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authorChristoph Helma <helma@in-silico.ch>2016-01-08 11:00:20 +0100
committerChristoph Helma <helma@in-silico.ch>2016-01-08 11:00:20 +0100
commitd6eced29e104b9bc1923b2ac89b2700a48adf07a (patch)
tree2323f6d57b172ff40a42a0de0aca648804625fb1 /lib/compound.rb
parente63e97086ac05e7a86f1a53bdcbc72eec0cabf16 (diff)
mg-mmol conversion fixed
Diffstat (limited to 'lib/compound.rb')
-rw-r--r--lib/compound.rb20
1 files changed, 2 insertions, 18 deletions
diff --git a/lib/compound.rb b/lib/compound.rb
index d5a4cbb..040fd6f 100644
--- a/lib/compound.rb
+++ b/lib/compound.rb
@@ -337,30 +337,15 @@ 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
def mg_to_mmol mg
mg.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
- end
# Calculate molecular weight of Compound with OB and store it in object
# @return [Float] molecular weight
@@ -371,7 +356,6 @@ module OpenTox
self["molecular_weight"].to_f
end
-
private
def self.obconversion(identifier,input_format,output_format,option=nil)