diff options
Diffstat (limited to 'lib/compound.rb')
-rw-r--r-- | lib/compound.rb | 10 |
1 files changed, 4 insertions, 6 deletions
diff --git a/lib/compound.rb b/lib/compound.rb index a7518ed..84d8891 100644 --- a/lib/compound.rb +++ b/lib/compound.rb @@ -2,10 +2,8 @@ CACTUS_URI="http://cactus.nci.nih.gov/chemical/structure/" module OpenTox - class Compound + class Compound < Substance require_relative "unique_descriptors.rb" - include OpenTox - DEFAULT_FINGERPRINT = "MP2D" field :inchi, type: String @@ -347,14 +345,14 @@ module OpenTox end - # Convert mg to mmol + # Convert mmol to mg # @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 + # Convert mg to mmol + # @return [Float] value in mmol def mg_to_mmol mg mg.to_f/molecular_weight end |