DEVNOTES.md

Prerequisites

Stable Node.js version

Build instructions

npm install
npm start

For production build:

npm run build

You could also build only the style with command

npm run style

Indigo Service

Ketcher uses Indigo Service for server operations. You can use --api-path parameter to start with it:

npm start -- --api-path=<server-url>

For production build:

npm run build -- --api-path=<server-url>

You can find the instruction for service installation here.

3D Viewer

Ketcher uses Miew for viewing and editing data in 3D. For use of this functionality you need to add parameter --miew-path, having specified a path to directory with Miew files: Miew.min.js and Miew.min.css:

npm start -- --miew-path=<miew-dir>

For production build:

npm run build -- --miew-path=<miew-dir>

You can find the latest version of viewer here. The last checked version - 0.7.13.

Tests instructions

You can start tests for input/output .mol-files and render.

npm test

Tests are started for all structures in test/fixtures directory.

To start the tests separately:

npm run test-io
npm run test-render

Parameters

You can use following parameters to start the tests:

• --fixtures - for the choice of a specific directory with molecules
• --headless - for start of the browser in headless mode

npm run test-render -- --fixtures=fixtures/super --headless

If you have added new structures for testing to the test/fixtures directory you have to generate svg from them for correct render-test with:

npm run generate-svg    

Simple server

Place this docker-compose.yml file at the root of your repository

version: '3'
services:
  nginx:
    image: nginx:1.17.10-alpine
    ports:
      - 8080:80
    volumes:
      - ./nginx:/etc/nginx/conf.d:ro
      - ./ketcher:/srv/www:ro
    links:
      - indigo_service
    depends_on:
      - indigo_service

  indigo_service:
    image: epmlsop/indigo_service
    environment:
      - PYTHONPATH=${INDIGO_SERVICE_PYTHONPATH:-/srv/indigo-python}
      - INDIGO_UWSGI_RUN_PARAMETERS=--plugin python3 --py-autoreload=1
      - PYTHONDONTWRITEBYTECODE=1
    ports:
      - 8002:8002
    command: supervisord -n

Copy Ketcher files under ketcher/ folder Add this file under nginx/defaut.conf

server {
  listen 80;
  keepalive_timeout 5;

  # The following configuration are related to the indigo service
  # see here https://lifescience.opensource.epam.com/indigo/service/index.html
  location / {
    root /srv/www;
    index ketcher.html;
    try_files $uri $uri/ @indigoservice;
  }

  location @indigoservice {
    # Should be set 'always' to transfer our lovely HTTP500 errors
    # Headers could be also set by Flasgger in service/config.py
    add_header 'Access-Control-Allow-Origin' '*' always;
    add_header 'Access-Control-Allow-Methods' 'POST, GET, PUT, DELETE, OPTIONS' always;
    add_header 'Access-Control-Allow-Headers' 'Accept, Content-Type' always;
    add_header 'Access-Control-Max-Age' '86400' always;
    include uwsgi_params;
    uwsgi_pass indigo_service:8002;
  }
}

Run

docker-compose up -d

Service with Ketcher will be run under localhost:8080/ketcher.html