xchem · boriskovar-m2ms · Sep 26, 2024 · Jul 31, 2024 · Aug 22, 2024 · Aug 27, 2024
diff --git a/js/components/header/index.js b/js/components/header/index.js
@@ -68,6 +68,7 @@ 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';
 
 const useStyles = makeStyles(theme => ({
   padding: {
@@ -272,8 +273,8 @@ export default memo(
                   targetName !== undefined ? (
                     <>
                       {currentProject.authorID === null ||
-                      currentProject.projectID === null ||
-                      currentProject.authorID === userId ? (
+                        currentProject.projectID === null ||
+                        currentProject.authorID === userId ? (
                         <Button
                           onClick={() => {
                             isProjectModalLoading === false
@@ -574,6 +575,29 @@ export default memo(
                 </ListItemIcon>
                 <ListItemText primary="Contributors" />
               </ListItem>
+              {DJANGO_CONTEXT.pk &&
+                <>
+                  <Divider />
+                  <ListItem button onClick={() => openLink(URLS.lhsUpload)}>
+                    <ListItemIcon>
+                      <Upload />
+                    </ListItemIcon>
+                    <ListItemText primary="LHS upload" />
+                  </ListItem>
+                  <ListItem button onClick={() => openLink(URLS.rhsUpload)}>
+                    <ListItemIcon>
+                      <Upload />
+                    </ListItemIcon>
+                    <ListItemText primary="RHS upload" />
+                  </ListItem>
+                  <ListItem button onClick={() => openLink(URLS.metadataUpload)}>
+                    <ListItemIcon>
+                      <Upload />
+                    </ListItemIcon>
+                    <ListItemText primary="Metadata upload" />
+                  </ListItem>
+                </>
+              }
               <Divider />
               {authListItem}
             </Grid>

diff --git a/js/components/preview/molecule/moleculeView/moleculeView.js b/js/components/preview/molecule/moleculeView/moleculeView.js
@@ -358,6 +358,8 @@ export const img_data_init = `<svg xmlns="http://www.w3.org/2000/svg" version="1
     <animateTransform attributeName="transform" type="rotate" repeatCount="indefinite" dur="0.689655172413793s" values="0 50 50;360 50 50" keyTimes="0;1"></animateTransform>
   </circle>  '</svg>`;
 
+export const XCA_TAGS_CATEGORIES = ['CanonSites', 'ConformerSites', 'Quatassemblies', 'Crystalforms', 'CrystalformSites'];
+
 const MoleculeView = memo(
   ({
     imageHeight,
@@ -476,9 +478,6 @@ const MoleculeView = memo(
       setTagEditModalOpenNew(tagEditorOpenObs);
     }, [tagEditorOpenObs]);
 
-    const XCA_TAGS_CATEGORIES = ['CanonSites', 'ConformerSites', 'Quatassemblies', 'Crystalforms', 'CrystalformSites'];
-    const XCA_TAGS_CATEGORIES_EXPANDED = ['Quatassemblies', 'ConformerSites', 'Crystalforms', 'CrystalformSites', 'CanonSites'];
-
     useEffect(() => {
       api({
         url: `${base_url}/api/canon_site_confs/`,
@@ -523,7 +522,7 @@ const MoleculeView = memo(
           setHeaderWidthsHandler(getTagLabel(tagCategory), tagCategory);
         })
       }
-    }, [showExpandedView, getTagType, getTagLabel, centroidRes, data.longcode, setHeaderWidthsHandler, XCA_TAGS_CATEGORIES]);
+    }, [showExpandedView, getTagType, getTagLabel, centroidRes, data.longcode, setHeaderWidthsHandler]);
 
     const handlePopoverOpen = event => {
       setTagPopoverOpen(event.currentTarget);
@@ -1428,7 +1427,6 @@ const MoleculeView = memo(
                   xs={5}
                   container
                   direction="row"
-                  justifyContent="center"
                   alignItems="center"
                   // wrap="nowrap"
                   style={{ height: "100%" }}
@@ -1488,7 +1486,7 @@ const MoleculeView = memo(
               </div>}
           </Grid>
           {showExpandedView && <Grid item container alignItems='center' wrap="nowrap">
-            {XCA_TAGS_CATEGORIES_EXPANDED.map((tagCategory, index) => {
+            {XCA_TAGS_CATEGORIES.map((tagCategory, index) => {
               return <Tooltip title={`${PLURAL_TO_SINGULAR[tagCategory]} - ${getTagTooltip(tagCategory)}`} key={index}>
                 <Grid item align="center" className={classes.categoryCell} style={{ minWidth: headerWidths[tagCategory] }}>
                   {getTagLabel(tagCategory)}

diff --git a/js/components/preview/molecule/observationCmpView/observationCmpView.js b/js/components/preview/molecule/observationCmpView/observationCmpView.js
@@ -1611,7 +1611,7 @@ const ObservationCmpView = memo(
             {/* CanonSites */}
             <Grid item xs container direction="column" justifyContent="center" alignItems="stretch" wrap="nowrap">
               <Tooltip
-                title={<div style={{ whiteSpace: 'pre-line' }}>CanonSite - {getCanonSitesTag().upload_name}</div>}
+                title={<div style={{ whiteSpace: 'pre-line' }}>CanonSite - {getCanonSitesTag().tag}</div>}
               >
                 <Grid
                   item
@@ -1631,7 +1631,7 @@ const ObservationCmpView = memo(
               {getConformerSites().map((conformerSite, i, sites) => (
                 <Tooltip
                   key={conformerSite.id + i}
-                  title={<div style={{ whiteSpace: 'pre-line' }}>ConformerSite - {conformerSite.upload_name}</div>}
+                  title={<div style={{ whiteSpace: 'pre-line' }}>ConformerSite - {conformerSite.tag}</div>}
                 >
                   <Grid
                     item

diff --git a/js/components/preview/molecule/observationsDialog.js b/js/components/preview/molecule/observationsDialog.js
@@ -53,6 +53,7 @@ import { updateLHSCompound, updateMoleculeInMolLists, updateMoleculeTag, updateT
 import { createPoseErrorMessage } from './api/poseApi';
 import { augumentTagObjectWithId, createMoleculeTagObject, DEFAULT_TAG_COLOR, getMoleculeTagForTag } from '../tags/utils/tagUtils';
 import { updateExistingTag } from '../tags/api/tagsApi';
+import { XCA_TAGS_CATEGORIES } from './moleculeView/moleculeView';
 
 const MIN_PANEL_HEIGHT = 250;
 
@@ -277,11 +278,11 @@ export const ObservationsDialog = memo(
     const [tagEditorAnchorEl, setTagEditorAnchorEl] = useState(null);
     const [expandView, setExpandView] = useState(null);
     const [headerWidths, setHeaderWidths] = useState({
-      Quatassemblies: getCalculatedTagColumnWidth('Quatassemblies'),
+      CanonSites: getCalculatedTagColumnWidth('CanonSites'),
       ConformerSites: getCalculatedTagColumnWidth('ConformerSites'),
+      Quatassemblies: getCalculatedTagColumnWidth('Quatassemblies'),
       Crystalforms: getCalculatedTagColumnWidth('Crystalforms'),
       CrystalformSites: getCalculatedTagColumnWidth('CrystalformSites'),
-      CanonSites: getCalculatedTagColumnWidth('CanonSites'),
       CentroidRes: getCalculatedTagColumnWidth('CentroidRes'),
       LongCode: getCalculatedTagColumnWidth('LongCode'),
     });
@@ -292,7 +293,7 @@ export const ObservationsDialog = memo(
      * @param {*} tagCategory
      */
     const setHeaderWidthsHandler = (tagText, tagCategory) => {
-      const calculatedWidth = getCalculatedTagColumnWidth(tagText, '12px bold');
+      const calculatedWidth = getCalculatedTagColumnWidth(tagText, 'bold 12px');
       if (headerWidths[tagCategory] < calculatedWidth) {
         setHeaderWidths(old => {
           const newWidths = { ...old };
@@ -984,11 +985,10 @@ export const ObservationsDialog = memo(
                             item
                             xs
                             container
-                            justifyContent="space-around"
-                            // adjust maxWidth if headers are a bit misplaced
-                            style={{ maxWidth: '74%', marginLeft: 95 }}
+                            alignItems="center"
+                            style={{ marginLeft: 95 }}
                           >
-                            {['Quatassemblies', 'ConformerSites', 'Crystalforms', 'CrystalformSites', 'CanonSites'].map(
+                            {XCA_TAGS_CATEGORIES.map(
                               (tagCategory, index) => (
                                 <Grid item align="center" key={index} className={classes.headerCell} style={{ minWidth: headerWidths[tagCategory] }}>
                                   {PLURAL_TO_SINGULAR[tagCategory]}

diff --git a/js/components/preview/tags/api/tagsApi.js b/js/components/preview/tags/api/tagsApi.js
@@ -11,15 +11,15 @@ import { getDefaultTagDiscoursePostText } from '../utils/tagUtils';
 //   });
 // };
 
-export const getTags = targetId => {
+export const getTags = async targetId => {
   return api({ url: `${base_url}/api/siteobservation_tag/?target=${targetId}` }).then(response => {
     if (response?.data) {
       return response.data;
     }
   });
 };
 
-export const getTagCategories = () => {
+export const getTagCategories = async () => {
   return api({ url: `${base_url}/api/tag_category/` }).then(response => {
     if (response?.data) {
       return response.data?.results;
@@ -67,7 +67,7 @@ export const getTagMolecules = targetId => {
     .catch(err => console.log(err));
 };
 
-export const createNewTag = (tag, targetName) => {
+export const createNewTag = async (tag, targetName) => {
   let url = `${base_url}/api/siteobservation_tag/`;
   if (isDiscourseAvailable()) {
     return createTagPost(tag, targetName, getDefaultTagDiscoursePostText(tag))
@@ -101,7 +101,7 @@ export const createNewTag = (tag, targetName) => {
   }
 };
 
-export const createNewDownloadTag = tag => {
+export const createNewDownloadTag = async tag => {
   let url = `${base_url}/api/siteobservation_tag/`;
   const jsonString = JSON.stringify(tag);
   return api({
@@ -115,7 +115,7 @@ export const createNewDownloadTag = tag => {
     .catch(err => console.log(err));
 };
 
-export const updateExistingTag = (tag, tagId) => {
+export const updateExistingTag = async (tag, tagId) => {
   const jsonString = JSON.stringify(tag);
   let url = `${base_url}/api/siteobservation_tag/${tagId}/`;
   return api({
@@ -129,7 +129,7 @@ export const updateExistingTag = (tag, tagId) => {
     .catch(err => console.log(err));
 };
 
-export const getTagByName = tagName => {
+export const getTagByName = async tagName => {
   let url = `${base_url}/api/siteobservation_tag/?tag=${tagName}`;
   return api({ url: url }).then(response => {
     if (response?.data?.results?.length > 0) {
@@ -138,7 +138,7 @@ export const getTagByName = tagName => {
   });
 };
 
-export const deleteExistingTag = (tag, tagId) => {
+export const deleteExistingTag = async (tag, tagId) => {
   const jsonString = JSON.stringify(tag);
   let url = `${base_url}/api/siteobservation_tag/${tagId}/`;
   return api({

diff --git a/js/components/preview/tags/modal/editTagsModal.js b/js/components/preview/tags/modal/editTagsModal.js
@@ -12,6 +12,7 @@ import { removeSelectedTag, updateTagProp } from "../redux/dispatchActions";
 import { getCategoryById } from "../../molecule/redux/dispatchActions";
 import { ToastContext } from "../../../toast";
 import { TAG_DETAILS_REMOVED_CATEGORIES } from "../../../../constants/constants";
+import { setTagToEdit } from "../../../../reducers/selection/actions";
 
 const useStyles = makeStyles(theme => ({
     leftSide: {
@@ -44,9 +45,9 @@ export const EditTagsModal = memo(({ open, anchorEl, setOpenDialog }) => {
     const allMolList = useSelector(state => state.apiReducers.all_mol_lists);
     const moleculesToEditIds = useSelector(state => state.selectionReducers.moleculesToEdit);
     const selectedTagList = useSelector(state => state.selectionReducers.selectedTagList);
+    const tag = useSelector(state => state.selectionReducers.tagToEdit);
 
     const id = open ? 'simple-popover-tags-editor' : undefined;
-    const [tag, setTag] = useState(null);
     const [tags, setTags] = useState([NEW_TAG]);
     const [newTagColor, setNewTagColor] = useState(DEFAULT_TAG_COLOR);
     const [newTagName, setNewTagName] = useState('');
@@ -90,7 +91,7 @@ export const EditTagsModal = memo(({ open, anchorEl, setOpenDialog }) => {
         });
         setTags([NEW_TAG, ...newTagList.sort(compareTagsByCategoryAndNameAsc)]);
         return () => {
-            setTag(null);
+            // dispatch(setTagToEdit(null)); // uncomment this to reset tag after update - clean up moved to resetTagToEditState
             setTags([NEW_TAG]);
         };
     }, [preTagList, tagCategories]);
@@ -105,7 +106,7 @@ export const EditTagsModal = memo(({ open, anchorEl, setOpenDialog }) => {
             setNewTagLink(tag.discourse_url);
             setNewHidden(tag.hidden || false);
         }
-    }, [dispatch, getColourForTag, tag]);
+    }, [getColourForTag, tag]);
 
     const comboCategories = useMemo(() => {
         return getEditNewTagCategories(tagCategories);
@@ -139,6 +140,7 @@ export const EditTagsModal = memo(({ open, anchorEl, setOpenDialog }) => {
         setNewTagName('');
         setNewTagLink('');
         setNewHidden(false);
+        dispatch(setTagToEdit(null));
     };
 
     const onCategoryForNewTagChange = event => {
@@ -211,15 +213,15 @@ export const EditTagsModal = memo(({ open, anchorEl, setOpenDialog }) => {
         }
     };
 
-    const updateTag = () => {
+    const updateTag = async () => {
         if (validateTag() && tag && newTagCategory && newTagName) {
             if (!tag.hidden && newHidden && selectedTagList.some(selectedTag => selectedTag.id === tag.id)) {
                 dispatch(removeSelectedTag(tag));
                 toastWarning('Tag was automatically deselected because of becoming hidden', { autoHideDuration: 5000 });
             }
             // update all props at once
             if (newTagCategory) {
-                dispatch(
+                const updatedTag = await dispatch(
                     updateTagProp(
                         Object.assign({}, tag, {
                             category: newTagCategory,
@@ -232,8 +234,9 @@ export const EditTagsModal = memo(({ open, anchorEl, setOpenDialog }) => {
                         'tag'
                     )
                 );
+                dispatch(setTagToEdit(updatedTag));
             } else {
-                dispatch(
+                const updatedTag = await dispatch(
                     updateTagProp(
                         Object.assign({}, tag, {
                             colour: newTagColor,
@@ -245,10 +248,9 @@ export const EditTagsModal = memo(({ open, anchorEl, setOpenDialog }) => {
                         'tag'
                     )
                 );
+                dispatch(setTagToEdit(updatedTag));
             }
             toastInfo('Tag was updated', { autoHideDuration: 5000 });
-            // reset tag/fields after updating selected one
-            resetTagToEditState();
         }
     };
 
@@ -278,6 +280,7 @@ export const EditTagsModal = memo(({ open, anchorEl, setOpenDialog }) => {
     const handleCloseModal = () => {
         if (open) {
             setOpenDialog(false);
+            resetTagToEditState();
         }
     };
 
@@ -326,7 +329,7 @@ export const EditTagsModal = memo(({ open, anchorEl, setOpenDialog }) => {
                     {rightSide(
                         <Select
                             value={tag?.id || 0}
-                            onChange={(event) => setTag(tags.find(tag => tag.id === event.target.value))}
+                            onChange={(event) => dispatch(setTagToEdit(tags.find(tag => tag.id === event.target.value)))}
                             fullWidth
                         >
                             {tags?.map(tag => (

diff --git a/js/components/preview/tags/redux/dispatchActions.js b/js/components/preview/tags/redux/dispatchActions.js
@@ -127,9 +127,16 @@ export const storeData = data => (dispatch, getState) => {
   dispatch(setTagSelectorData(categories, tags));
 
   let allMolecules = [];
-  data.molecules.forEach(mol => {});
+  data.molecules.forEach(mol => { });
 };
 
+/**
+ *
+ * @param {Object} tag tag object
+ * @param {*} value new value
+ * @param {*} prop name of the prop to be updated
+ * @returns {Promise<Object>}
+ */
 export const updateTagProp = (tag, value, prop) => (dispatch, getState) => {
   const state = getState();
   const molTags = state.apiReducers.moleculeTags;

diff --git a/js/components/routes/constants.js b/js/components/routes/constants.js
@@ -9,6 +9,10 @@ export const URLS = {
   funders: '/viewer/react/funders/',
   target: '/viewer/react/preview/target/',
 
+  lhsUpload: '/api/upload_target_experiments/',
+  rhsUpload: '/viewer/upload_cset/',
+  metadataUpload: '/api/metadata_upload/',
+
   // Projects feature
   projects: '/viewer/react/projects/',
   // Direct feature