From 64e5d2890f42cef112fbe768f6bfd54b746686de Mon Sep 17 00:00:00 2001
From: Christoph Helma <helma@in-silico.ch>
Date: Fri, 3 Dec 2010 14:37:09 +0100
Subject: underscore method added to String class

---
 lib/compound.rb | 6 ++++++
 1 file changed, 6 insertions(+)

(limited to 'lib/compound.rb')

diff --git a/lib/compound.rb b/lib/compound.rb
index 6834860..a85507b 100644
--- a/lib/compound.rb
+++ b/lib/compound.rb
@@ -68,6 +68,12 @@ module OpenTox
       c
     end
 
+		# Get InChI
+    # @return [String] InChI string
+		def to_inchi
+      @inchi
+		end
+
 		# Get (canonical) smiles
     # @return [String] Smiles string
 		def to_smiles
-- 
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