From e2e7045c3efeb59dd650b78772009281e7fa56a0 Mon Sep 17 00:00:00 2001
From: gebele <gebele@in-silico.ch>
Date: Thu, 14 Jan 2016 09:33:33 +0000
Subject: added simpler and safer weight conversion

---
 lib/compound.rb | 19 ++++---------------
 1 file changed, 4 insertions(+), 15 deletions(-)

diff --git a/lib/compound.rb b/lib/compound.rb
index 4e62637..4d32e24 100644
--- a/lib/compound.rb
+++ b/lib/compound.rb
@@ -327,25 +327,14 @@ module OpenTox
         
     end
     
-    # Get mg from logmmol (for nch LOAEL/pTD50 data)
-    # @return [Float] value in mg
-    def logmmol_to_mg(value, mw)
-      mg = (10**(-1.0*value.to_f)*(mw.to_f*1000))
-      return mg
-    end
-
    # Get mg from mmol
    # @return [Float] value in mg
-   def mmol_to_mg(value, mw)
-      mg = (value.to_f)*(mw.to_f)
-      return mg
+   def mmol_to_mg mmol
+     mmol.to_f*molecular_weight
     end
 
-   # Get mg from logmg
-   # @return [Float] value in mg
-   def logmg_to_mg(value)
-      mg = 10**value.to_f
-      return mg
+   def mg_to_mmol mg
+     mg.to_f/molecular_weight
     end
     
     # Calculate molecular weight of Compound with OB and store it in object
-- 
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