From 84222bae2bbb9fb3e0ce3e65de1be8e7f94d2147 Mon Sep 17 00:00:00 2001
From: Christoph Helma <helma@in-silico.ch>
Date: Tue, 12 Apr 2016 12:37:37 +0200
Subject: new dataset structure

---
 lib/compound.rb | 10 ++++------
 1 file changed, 4 insertions(+), 6 deletions(-)

(limited to 'lib/compound.rb')

diff --git a/lib/compound.rb b/lib/compound.rb
index a7518ed..84d8891 100644
--- a/lib/compound.rb
+++ b/lib/compound.rb
@@ -2,10 +2,8 @@ CACTUS_URI="http://cactus.nci.nih.gov/chemical/structure/"
 
 module OpenTox
 
-  class Compound
+  class Compound < Substance
     require_relative "unique_descriptors.rb"
-    include OpenTox
-
     DEFAULT_FINGERPRINT = "MP2D"
 
     field :inchi, type: String
@@ -347,14 +345,14 @@ module OpenTox
         
     end
     
-    # Convert mg to mmol
+    # Convert mmol to mg
     # @return [Float] value in mg
     def mmol_to_mg mmol
       mmol.to_f*molecular_weight
     end
 
-    # Convert mmol to mg
-    # @return [Float] value in mg
+    # Convert mg to mmol
+    # @return [Float] value in mmol
     def mg_to_mmol mg
       mg.to_f/molecular_weight
     end
-- 
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