diff options
Diffstat (limited to 'lib/compound.rb')
| -rw-r--r-- | lib/compound.rb | 2 |
1 files changed, 1 insertions, 1 deletions
diff --git a/lib/compound.rb b/lib/compound.rb index 0714574..9c07626 100644 --- a/lib/compound.rb +++ b/lib/compound.rb @@ -136,7 +136,7 @@ module OpenTox # @return [OpenTox::Compound] def self.from_inchi inchi smiles = obconversion(inchi,"inchi","can") - smiles.empty? ? nil : Compound.find_or_create_by(:smiles => smiles, :inchi => inchi) + smiles.empty? ? nil : Compound.find_or_create_by(:smiles => smiles) end # Create a compound from SDF |