module Ruspider::InchIAPI

InChI API www.chemspider.com/InChI.asmx

Constants

API

Public Class Methods

new(rest) click to toggle source
# File lib/ruspider/inchi_api.rb, line 13
def initialize(rest)
  @rest = rest
end

Public Instance Methods

get_original_mol(csid) click to toggle source
# File lib/ruspider/inchi_api.rb, line 17
def get_original_mol(csid)
  response = @rest.post(API, 'CSIDToMol', csid)
  response.text
end
inchi_key_to_csid(inchi_key) click to toggle source
# File lib/ruspider/inchi_api.rb, line 27
def inchi_key_to_csid(inchi_key)
  response = @rest.post(API, 'InChIKeyToCSID', inchi_key: inchi_key)
  get_nodes(Nokogiri::XML(response), 'string').first.content.to_i
end
inchi_to_csid(inchi) click to toggle source
# File lib/ruspider/inchi_api.rb, line 22
def inchi_to_csid(inchi)
  response = @rest.post(API, 'InChIToCSID', inchi: inchi)
  get_nodes(Nokogiri::XML(response), 'string').first.content.to_i
end