merge develop into master

.eslintignore

@@ -0,0 +1,3 @@
+**/UMAP
+**/plugins
+**/workers

.eslintrc.js

@@ -0,0 +1,90 @@
+module.exports = {
+    root: true,
+    extends: [
+      "airbnb",
+      "airbnb-typescript",
+      "airbnb/hooks",
+      "eslint:recommended",
+      "plugin:import/recommended",
+      "plugin:react/recommended",
+      "plugin:@typescript-eslint/recommended",
+      "plugin:jest/recommended",
+      "plugin:prettier/recommended"
+    ],
+    plugins: ["react", "@typescript-eslint", "jest"],
+    ignorePatterns: ["*.js"],
+    env: {
+      browser: true,
+      es6: true,
+      jest: true
+    },
+    globals: {
+      Atomics: "readonly",
+      SharedArrayBuffer: "readonly",
+    },
+    parser: "@typescript-eslint/parser",
+    parserOptions: {
+      // Make sure eslint and VS Code use the same path for the tsconfig.json:
+      // https://github.com/typescript-eslint/typescript-eslint/issues/251
+      tsconfigRootDir: __dirname,
+      project: "./tsconfig.json",
+      ecmaVersion: 2018, 
+      sourceType: 'module'
+    },
+    rules: {
+      // Disables jsx-a11y https://github.com/import-js/eslint-plugin-import/blob/v2.25.4/docs/rules/no-webpack-loader-syntax.md
+      ...Object.keys(require('eslint-plugin-jsx-a11y').rules).reduce((acc, rule) => { acc[`jsx-a11y/${rule}`] = 'off'; return acc }, {}),
+      "class-methods-use-this":"off",
+      "linebreak-style": "off",
+      "no-continue": "off",
+      "no-multi-assign": "warn",
+      "no-nested-ternary": "off",
+      "no-param-reassign": ["error", { "props": false }],
+      "no-return-assign": "warn", 
+      "no-restricted-syntax": "off",
+      "no-plusplus": "off",
+      "no-prototype-builtins": "warn",
+      "no-minusminus": "off",
+      "no-underscore-dangle": "off",
+      "max-classes-per-file": "off",
+      "no-param-reassign": "warn",
+      "import/no-extraneous-dependencies": "off",
+      // Disable the following 2 lines because to allow webpack file-loaders syntax
+      "import/no-webpack-loader-syntax": "off",
+      "import/no-unresolved": "off",
+      "import/prefer-default-export": "off",
+      "import/order": "error",
+      "prefer-destructuring": ["warn", {"object": true, "array": false}],
+      "prefer-promise-reject-errors": "warn",
+      "prefer-spread": "warn",
+      "@typescript-eslint/ban-ts-comment": "warn",
+      "react/destructuring-assignment": "warn",
+      "react/jsx-props-no-spreading": "off",
+      "react/no-unused-class-component-methods": "warn",
+      "react/prop-types": "off",
+      "react/require-default-props": "off",
+      "no-await-in-loop": "off",
+      "eslint/no-shadow": "off",
+      "@typescript-eslint/no-shadow": "off",
+      "@typescript-eslint/default-param-last": "off",
+      "no-bitwise": "off",
+      "@typescript-eslint/no-explicit-any": "off",
+      "func-names": "off",
+      "@typescript-eslint/naming-convention": "off",
+      "no-param-reassign": "off",
+      "@typescript-eslint/no-useless-constructor": "off",
+      "@typescript-eslint/no-empty-function": "off",
+      "react/destructuring-assignment": "off",
+      "guard-for-in": "off",
+      "@typescript-eslint/ban-ts-comment": "off",
+      "no-alert": "off",
+      "no-console": "off",
+      "@typescript-eslint/ban-types": "off",
+      "react/static-property-placement": ["warn", "property assignment", {
+        childContextTypes: "static getter",
+        contextTypes: "static public field",
+        contextType: "static public field",
+        displayName: "static public field",
+      }]
+    }
+  }; 

.github/workflows/build.yml

@@ -0,0 +1,35 @@
+name: Build
+
+on: 
+  push:
+  workflow_dispatch:
+  schedule:
+    - cron: "15 1 * * *" # "At 01:15 on every day.”, see: https://crontab.guru/#15_1_*_*_*
+
+jobs:
+  build:
+    runs-on: ubuntu-latest
+
+    steps:
+    - uses: actions/checkout@v3
+
+    - name: Use Node 16.x
+      uses: actions/setup-node@v3
+      with:
+        node-version: 16.x
+
+    - name: Install dependencies
+      run: |
+        npm install --legacy-peer-deps
+
+    - name: Run test
+      run: |
+        npm run test
+
+    - name: Run lint
+      run: |
+        npm run lint
+
+    - name: Run build
+      run: |
+        npm run build

.gitignore

@@ -6,6 +6,8 @@ yarn-debug.log*
 yarn-error.log*
 lerna-debug.log*
 
+package-lock.json
+
 # Dist
 # dist/
 
@@ -91,4 +93,16 @@ typings/
 .dynamodb/
 
 # temp files
-/backend/temp-files
+/backend/temp-files
+/backend/session_data
+
+# large dataset
+/datasets/chemvis
+/dist/datasets/chemvis
+/datasets/reaction_optimization
+/dist/datasets/reaction_optimization
+
+# Backend
+__pycache__/
+*.egg-info/
+*.egg

.prettierrc.js

@@ -0,0 +1,6 @@
+module.exports = {
+    "endOfLine": "auto",
+    "singleQuote": true,
+    "trailingComma": "all",
+    "printWidth": 160
+  };

.vscode/settings.json

@@ -0,0 +1,4 @@
+{
+    "typescript.tsdk": "node_modules/typescript/lib",
+    "liveServer.settings.port": 5501
+}

README.md

@@ -172,3 +172,10 @@ https://www.npmjs.com/package/graphology-layout-forceatlas2
 
 
 
+
+
+# how to build:
+node version: 16
+install packages: "npm i --legacy-peer-deps"
+build code: "npm run build"
+