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authorgebele <gebele@in-silico.ch>2016-01-14 09:33:33 +0000
committergebele <gebele@in-silico.ch>2016-01-14 09:33:33 +0000
commite2e7045c3efeb59dd650b78772009281e7fa56a0 (patch)
tree008f36f2e0021112218d1c5cca303ecd7b5ce7d4 /lib/compound.rb
parent03614aca09c66b5f98ccd61bb975f91b592d0e86 (diff)
added simpler and safer weight conversionv8-nestec
Diffstat (limited to 'lib/compound.rb')
-rw-r--r--lib/compound.rb19
1 files 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