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Ketcherails

Description

This gem provides the possibility to use Ketcher v1. editor with Rails and contains server actions implementations. Ketcher editor has been originally built by GGA Software

Usage

This is a self-mountable Rails engine.

Add it to your app Gemfile

gem 'ketcherails', git: 'https://github.com/ComPlat/ketcher-rails'

Inkscape should also be installed (sudo apt-get install inkscape for Linux).

To take advantage of the molecule common template features, the app should have a user model for Warden based authentication.

The User model should have/expose a boolean attribute 'is_templates_moderator' to authorize the template editing.

Or bypass this by stubbing the current_user (see f9d14e5 of a blank test app).

The user custom template feature also relies on user Warden authentication.

You need to set the application active_job handler (eg with DelayedJob see f147743)

Routes are mounted to /ketcher:

  • full page editor: /ketcher

  • client api demo editor: /ketcher/demo

  • Template management pages: /ketcher/common_templates

Insert the ketcher into an iframe; Molfile setter/getter, and SVG getter functions are available :

      <iframe width="80%" height="800" id="ifKetcher" src="/ketcher"></iframe>
      
      <script>
        function ketcher() {
          const ketcherFrame = document.getElementById('ifKetcher');
          if (ketcherFrame && ('contentDocument' in ketcherFrame)) {
            return ketcherFrame.contentWindow.ketcher;
          }
          return document.frames['ifKetcher'].window.ketcher;
        };
        function getSVG() {
          document.getElementById("result").innerHTML =  ketcher().getSVG();
        };
        function getMolfile() {
          document.getElementById("result").innerHTML = ketcher().getMolfile();
        };
        function setMolfile() {
          const molfile = "\n  Ketcher 06271817312D 1   1.00000     0.00000     0\n\n  3  3  0     0  0            999 V2000\n    1.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.5000   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0     0  0\n  2  3  1  0     0  0\n  1  3  1  0     0  0\nM  END\n$$$$\n"
          ketcher().setMolecule(molfile);
        };
      </script>

      <button onclick="getSVG()">get SVG</button>
      <button onclick="getMolfile()">get Molfile</button>
      <button onclick="setMolfile()">Draw cyclopropane</button>

(see app/view/ketcherails/ketcher/demo.html, or app/assets/javascripts/ketcher/demo.html, or go to ketcher/demo in your application)

License

This project uses GPLv3 license.

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