Merge remote-tracking branch 'remotes/origin/allfunctionality' into #441

js/components/datasets/datasetFilter.js

@@ -8,6 +8,7 @@ import {
   setFilterDialogOpen,
   setFilterProperties,
   setFilterSettings,
+  setDatasetFilter,
   setFilterWithInspirations
 } from './redux/actions';
 import {
@@ -96,20 +97,25 @@ export const DatasetFilter = memo(
       return scoreDatasetList[Object.keys(scoreDatasetList).find(attrName => attrName === attr)];
     };
 
-    const handleFilterChange = (newFilterProperties, newFilterSettings) => {
+    const handleFilterChange = (newFilterProperties, newFilterSettings, key, prio, oldPrio) => {
       Object.keys(scoreDatasetList).forEach(attrKey => {
         if (newFilterProperties[attrKey].priority === undefined || newFilterProperties[attrKey].priority === '') {
           newFilterProperties[attrKey].priority = 0;
         }
+        if (attrKey === key && prio !== undefined && prio !== null) {
+          newFilterProperties[attrKey].newPrio = prio;
+          newFilterProperties[attrKey].oldPrio = oldPrio;
+        }
       });
+      dispatch(setDatasetFilter(datasetID, newFilterProperties, newFilterSettings, key));
       dispatch(setFilterProperties(datasetID, newFilterProperties));
       dispatch(setFilterSettings(datasetID, newFilterSettings));
     };
 
     const handleItemChange = key => setting => {
       const newFilterSettings = createFilterSettingsObject({ active: true, predefined, priorityOrder });
       const newFilterProperties = { ...filterProperties, [key]: setting };
-      handleFilterChange(newFilterProperties, newFilterSettings);
+      handleFilterChange(newFilterProperties, newFilterSettings, key);
     };
 
     const handlePrioChange = key => inc => () => {
@@ -124,13 +130,16 @@ export const DatasetFilter = memo(
         newFilterSettings.priorityOrder = localPriorityOrder;
         newFilterSettings.active = true;
 
-        handleFilterChange(filterProperties, newFilterSettings);
+        let oldPrio = index;
+        let newPrio = index + inc;
+        let newFilterProperties = { ...filterProperties };
+        handleFilterChange(newFilterProperties, newFilterSettings, key, newPrio, oldPrio);
       }
     };
 
     const handleClear = () => {
       setPredefinedFilter('none');
-      handleFilterChange(defaultFilterProperties, defaultFilterSettings);
+      handleFilterChange(defaultFilterProperties, defaultFilterSettings, 'clear');
     };
 
     // Check for multiple attributes with same sorting priority

js/components/datasets/datasetMoleculeListSortFilterItem.js

@@ -1,4 +1,4 @@
-import React, { memo, useState } from 'react';
+import React, { memo, useState, useEffect } from 'react';
 import PropTypes from 'prop-types';
 import Button from '@material-ui/core/Button';
 import Slider from '@material-ui/core/Slider';
@@ -120,6 +120,10 @@ export const DatasetMoleculeListSortFilter = memo(
       isString
     };
 
+    useEffect(() => {
+      setSliderValue([normMinValue, normMaxValue]);
+    }, [normMinValue, normMaxValue]);
+
     const handleCheckboxChange = e => {
       const isChecked = e.target.checked;
 
@@ -142,7 +146,7 @@ export const DatasetMoleculeListSortFilter = memo(
     };
 
     const handleCommitChangeSlider = (event, newValue) => {
-      setting.minValue = isBoolean ? 1 : (isFloat ? newValue[0] / MULT : newValue[0]);
+      setting.minValue = isFloat ? newValue[0] / MULT : newValue[0];
       setting.maxValue = isFloat ? newValue[1] / MULT : newValue[1];
       if (newValue === 1) {
         setting.isChecked = false;
@@ -259,7 +263,7 @@ export const DatasetMoleculeListSortFilter = memo(
         {isBoolean && (
           <>
             <Grid item className={classNames(classes.min, classes.centered)} style={{ width: widthMin }}>
-              {"False"}
+              {'False'}
             </Grid>
             <Grid item className={classNames(classes.centered, classes.slider)} style={{ width: widthSlider }}>
               <Slider
@@ -268,44 +272,42 @@ export const DatasetMoleculeListSortFilter = memo(
                 onChangeCommitted={handleCommitChangeSlider}
                 valueLabelDisplay="auto"
                 step={null}
-                marks={[{ value: 1, label: "", }, { value: 50, label: "Ignore", }, { value: 100, label: "", },]}
-                getAriaValueText={
-                  value => {
-                    if (value === 0) {
-                      return "";
-                    } else if (value === 100) {
-                      return "";
-                    } else {
-                      return "Ignore";
-                    }
+                marks={[
+                  { value: 1, label: '' },
+                  { value: 50, label: 'Ignore' },
+                  { value: 100, label: '' }
+                ]}
+                getAriaValueText={value => {
+                  if (value === 0) {
+                    return '';
+                  } else if (value === 100) {
+                    return '';
+                  } else {
+                    return 'Ignore';
                   }
-                }
-                getAriaLabel={
-                  index => {
-                    if (index === 0) {
-                      return "False";
-                    } else if (index === 1) {
-                      return "Ignore";
-                    } else {
-                      return "True";
-                    }
+                }}
+                getAriaLabel={index => {
+                  if (index === 0) {
+                    return 'False';
+                  } else if (index === 1) {
+                    return 'Ignore';
+                  } else {
+                    return 'True';
                   }
-                }
-                valueLabelFormat={
-                  value => {
-                    if (value === 1) {
-                      return "False";
-                    } else if (value === 50) {
-                      return "Ignore";
-                    } else {
-                      return "True";
-                    }
+                }}
+                valueLabelFormat={value => {
+                  if (value === 1) {
+                    return 'False';
+                  } else if (value === 50) {
+                    return 'Ignore';
+                  } else {
+                    return 'True';
                   }
-                }
+                }}
               />
             </Grid>
             <Grid item className={classNames(classes.min, classes.centered)} style={{ width: widthMin }}>
-              {"True"}
+              {'True'}
             </Grid>
           </>
         )}

js/components/datasets/datasetMoleculeView.js

@@ -485,20 +485,6 @@ export const DatasetMoleculeView = memo(
       });
     };
 
-    const getInspirationsForMol = (datasetId, molId) => {
-      let inspirations = [];
-
-      if (
-        allInspirations &&
-        allInspirations.hasOwnProperty(datasetId) &&
-        allInspirations[datasetId].hasOwnProperty(molId)
-      ) {
-        inspirations = allInspirations[datasetId][molId];
-      }
-
-      return inspirations;
-    };
-
     const handleClickOnDownArrow = () => {
       const refNext = ref.current.nextSibling;
       scrollToElement(refNext);

js/components/datasets/datasetSelectorMenuButton.js

@@ -6,6 +6,7 @@ import Popper from '@material-ui/core/Popper';
 import MenuItem from '@material-ui/core/MenuItem';
 import MenuList from '@material-ui/core/MenuList';
 import { makeStyles } from '@material-ui/core';
+import { useDispatch } from 'react-redux';
 
 const useStyles = makeStyles(theme => ({
   dropDown: {
@@ -21,9 +22,12 @@ export const DatasetSelectorMenuButton = ({
   setSelectedDatasetIndex
 }) => {
   const classes = useStyles();
+  const dispatch = useDispatch();
 
   const handleMenuItemClick = (event, index) => {
-    setSelectedDatasetIndex(index);
+    let oldDataset = customDatasets[selectedDatasetIndex]?.title;
+    let newDataset = customDatasets[index]?.title;
+    dispatch(setSelectedDatasetIndex(selectedDatasetIndex, index, newDataset, oldDataset));
     setOpen(false);
     event.stopPropagation();
   };

js/components/datasets/redux/actions.js

@@ -26,6 +26,17 @@ export const setMoleculeListIsLoading = isLoading => ({
   payload: isLoading
 });
 
+export const setSelectedDatasetIndex = (oldValue, tabValue, tabName, oldName, skipTracking = false) => ({
+  type: constants.SET_SELECTED_DATASET_INDEX,
+  payload: { oldValue: oldValue, value: tabValue, name: tabName, oldName: oldName },
+  skipTracking: skipTracking
+});
+
+export const setTabValue = (oldValue, tabValue, tabName, oldName) => ({
+  type: constants.SET_TAB_VALUE,
+  payload: { oldValue: oldValue, value: tabValue, name: tabName, oldName: oldName }
+});
+
 export const replaceAllMoleculeLists = allMoleculeLists => ({
   type: constants.REPLACE_ALL_MOLECULELISTS,
   payload: allMoleculeLists
@@ -41,6 +52,11 @@ export const setFilterProperties = (datasetID, properties) => ({
   payload: { datasetID, properties }
 });
 
+export const setDatasetFilter = (datasetID, properties, settings, key) => ({
+  type: constants.SET_DATASET_FILTER,
+  payload: { datasetID, properties, settings, key }
+});
+
 export const setFilterDialogOpen = filterDialogOpen => ({
   type: constants.SET_FILTER_DIALOG_OPEN,
   payload: filterDialogOpen
@@ -234,6 +250,11 @@ export const updateFilterShowedScoreProperties = ({ datasetID, scoreList = [] })
   payload: { datasetID, scoreList }
 });
 
+export const setFilterShowedScoreProperties = ({ datasetID, scoreList = [], oldScoreList, isChecked, scoreName }) => ({
+  type: constants.SET_FILTER_SHOWED_SCORE_PROPERTIES,
+  payload: { datasetID, scoreList, isChecked, scoreName, oldScoreList }
+});
+
 export const removeFromFilterShowedScoreProperties = datasetID => ({
   type: constants.REMOVE_FROM_FILTER_SHOWED_SCORE_PROPERTIES,
   payload: datasetID

js/components/datasets/redux/constants.js

@@ -7,11 +7,14 @@ export const constants = {
   ADD_MOLECULELIST: prefix + 'ADD_MOLECULELIST',
   REMOVE_MOLECULELIST: prefix + 'REMOVE_MOLECULELIST',
   SET_IS_LOADING_MOLECULE_LIST: prefix + 'SET_IS_LOADING_MOLECULE_LIST',
+  SET_SELECTED_DATASET_INDEX: prefix + 'SET_SELECTED_DATASET_INDEX',
+  SET_TAB_VALUE: prefix + 'SET_TAB_VALUE',
 
   SET_FILTER_SETTINGS: prefix + 'SET_FILTER_SETTINGS',
   SET_FILTER_PROPERTIES: prefix + 'SET_FILTER_PROPERTIES',
   SET_FILTER_DIALOG_OPEN: prefix + 'SET_FILTER_DIALOG_OPEN',
   SET_FILTER_WITH_INSPIRATIONS: prefix + 'SET_FILTER_WITH_INSPIRATIONS',
+  SET_DATASET_FILTER: prefix + 'SET_DATASET_FILTER',
 
   SET_LIGAND_LIST: prefix + 'SET_LIGAND_LIST',
   APPEND_LIGAND_LIST: prefix + 'APPEND_LIGAND_LIST',
@@ -39,6 +42,7 @@ export const constants = {
   APPEND_TO_SCORE_COMPOUND_MAP_BY_SCORE_CATEGORY: prefix + 'APPEND_TO_SCORE_COMPOUND_MAP_BY_SCORE_CATEGORY',
   CLEAR_SCORE_COMPOUND_MAP: prefix + 'CLEAR_SCORE_COMPOUND_MAP',
 
+  SET_FILTER_SHOWED_SCORE_PROPERTIES: prefix + 'SET_FILTER_SHOWED_SCORE_PROPERTIES',
   UPDATE_FILTER_SHOWED_SCORE_PROPERTIES: prefix + 'UPDATE_FILTER_SHOWED_SCORE_PROPERTIES',
   REMOVE_FROM_FILTER_SHOWED_SCORE_PROPERTIES: prefix + 'REMOVE_FROM_FILTER_SHOWED_SCORE_PROPERTIES',
 

js/components/datasets/redux/dispatchActions.js

@@ -13,6 +13,7 @@ import {
   appendToScoreDatasetMap,
   appendToScoreCompoundMapByScoreCategory,
   updateFilterShowedScoreProperties,
+  setFilterShowedScoreProperties,
   setFilterProperties,
   setIsLoadingInspirationListOfMolecules,
   appendToInspirationMoleculeDataList,
@@ -339,6 +340,8 @@ export const selectScoreProperty = ({ isChecked, datasetID, scoreName }) => (dis
   const state = getState();
   const filteredScorePropertiesOfDataset = state.datasetsReducers.filteredScoreProperties[datasetID];
   const scoreDatasetMap = state.datasetsReducers.scoreDatasetMap[datasetID];
+  let scoreList = [];
+  let oldScoreList = [...filteredScorePropertiesOfDataset];
 
   if (isChecked === true) {
     if (filteredScorePropertiesOfDataset.length === COUNT_OF_VISIBLE_SCORES) {
@@ -348,20 +351,24 @@ export const selectScoreProperty = ({ isChecked, datasetID, scoreName }) => (dis
     // 2. select new property
     const selectedProperty = scoreDatasetMap[scoreName];
     filteredScorePropertiesOfDataset.push(selectedProperty);
+    scoreList = filteredScorePropertiesOfDataset;
     dispatch(
       updateFilterShowedScoreProperties({
         datasetID,
         scoreList: filteredScorePropertiesOfDataset
       })
     );
   } else {
+    scoreList = filteredScorePropertiesOfDataset.filter(item => item.name !== scoreName);
     dispatch(
       updateFilterShowedScoreProperties({
         datasetID,
         scoreList: filteredScorePropertiesOfDataset.filter(item => item.name !== scoreName)
       })
     );
   }
+
+  dispatch(setFilterShowedScoreProperties({ datasetID, scoreList, oldScoreList, isChecked, scoreName }));
 };
 
 export const loadInspirationMoleculesDataList = (inspirationList = []) => (dispatch, getState) => {

js/components/datasets/redux/reducer.js

@@ -7,6 +7,9 @@ export const INITIAL_STATE = {
   scoreDatasetMap: {}, // map of $datasetID and its $scoreList
   scoreCompoundMap: {}, // map of $compoundID and its $scoreList
 
+  selectedDatasetIndex: 0,
+  tabValue: 0,
+
   // filter
   filterDatasetMap: {}, // map of $datasetID and its $filterSettings
   filterPropertiesDatasetMap: {}, // map of $datasetID and its $filterProperties
@@ -138,7 +141,7 @@ export const datasetsReducers = (state = INITIAL_STATE, action = {}) => {
       return Object.assign({}, state, { datasets: action.payload });
 
     case constants.REPLACE_ALL_MOLECULELISTS:
-      return {...state, moleculeLists: action.payload};
+      return { ...state, moleculeLists: action.payload };
 
     case constants.ADD_MOLECULELIST:
       // initialize also control containers
@@ -161,6 +164,12 @@ export const datasetsReducers = (state = INITIAL_STATE, action = {}) => {
     case constants.SET_IS_LOADING_MOLECULE_LIST:
       return Object.assign({}, state, { isLoadingMoleculeList: action.payload });
 
+    case constants.SET_SELECTED_DATASET_INDEX:
+      return Object.assign({}, state, { selectedDatasetIndex: action.payload.value });
+
+    case constants.SET_TAB_VALUE:
+      return Object.assign({}, state, { tabValue: action.payload.value });
+
     case constants.SET_FILTER_SETTINGS:
       const { datasetID, filter } = action.payload;
       return { ...state, filterDatasetMap: { ...state.filterDatasetMap, [datasetID]: filter } };
@@ -347,7 +356,7 @@ export const datasetsReducers = (state = INITIAL_STATE, action = {}) => {
       return Object.assign({}, state, { inspirationFragmentList: [...diminishedInspirationFragmentList] });
 
     case constants.SET_ALL_INSPIRATIONS:
-      return {...state, allInspirations: action.payload};
+      return { ...state, allInspirations: action.payload };
 
     case constants.APPEND_MOLECULE_TO_COMPOUNDS_TO_BUY_OF_DATASET:
       const setOfMolecules = new Set(state.compoundsToBuyDatasetMap[action.payload.datasetID]);

js/components/nglView/redux/dispatchActions.js

@@ -57,9 +57,7 @@ export const toggleMoleculeGroup = (molGroupId, summaryViewStage) => (dispatch,
     ).catch(error => {
       throw new Error(error);
     });
-    dispatch(
-      clearAfterDeselectingMoleculeGroup()
-    );
+    dispatch(clearAfterDeselectingMoleculeGroup({ molGroupId }));
   }
 };