lib/compound.rb in opentox-ruby-0.0.2 vs lib/compound.rb in opentox-ruby-1.0.0

@@ -66,9 +66,15 @@
       c.inchi = RestClientWrapper.get("#{@@cactus_uri}#{URI.encode(name, Regexp.new("[^#{URI::PATTERN::UNRESERVED}]"))}/stdinchi").to_s.chomp
       c.uri = File.join(CONFIG[:services]["opentox-compound"],URI.escape(c.inchi))
       c
     end
 
+		# Get InChI
+    # @return [String] InChI string
+		def to_inchi
+      @inchi
+		end
+
 		# Get (canonical) smiles
     # @return [String] Smiles string
 		def to_smiles
 			Compound.obconversion(@inchi,'inchi','can')
 		end