classyfire_api/lib/classyfire_api.rb

require 'JSON'
require 'RestClient'

module ClassyFireAPI
  URL = 'http://classyfire.wishartlab.com'

  def ClassyFireAPI.submit_query(label,input)
    begin
      RestClient.post URL+'/queries', {:label => label, :query_input => input}.to_json, :accept => :json, :content_type => :json
    rescue RestClient::BadRequest => e
      e.response
    rescue  RestClient::InternalServerError => e
      e.response
    rescue RestClient::GatewayTimeout => e
      e.response
    rescue RestClient::RequestTimeout => e
      e.response
    end
  end

  def ClassyFireAPI.get_query(query_id,format="json")
    # format can be either 'json' or 'sdf'
    begin
      if format == "json"
        puts "#{URL}/queries/#{query_id}.json"
        RestClient.get "#{URL}/queries/#{query_id}.json", :accept => :json
      elsif format == "sdf"
        puts "#{URL}/queries/#{query_id}.sdf"
        RestClient.get "#{URL}/queries/#{query_id}.sdf", :accept => :sdf
      end
    rescue RestClient::ResourceNotFound => e
      e.response
    rescue  RestClient::InternalServerError => e
      e.response
    rescue RestClient::GatewayTimeout => e
      e.response
    rescue RestClient::RequestTimeout => e
      e.response
    end      
  end

  def ClassyFireAPI.get_entity_classification(inchikey,format="json")
    # format can be either 'json' or 'sdf'
    inchikey_id = inchikey.to_s.gsub('InChIKey=','')
    begin
      if format == "json"
        RestClient.get "#{URL}/entities/#{inchikey_id}.#{format}", :accept => :json
      elsif format == "sdf"
        RestClient.get "#{URL}/entities/#{inchikey_id}.#{format}", :accept => :sdf
      end 
    rescue RestClient::ResourceNotFound => e
      e.response
    rescue  RestClient::InternalServerError => e
      e.response
    rescue RestClient::GatewayTimeout => e
      e.response
    rescue RestClient::RequestTimeout => e
      e.response
    end
  end

  def ClassyFireAPI.query_status(query_id)
    s = JSON.parse(get_query(query_id))
    if s['error']
      s
    elsif s['classification_status:']
      s['classification_status']
    end
  end
end