diff options
author | gebele <gebele@in-silico.ch> | 2016-01-14 09:33:33 +0000 |
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committer | gebele <gebele@in-silico.ch> | 2016-01-14 09:33:33 +0000 |
commit | e2e7045c3efeb59dd650b78772009281e7fa56a0 (patch) | |
tree | 008f36f2e0021112218d1c5cca303ecd7b5ce7d4 | |
parent | 03614aca09c66b5f98ccd61bb975f91b592d0e86 (diff) |
added simpler and safer weight conversionv8-nestec
-rw-r--r-- | lib/compound.rb | 19 |
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 |