- #1190 - compounds for LHS

xchem · Dec 13, 2023 · ecc3d6c · ecc3d6c
1 parent 839559a
commit ecc3d6c
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Showing 6 changed files with 69 additions and 33 deletions.
diff --git a/js/components/preview/molecule/moleculeList.js b/js/components/preview/molecule/moleculeList.js
@@ -75,6 +75,7 @@ import useDisableNglControlButtons from './useDisableNglControlButtons';
 import GroupNglControlButtonsContext from './groupNglControlButtonsContext';
 import { extractTargetFromURLParam } from '../utils';
 import { LoadingContext } from '../../loading';
+import { DJANGO_CONTEXT } from '../../../utils/djangoContext';
 
 const useStyles = makeStyles(theme => ({
   container: {
@@ -898,7 +899,12 @@ export const MoleculeList = memo(({ hideProjects }) => {
 
     <IconButton
       color={'inherit'}
-      disabled={!joinedMoleculeListsCopy.length || noTagsReceived || !tags.length}
+      disabled={
+        !joinedMoleculeListsCopy.length ||
+        noTagsReceived ||
+        !tags.length ||
+        DJANGO_CONTEXT['username'] === 'NOT_LOGGED_IN'
+      }
       onClick={event => {
         if (isTagEditorOpen === false) {
           setTagEditorAnchorEl(event.currentTarget);

diff --git a/js/components/preview/tags/api/tagsApi.js b/js/components/preview/tags/api/tagsApi.js
@@ -35,6 +35,14 @@ export const getAllDataNew = async targetId => {
   });
 };
 
+export const getCompoundsLHS = async targetId => {
+  return api({ url: `${base_url}/api/cmpdimg/?target=${targetId}` }).then(response => {
+    if (response?.data) {
+      return response.data?.results;
+    }
+  });
+};
+
 export const getTagMolecules = targetId => {
   return api({ url: `${base_url}/api/siteobservation_tag/?target=${targetId}` })
     .then(response => {

diff --git a/js/components/preview/tags/redux/dispatchActions.js b/js/components/preview/tags/redux/dispatchActions.js
@@ -27,11 +27,12 @@ import {
   setCategoryList,
   setTargetDataLoadingInProgress,
   setAllDataLoaded,
-  setMoleculeTags
+  setMoleculeTags,
+  setLHSCompoundsLIst
 } from '../../../../reducers/api/actions';
 import { setSortDialogOpen } from '../../molecule/redux/actions';
 import { resetCurrentCompoundsSettings } from '../../compounds/redux/actions';
-import { updateExistingTag, getTags, getAllDataNew, getTagCategories } from '../api/tagsApi';
+import { updateExistingTag, getTags, getAllDataNew, getTagCategories, getCompoundsLHS } from '../api/tagsApi';
 import {
   getMoleculeTagForTag,
   createMoleculeTagObject,
@@ -181,34 +182,42 @@ export const loadMoleculesAndTagsNew = targetId => async (dispatch, getState) =>
     dispatch(setNoTagsReceived(false));
   }
   const tagCategories = await getTagCategories();
-  return getAllDataNew(targetId).then(data => {
-    let allMolecules = [];
-    data?.results?.forEach(mol => {
-      let newObject = { ...mol };
-      const tagsForMol = getTagsForMol(mol.id, tags);
-      if (tagsForMol) {
-        newObject['tags_set'] = [...tagsForMol.map(t => t.id)];
-      } else {
-        newObject['tags_set'] = [];
-      }
-      allMolecules.push(newObject);
-    });
 
-    allMolecules?.sort((a, b) => {
-      if (a.code < b.code) {
-        return -1;
-      }
-      if (a.code > b.code) {
-        return 1;
-      }
-      return 0;
-    });
+  const data = await getAllDataNew(targetId);
+  let allMolecules = [];
+  data?.results?.forEach(mol => {
+    let newObject = { ...mol };
+    const tagsForMol = getTagsForMol(mol.id, tags);
+    if (tagsForMol) {
+      newObject['tags_set'] = [...tagsForMol.map(t => t.id)];
+    } else {
+      newObject['tags_set'] = [];
+    }
+    allMolecules.push(newObject);
+  });
 
-    dispatch(setAllMolLists([...allMolecules]));
-    //need to do this this way because only categories which have at least one tag assigned are sent from backend
-    tags = tags.sort(compareTagsAsc);
-    dispatch(setMoleculeTags(tags));
-    dispatch(setTagSelectorData(tagCategories, tags));
-    dispatch(setAllDataLoaded(true));
+  allMolecules?.sort((a, b) => {
+    if (a.code < b.code) {
+      return -1;
+    }
+    if (a.code > b.code) {
+      return 1;
+    }
+    return 0;
+  });
+
+  dispatch(setAllMolLists([...allMolecules]));
+  //need to do this this way because only categories which have at least one tag assigned are sent from backend
+  tags = tags.sort(compareTagsAsc);
+  dispatch(setMoleculeTags(tags));
+  dispatch(setTagSelectorData(tagCategories, tags));
+  dispatch(setAllDataLoaded(true));
+
+  return getCompoundsLHS(targetId).then(compounds => {
+    compounds?.forEach(c => {
+      const siteObs = allMolecules.find(m => m.cmpd === c.id);
+      c['smiles'] = siteObs ? siteObs.smiles : '';
+    });
+    dispatch(setLHSCompoundsLIst([...compounds]));
   });
 };
diff --git a/js/reducers/api/actions.js b/js/reducers/api/actions.js
@@ -98,6 +98,13 @@ export const setAllMolLists = all_mol_lists => {
   };
 };
 
+export const setLHSCompoundsLIst = lhs_compounds_list => {
+  return {
+    type: constants.SET_LHS_COMPOUNDS_LIST,
+    lhs_compounds_list: lhs_compounds_list
+  };
+};
+
 export const setMoleculeTags = moleculeTags => {
   return {
     type: constants.SET_MOLECULE_TAGS,

diff --git a/js/reducers/api/apiReducers.js b/js/reducers/api/apiReducers.js
@@ -50,7 +50,8 @@ export const INITIAL_STATE = {
   categoryList: [],
   target_data_loading_in_progress: false,
   all_data_loaded: false,
-  isSnapshot: false
+  isSnapshot: false,
+  lhs_compounds_list: []
 };
 
 export const RESET_TARGET_STATE = {
@@ -91,7 +92,8 @@ export const RESET_TARGET_STATE = {
   tagList: [],
   target_data_loading_in_progress: false,
   all_data_loaded: false,
-  snapshotLoadingInProgress: false
+  snapshotLoadingInProgress: false,
+  lhs_compounds_list: []
 };
 
 export default function apiReducers(state = INITIAL_STATE, action = {}) {
@@ -175,6 +177,9 @@ export default function apiReducers(state = INITIAL_STATE, action = {}) {
         return state;
       }
 
+    case constants.SET_LHS_COMPOUNDS_LIST:
+      return { ...state, lhs_compounds_list: action.lhs_compounds_list };
+
     case constants.SET_PANNDA_EVENT_LIST:
       return Object.assign({}, state, {
         pandda_event_list: action.pandda_event_list

diff --git a/js/reducers/api/constants.js b/js/reducers/api/constants.js
@@ -51,5 +51,6 @@ export const constants = {
   SET_TARGET_DATA_LOADING_IN_PROGRESS: prefix + 'SET_TARGET_DATA_LOADING_IN_PROGRESS',
   SET_ALL_DATA_LOADED: prefix + 'SET_ALL_DATA_LOADED',
   SET_SNAPSHOT_LOADING_IN_PROGRESS: prefix + 'SET_SNAPSHOT_LOADING_IN_PROGRESS',
-  SET_IS_SNAPSHOT: prefix + 'SET_IS_SNAPSHOT'
+  SET_IS_SNAPSHOT: prefix + 'SET_IS_SNAPSHOT',
+  SET_LHS_COMPOUNDS_LIST: prefix + 'SET_LHS_COMPOUNDS_LIST'
 };