#424 sorting still not what a human expects: needs to sort by *inferr…

…ed* number, not just by string

js/components/preview/molecule/helperConstants.js

@@ -1,3 +1,11 @@
+const main_identifier = 'x';
+const sub_identifier = '_';
+
+export const constants = {
+  MAIN_IDENTIFIER: main_identifier,
+  SUB_IDENTIFIER: sub_identifier
+};
+
 export const moleculeProperty = {
   mw: 'MW',
   logP: 'logP',

js/components/preview/molecule/moleculeList.js

@@ -280,7 +280,7 @@ export const MoleculeList = memo(({ height, setFilterItemsHeight, filterItemsHei
     joinedMoleculeLists = filterMolecules(joinedMoleculeLists, filter);
   } else {
     // default sort is by site
-    joinedMoleculeLists.sort((a, b) => a.site - b.site);
+    joinedMoleculeLists.sort((a, b) => a.site - b.site || a.number - b.number);
   }
 
   const loadNextMolecules = () => {

js/components/preview/molecule/redux/constants.js

@@ -2,7 +2,6 @@ const prefix = 'PREVIEW_MOLECULE_';
 
 export const constants = {
   SET_SORT_DIALOG_OPEN: prefix + 'SET_SORT_DIALOG_OPEN',
-
   RELOAD_REDUCER: prefix + 'RELOAD_REDUCER'
 };
 
@@ -14,12 +13,19 @@ export const MOL_ATTR = {
     color: '#72e5be',
     filter: false
   },
-  HID: {
+  /*  HID: {
     key: 'id',
     name: 'Hit ID (HID)',
     isFloat: false,
     color: '#daa520',
     filter: false
+  }, */
+  HID: {
+    key: 'number',
+    name: 'Hit ID (HID)',
+    isFloat: true,
+    color: '#daa520',
+    filter: false
   },
   MW: {
     key: 'MW',

js/components/preview/molecule/redux/selectors.js

@@ -1,10 +1,44 @@
 import { createSelector } from 'reselect';
+import { constants } from '../helperConstants';
 
 const getCachedMoleculeLists = state => state.apiReducers.cached_mol_lists;
 const getMoleculeGroupLists = state => state.apiReducers.mol_group_list;
 const getMoleculeGroupSelection = state => state.selectionReducers.mol_group_selection;
 const getObjectSelection = state => state.selectionReducers.object_selection;
 
+export function getNumberFromCode(inputCode) {
+  let number = 0;
+  let subNumber = 0;
+
+  let code = inputCode.toLowerCase();
+  let codeAfterIdentifier = code.split(constants.MAIN_IDENTIFIER)[1];
+
+  if (codeAfterIdentifier != null) {
+    let startingNumber = (codeAfterIdentifier.match(/\d+/) || [0])
+      .map(function(v) {
+        return +v;
+      })
+      .shift();
+
+    number = startingNumber;
+
+    if (codeAfterIdentifier.includes(constants.SUB_IDENTIFIER)) {
+      let codeAfterSubIdentifier = codeAfterIdentifier.split(constants.sub_identifier)[1];
+      if (codeAfterSubIdentifier != null) {
+        let startingSubNumber = (codeAfterSubIdentifier.match(/\d+/) || [0])
+          .map(function(v) {
+            return +v;
+          })
+          .shift();
+        subNumber = startingSubNumber;
+      }
+    }
+  }
+
+  let numberWithSub = +(number + '.' + subNumber);
+  return { number: numberWithSub };
+}
+
 export const selectJoinedMoleculeList = createSelector(
   getCachedMoleculeLists,
   getMoleculeGroupLists,
@@ -17,13 +51,17 @@ export const selectJoinedMoleculeList = createSelector(
       object_selection.forEach(obj => {
         const cachedData = cached_mol_lists[obj];
         const site = (mol_group_list || []).findIndex(group => group.id === obj) + 1;
+
         let cachedDataArray = [];
         if (cachedData && Array.isArray(cachedData)) {
           cachedDataArray = cachedData;
         } else if (cachedData && cachedData.results && Array.isArray(cachedData.results)) {
           cachedDataArray = cachedData.results;
         }
-        cachedDataArray.forEach(r => joinedMoleculeLists.push(Object.assign({ site: site }, r)));
+        cachedDataArray.forEach(r => {
+          let result = getNumberFromCode(r.protein_code);
+          joinedMoleculeLists.push(Object.assign({ site: site, number: result.number }, r));
+        });
       });
     }
     return joinedMoleculeLists;