Merge branch 'master' into #617

m2ms · Sep 9, 2021 · e6326f2 · e6326f2
2 parents 3166422 + 1ffbf87
commit e6326f2
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Showing 8 changed files with 18 additions and 4 deletions.
diff --git a/README.md b/README.md
@@ -56,8 +56,7 @@ Clone repositories
 _Note: You might want to work on `frontend` fork._
 
 ```
-# git clone https://github.com/xchem/fragalysis-frontend.git
-git clone https://github.com/pavol-brunclik-m2ms/fragalysis-frontend.git
+git clone https://github.com/xchem/fragalysis-frontend.git
 ```
 
 _Note: Fork if any work is expected._

diff --git a/docker-compose.dev.vector.yml b/docker-compose.dev.vector.yml
@@ -45,7 +45,7 @@ services:
       POSTGRESQL_PORT: 5432
       NEO4J_AUTH: neo4j/test123
       OIDC_RP_CLIENT_SECRET: c6245428-04c7-466f-9c4f-58c340e981c2
-      DISCOURSE_API_KEY: 927ed885a97a707cf406a549c3dd7d4b1cd5a144f61ff51fa7baaaae1a65647a
+      DISCOURSE_API_KEY: d6036de5e412123b77048c0b92d42fb108484ea1eef2918d67b236802fa8cd4f
       FRAGALYSIS_BACKEND_SENTRY_DNS: https://27fa0675f555431aa02ca552e93d8cfb@o194333.ingest.sentry.io/1298290
       ISPYB_FLAG: 'False'
       DISCOURSE_DEV_POST_SUFFIX: '-boris-local'

diff --git a/js/components/common/Components/index.js b/js/components/common/Components/index.js
@@ -1 +1,2 @@
 export * from './ColorPicker';
+
diff --git a/js/components/preview/molecule/moleculeView.js b/js/components/preview/molecule/moleculeView.js
@@ -363,6 +363,7 @@ const MoleculeView = memo(
       // if (selectMoleculeSite) {
       //   selectMoleculeSite(data.site);
       // }
+
       dispatch(addLigand(stage, data, colourToggle, false, true, skipTracking));
     };
 

diff --git a/js/components/preview/molecule/redux/dispatchActions.js b/js/components/preview/molecule/redux/dispatchActions.js
@@ -61,6 +61,7 @@ import { readQualityInformation } from '../../../nglView/renderingHelpers';
 import { addSelectedTag } from '../../tags/redux/dispatchActions';
 import { CATEGORY_TYPE } from '../../../../constants/constants';
 
+
 /**
  * Convert the JSON into a list of arrow objects
  */

diff --git a/js/components/snapshot/downloadPdb.js b/js/components/snapshot/downloadPdb.js
@@ -61,7 +61,11 @@ const DownloadPdb = memo(({ targetOn, targetOnName, key }) => {
     const content = await zip.generateAsync({ type: 'blob' });*/
     //ileSaver.saveAs(content, fName + '.zip');
     var anchor = document.createElement('a');
-    anchor.href = data.results[0].zip_archive;
+    if (data.results[0].title == 'Mpro') {
+      anchor.href = 'https://zenodo.org/record/5226381/files/Mpro.zip?download=1'
+    } else {
+      anchor.href = data.results[0].zip_archive;
+    }
     anchor.target = '_blank';
     //anchor.download = data.fileName;
     anchor.click();

diff --git a/js/reducers/selection/actions.js b/js/reducers/selection/actions.js
@@ -191,13 +191,15 @@ export const removeFromDensityList = function(item, skipTracking = false) {
   };
 };
 
+
 export const setDensityListCustom = function(densityListCustom) {
   return {
     type: constants.SET_DENSITY_LIST_CUSTOM,
     densityListCustom: densityListCustom
   };
 };
 
+
 export const appendDensityListCustom = function(item, skipTracking = false) {
   return {
     type: constants.APPEND_DENSITY_LIST_CUSTOM,
@@ -214,6 +216,7 @@ export const removeFromDensityListCustom = function(item, skipTracking = false)
   };
 };
 
+
 export const setListAllForTagList = (listAll, skipTracking = false) => {
   return {
     type: constants.SET_LIST_ALL_FOR_TAG_LIST,
@@ -262,6 +265,7 @@ export const removeFromDisplayAllNGLList = (item, skipTracking = false) => {
   };
 };
 
+
 export const setQualityList = function(qualityList, skipTracking = false) {
   return {
     type: constants.SET_QUALITY_LIST,

diff --git a/js/reducers/selection/constants.js b/js/reducers/selection/constants.js
@@ -27,18 +27,21 @@ export const constants = {
   SET_DENSITY_LIST: prefix + 'SET_DENSITY_LIST',
   APPEND_DENSITY_LIST: prefix + 'APPEND_DENSITY_LIST',
   REMOVE_FROM_DENSITY_LIST: prefix + 'REMOVE_FROM_DENSITY_LIST',
+
   SET_DENSITY_LIST_CUSTOM: prefix + 'SET_DENSITY_LIST_CUSTOM',
   APPEND_DENSITY_LIST_CUSTOM: prefix + 'APPEND_DENSITY_LIST_CUSTOM',
   REMOVE_FROM_DENSITY_LIST_CUSTOM: prefix + 'REMOVE_FROM_DENSITY_LIST_CUSTOM',
   SET_QUALITY_LIST: prefix + 'SET_QUALITY_LIST',
   APPEND_QUALITY_LIST: prefix + 'APPEND_QUALITY_LIST',
   REMOVE_FROM_QUALITY_LIST: prefix + 'REMOVE_FROM_QUALITY_LIST',
+
   SET_LIST_ALL_FOR_TAG_LIST: prefix + 'SET_LIST_ALL_FOR_TAG_LIST',
   APPEND_TO_LIST_ALL_FOR_TAG_LIST: prefix + 'APPEND_TO_LIST_ALL_FOR_TAG_LIST',
   REMOVE_FROM_LIST_ALL_FOR_TAG_LIST: prefix + 'REMOVE_FROM_LIST_ALL_FOR_TAG_LIST',
   SET_DISPLAY_ALL_NGL_LIST: prefix + 'SET_DISPLAY_ALL_NGL_LIST',
   APPEND_TO_DISPLAY_ALL_NGL_LIST: prefix + 'APPEND_TO_DISPLAY_ALL_NGL_LIST',
   REMOVE_FROM_DISPLAY_ALL_NGL_LIST: prefix + 'REMOVE_FROM_DISPLAY_ALL_NGL_LIST',
+
   APPEND_INFORMATION_LIST: prefix + 'APPEND_INFORMATION_LIST',
   REMOVE_FROM_INFORMATION_LIST: prefix + 'REMOVE_FROM_INFORMATION_LIST',
   SET_VECTOR_ON_LIST: prefix + 'SET_VECTOR_ON_LIST',
@@ -69,6 +72,7 @@ export const constants = {
   APPEND_SELECTED_TAG_LIST: prefix + 'APPEND_SELECTED_TAG_LIST',
   REMOVE_FROM_SELECTED_TAG_LIST: prefix + 'REMOVE_FROM_SELECTED_TAG_LIST',
 
+
   RESET_COMPOUNDS_OF_VECTORS: prefix + 'RESET_COMPOUNDS_OF_VECTORS',
   UPDATE_VECTOR_COMPOUNDS: prefix + 'UPDATE_VECTOR_COMPOUNDS',
   RESET_BOND_COLOR_MAP_OF_VECTORS: prefix + 'RESET_BOND_COLOR_MAP_OF_VECTORS',
-Original file line number
+Diff line change
@@ Expand Up / @@ -363,6 +363,7 @@ const MoleculeView = memo( @@
           // if (selectMoleculeSite) {
           //   selectMoleculeSite(data.site);
           // }
           dispatch(addLigand(stage, data, colourToggle, false, true, skipTracking));
         };
@@ Expand Down @@