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m2ms · Feb 8, 2021 · 1a76895 · 1a76895
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commit 1a76895
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Showing 4 changed files with 74 additions and 2 deletions.
diff --git a/docker-compose.dev.vector.yml b/docker-compose.dev.vector.yml
@@ -0,0 +1,67 @@
+version: '3'
+
+services:
+  database:
+    image: postgres:12.2
+    volumes:
+      - ../data/postgre/data:/var/lib/postgresql
+    environment:
+      POSTGRES_PASSWORD: fragalysis
+      POSTGRES_USER: fragalysis
+      POSTGRES_DB: frag
+      PGDATA: /var/lib/postgresql/data/pgdata
+    ports:
+    - "5432:5432"
+  graph:
+    container_name: neo4j
+    image: informaticsmatters/fragnet-test:3.5.25-xchem-combi-sample-2021-02
+    ports:
+# Comment these two out in produciton
+      - "7474:7474"
+      - "7687:7687"
+    ulimits:
+      nofile:
+        soft: 40000
+        hard: 40000
+    volumes:
+      - ../data/neo4j/data:/data
+      - ../data/neo4j/logs:/logs
+    environment:
+      GRAPH_PASSWORD: test123
+      CYPHER_PRE_NEO4J_SLEEP: 0
+      NEO4J_dbms_memory_pagecache_size: 4G
+  web:
+    container_name: web_dock
+    image: xchem/fragalysis-stack:latest
+    command: /bin/bash /code/launch-stack.sh
+    volumes:
+      - ../data/logs:/code/logs/
+      - ../data/media:/code/media/
+      - ../fragalysis-frontend:/code/frontend
+    ports:
+      - "8080:80"
+    environment:
+      POSTGRESQL_DATABASE: frag
+      POSTGRESQL_USER: fragalysis
+      POSTGRESQL_PASSWORD: fragalysis
+      POSTGRESQL_HOST: database
+      POSTGRESQL_PORT: 5432
+      NEO4J_AUTH: neo4j/test123
+    depends_on:
+      - database
+      - graph
+  loader:
+    container_name: loader
+    image: loader:latest
+    volumes:
+      - ../data/input:/fragalysis
+      - ../data/media:/code/media
+    environment:
+      POSTGRESQL_DATABASE: frag
+      POSTGRESQL_USER: fragalysis
+      POSTGRESQL_PASSWORD: fragalysis
+      POSTGRESQL_HOST: database
+      POSTGRESQL_PORT: 5432
+      DATA_ORIGIN: EXAMPLE
+    depends_on:
+      - database
diff --git a/js/components/preview/compounds/redux/constants.js b/js/components/preview/compounds/redux/constants.js
@@ -37,3 +37,6 @@ export const compoundsColors = {
   [colors.purple]: { key: colors.purple, text: 'Purple', color: '#decbe4' },
   [colors.apricot]: { key: colors.apricot, text: 'Apricot', color: '#fed9a6' }
 };
+
+export const AUX_VECTOR_SELECTOR_DATASET_ID = 'vector_selector';
+
diff --git a/js/components/preview/compounds/redux/dispatchActions.js b/js/components/preview/compounds/redux/dispatchActions.js
@@ -25,11 +25,12 @@ import { generateCompoundMolObject } from '../../../nglView/generatingObjects';
 import { api, getCsrfToken, METHOD } from '../../../../utils/api';
 import { base_url } from '../../../routes/constants';
 import { loadFromServer } from '../../../../utils/genericView';
-import { compoundsColors } from './constants';
+import { compoundsColors, AUX_VECTOR_SELECTOR_DATASET_ID } from './constants';
 import {
   getCurrentVectorCompoundsFiltered,
   getMoleculeOfCurrentVector
 } from '../../../../reducers/selection/selectors';
+import {appendMoleculeToCompoundsOfDatasetToBuy, removeMoleculeFromCompoundsOfDatasetToBuy} from '../../../datasets/redux/actions';
 
 export const selectAllCompounds = () => (dispatch, getState) => {
   const state = getState();

diff --git a/js/components/preview/molecule/redux/dispatchActions.js b/js/components/preview/molecule/redux/dispatchActions.js
@@ -91,7 +91,8 @@ const generateBondColorMap = inputDict => {
 };
 
 const getViewUrl = (get_view, data) => {
-  return new URL(base_url + '/api/' + get_view + '/' + data.id + '/');
+  const url = new URL(base_url + '/api/' + get_view + '/' + data.id + '/');
+  return url;
 };
 
 const handleVector = (json, stage, data) => (dispatch, getState) => {