From f61b7d3c65d084747dc1bf87214e5ec0c57326be Mon Sep 17 00:00:00 2001
From: Christoph Helma <helma@in-silico.ch>
Date: Tue, 9 Feb 2016 11:04:00 +0100
Subject: pls regression

---
 lib/compound.rb | 6 ++++--
 1 file changed, 4 insertions(+), 2 deletions(-)

(limited to 'lib/compound.rb')

diff --git a/lib/compound.rb b/lib/compound.rb
index 040fd6f..8f37247 100644
--- a/lib/compound.rb
+++ b/lib/compound.rb
@@ -38,7 +38,7 @@ module OpenTox
       compound
     end
 
-    def fingerprint type="MP2D"
+    def fingerprint type=DEFAULT_FINGERPRINT
       unless fingerprints[type]
         return [] unless self.smiles
         #http://openbabel.org/docs/dev/FileFormats/MolPrint2D_format.html#molprint2d-format
@@ -337,12 +337,14 @@ module OpenTox
         
     end
     
-    # Get mg from mmol
+    # Convert mg to mmol
     # @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
     def mg_to_mmol mg
       mg.to_f/molecular_weight
     end
-- 
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