Chemcaster Ruby API

This is the Ruby interface for the Chemcaster RESTful Web API. It consists of basic functionality needed to create applications using chemical structure registration, storage, imaging, and search.

Installation

Installation through the Ruby Gem hosted on GitHub is recommended:

  # add GitHub to your local list of gem sources:
  gem sources -a http://gems.github.com/

  # install the gem:
  gem install metamolecular-chemcaster

Example Use

Connecting to the Service

   require 'rubygems'
   require 'chemcaster'

   service = Chemcaster::Service.connect 'username', 'password'

Because Chemcaster authenticates using SSL, you’ll need to make sure the Ruby HTTP library can find the root SSL certificates on your system. On Debian Linux systems, these files are found in /etc/ssl/certs. This is also the default location used by the Chemcaster Ruby Client.

To override the default SSL certificates path, pass the root_ca option to the connect method:

   service = Chemcaster::Service.connect 'username', 'password',
     :root_ca => 'path/to/root_ssl_certs'

More information can be found here:

• Making an HTTPS Web Request
• SSL Certificates and Net::HTTPS
• Verified HTTPS in Ruby

Loading a Registry from a Listing

   require 'rubygems'
   require 'chemcaster'

   service = Chemcaster::Service.connect 'username', 'password'
   registries = service.registries
   registries.size # => 3
   registry = registries[0]

Loading a Registry from a URI

   require 'rubygems'
   require 'chemcaster'

   Chemcaster::Service.connect 'username', 'password'

   link = Chemcaster::Link.new 'name'=> 'foo',
     'uri' => 'https://chemcaster.com/registries/123456',
     'media_type' => 'application/vnd.com.chemcaster.Registry+json'
   registry = link.get

Note: No assumptions should be made about Chemcaster URI layout. Once you receive a resource URI, you can expect it to work at any point in the future for random-access. But URI templates are unnecessary when accessing resources.

Creating a Registry

   require 'rubygems'
   require 'chemcaster'

   service = Chemcaster::Service.connect 'username', 'password'
   registries = service.registries

   registries.create :name => 'CarboBlocks, Inc.'

Changing a Registry Name

   require 'rubygems'
   require 'chemcaster'

   service = Chemcaster::Service.connect 'username', 'password'
   registry = service.registries[0]
   registry.update :name => 'CarboBlocks International, Inc.'

API Documentation

RDoc documentation is available at rdoc.info.