@ 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 isPdbAvailable = !!(data && (data.pdb_info || pdbData));
+      const isPdbAvailable = !!(data && (data.pdb_info || data.site_observation_code));
 
       useEffect(() => {
         if (data.site_observation_code) {
@@ -470,7 +472,7 @@ const DatasetMoleculeView = memo(
             setPdbData(molecule);
           }
         } else {
-          setPdbData(data.pdb_info);
+          setPdbData(data);
         }
       }, [data, allMolecules]);
 
@@ -504,6 +506,14 @@ const DatasetMoleculeView = memo(
       const current_style =
         isLigandOn || isProteinOn || isComplexOn || isSurfaceOn ? selected_style : not_selected_style;
 
+      const resetIterator = () => {
+        if (inSelectedCompoundsList) {
+          dispatch(resetSelectedCompoundIterator());
+        } else {
+          dispatch(resetDatasetIterator(datasetID));
+        }
+      };
+
       const addNewLigand = (skipTracking = false) => {
         dispatch(
           withDisabledDatasetMoleculeNglControlButton(datasetID, currentID, 'ligand', () => {
@@ -522,6 +532,7 @@ const DatasetMoleculeView = memo(
       const [loadingAll, setLoadingAll] = useState(false);
       const [loadingLigand, setLoadingLigand] = useState(false);
       const onLigand = calledFromSelectAll => {
+        resetIterator();
         setLoadingLigand(true);
         if (calledFromSelectAll === true && selectedAll.current === true) {
           if (isLigandOn === false) {
@@ -544,22 +555,29 @@ const DatasetMoleculeView = memo(
       };
 
       const removeSelectedProtein = (skipTracking = false) => {
-        // dispatch(removeDatasetHitProtein(stage, data, colourToggle, datasetID, skipTracking));
-        dispatch(removeHitProtein(stage, pdbData, colourToggle, skipTracking));
+        if (data.isCustomPdb) {
+          dispatch(removeDatasetHitProtein(stage, data, colourToggle, datasetID, skipTracking));
+        } else {
+          dispatch(removeHitProtein(stage, pdbData, colourToggle, skipTracking));
+        }
         selectedAll.current = false;
       };
 
       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));
+            }
           })
         );
       };
 
       const [loadingProtein, setLoadingProtein] = useState(false);
       const onProtein = calledFromSelectAll => {
+        resetIterator();
         setLoadingProtein(true);
         if (calledFromSelectAll === true && selectedAll.current === true) {
           if (isProteinOn === false) {
@@ -578,22 +596,29 @@ const DatasetMoleculeView = memo(
       };
 
       const removeSelectedComplex = (skipTracking = false) => {
-        // dispatch(removeDatasetComplex(stage, data, colourToggle, datasetID, skipTracking));
-        dispatch(removeComplex(stage, pdbData, colourToggle, skipTracking));
+        if (data.isCustomPdb) {
+          dispatch(removeDatasetComplex(stage, data, colourToggle, datasetID, skipTracking));
+        } else {
+          dispatch(removeComplex(stage, pdbData, colourToggle, skipTracking));
+        }
         selectedAll.current = false;
       };
 
       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));
+            }
           })
         );
       };
 
       const [loadingComplex, setLoadingComplex] = useState(false);
       const onComplex = calledFromSelectAll => {
+        resetIterator();
         setLoadingComplex(true);
         if (calledFromSelectAll === true && selectedAll.current === true) {
           if (isComplexOn === false) {
@@ -612,22 +637,29 @@ const DatasetMoleculeView = memo(
       };
 
       const removeSelectedSurface = () => {
-        // dispatch(removeDatasetSurface(stage, data, colourToggle, datasetID));
-        dispatch(removeSurface(stage, pdbData, colourToggle));
+        if (data.isCustomPdb) {
+          dispatch(removeDatasetSurface(stage, data, colourToggle, datasetID));
+        } else {
+          dispatch(removeSurface(stage, pdbData, colourToggle));
+        }
         selectedAll.current = false;
       };
 
       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));
+            }
           })
         );
       };
 
       const [loadingSurface, setLoadingSurface] = useState(false);
       const onSurface = calledFromSelectAll => {
+        resetIterator();
         setLoadingSurface(true);
         if (calledFromSelectAll === true && selectedAll.current === true) {
           if (isSurfaceOn === false) {
@@ -896,6 +928,7 @@ const DatasetMoleculeView = memo(
       };
 
       const moleculeTitle = data && data.name;
+      const [isNameCopied, setNameCopied] = useClipboard(moleculeTitle, { successDuration: 5000 });
       const datasetTitle = datasets?.find(item => `${item.id}` === `${datasetID}`)?.title;
 
       const allScores = { ...data?.numerical_scores, ...data?.text_scores };
@@ -974,7 +1007,13 @@ const DatasetMoleculeView = memo(
               >
                 <Grid item className={classes.inheritWidth}>
                   <Tooltip title={moleculeTitle} placement="bottom-start">
-                    <div className={classNames(classes.moleculeTitleLabel, isLocked && classes.selectedMolecule)}>
+                    <div
+                      className={classNames(classes.moleculeTitleLabel, isLocked && classes.selectedMolecule)}
+                      onCopy={e => {
+                        e.preventDefault();
+                        setNameCopied(moleculeTitle);
+                      }}
+                    >
                       {moleculeTitle}
                     </div>
                   </Tooltip>
 
@@ -44,27 +44,27 @@ export const LockVisibleCompoundsDialog = forwardRef(
         if (currentCmp) {
           let cmpsToLock = dispatch(getAllVisibleButNotLockedCompounds(datasetId));
           if (cmpsToLock && cmpsToLock.length > 0) {
-            dispatch(lockCompounds(datasetId, cmpsToLock, currentCmp.id));
+            dispatch(lockCompounds(datasetId, cmpsToLock, currentCmp));
           }
         } else {
           let cmpsToLock = dispatch(getAllVisibleButNotLockedCompounds(datasetId));
           //we need to skip first element if we came here from global arrows
           if (cmpsToLock && cmpsToLock.length > 0) {
-            const firstCmpId = cmpsToLock[0];
-            dispatch(lockCompounds(datasetId, cmpsToLock, firstCmpId));
+            const firstCmp = cmpsToLock[0];
+            dispatch(lockCompounds(datasetId, cmpsToLock, firstCmp));
           }
         }
       } else {
         if (currentCmp) {
           let cmpsToLock = dispatch(getAllVisibleButNotLockedSelectedCompounds());
           if (cmpsToLock && cmpsToLock.length > 0) {
-            dispatch(lockSelectedCompounds(cmpsToLock, currentCmp.id));
+            dispatch(lockSelectedCompounds(cmpsToLock, { datasetID: currentCmp.computed_set, molecule: currentCmp }));
           }
         } else {
           let cmpsToLock = dispatch(getAllVisibleButNotLockedSelectedCompounds());
           if (cmpsToLock && cmpsToLock.length > 0) {
-            const firstCmpId = cmpsToLock[0];
-            dispatch(lockSelectedCompounds(cmpsToLock, firstCmpId));
+            const firstCmp = cmpsToLock[0];
+            dispatch(lockSelectedCompounds(cmpsToLock, firstCmp));
           }
         }
       }
 
@@ -62,6 +62,16 @@ export const setFilterDialogOpen = filterDialogOpen => ({
   payload: filterDialogOpen
 });
 
+export const setDatasetIterator = (datasetID, currentCmp) => ({
+  type: constants.SET_DATASET_ITERATOR,
+  payload: { datasetID, currentCmp }
+});
+
+export const setSelectedCompoundsIterator = (datasetID, molecule) => ({
+  type: constants.SET_SELECTED_COMPOUNDS_ITERATOR,
+  payload: { datasetID, molecule }
+});
+
 export const setLigandList = function(datsetID, ligandList) {
   return {
     type: constants.SET_LIGAND_LIST,
@@ -579,4 +589,3 @@ export const setUpdatedDatasets = updatedDataset => ({
   type: constants.SET_UPDATED_DATASETS,
   payload: { updatedDataset }
 });
-
 
@@ -115,7 +115,10 @@ export const constants = {
   SET_SELECT_ALL_BUTTON_FOR_DATASET: prefix + 'SET_SELECT_ALL_BUTTON_FOR_DATASET',
 
   SET_COMPOUND_SET: prefix + 'SET_COMPOUND_SET',
-  SET_UPDATED_DATASETS: prefix + 'SET_UPDATED_DATASETS'
+  SET_UPDATED_DATASETS: prefix + 'SET_UPDATED_DATASETS',
+
+  SET_DATASET_ITERATOR: prefix + 'SET_DATASET_ITERATOR',
+  SET_SELECTED_COMPOUNDS_ITERATOR: prefix + 'SET_SELECTED_COMPOUNDS_ITERATOR'
 };
 
 export const COUNT_OF_VISIBLE_SCORES = 7;
Original file line number	Diff line number	Diff line change
`@@ -44,27 +44,27 @@ export const LockVisibleCompoundsDialog = forwardRef(`
`44`	`44`	`if (currentCmp) {`
`45`	`45`	`let cmpsToLock = dispatch(getAllVisibleButNotLockedCompounds(datasetId));`
`46`	`46`	`if (cmpsToLock && cmpsToLock.length > 0) {`
`47`		`- dispatch(lockCompounds(datasetId, cmpsToLock, currentCmp.id));`
	`47`	`+ dispatch(lockCompounds(datasetId, cmpsToLock, currentCmp));`
`48`	`48`	`}`
`49`	`49`	`} else {`
`50`	`50`	`let cmpsToLock = dispatch(getAllVisibleButNotLockedCompounds(datasetId));`
`51`	`51`	`//we need to skip first element if we came here from global arrows`
`52`	`52`	`if (cmpsToLock && cmpsToLock.length > 0) {`
`53`		`- const firstCmpId = cmpsToLock[0];`
`54`		`- dispatch(lockCompounds(datasetId, cmpsToLock, firstCmpId));`
	`53`	`+ const firstCmp = cmpsToLock[0];`
	`54`	`+ dispatch(lockCompounds(datasetId, cmpsToLock, firstCmp));`
`55`	`55`	`}`
`56`	`56`	`}`
`57`	`57`	`} else {`
`58`	`58`	`if (currentCmp) {`
`59`	`59`	`let cmpsToLock = dispatch(getAllVisibleButNotLockedSelectedCompounds());`
`60`	`60`	`if (cmpsToLock && cmpsToLock.length > 0) {`
`61`		`- dispatch(lockSelectedCompounds(cmpsToLock, currentCmp.id));`
	`61`	`+ dispatch(lockSelectedCompounds(cmpsToLock, { datasetID: currentCmp.computed_set, molecule: currentCmp }));`
`62`	`62`	`}`
`63`	`63`	`} else {`
`64`	`64`	`let cmpsToLock = dispatch(getAllVisibleButNotLockedSelectedCompounds());`
`65`	`65`	`if (cmpsToLock && cmpsToLock.length > 0) {`
`66`		`- const firstCmpId = cmpsToLock[0];`
`67`		`- dispatch(lockSelectedCompounds(cmpsToLock, firstCmpId));`
	`66`	`+ const firstCmp = cmpsToLock[0];`
	`67`	`+ dispatch(lockSelectedCompounds(cmpsToLock, firstCmp));`
`68`	`68`	`}`
`69`	`69`	`}`
`70`	`70`	`}`