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| author | helma@in-silico.ch <helma@in-silico.ch> | 2018-10-24 23:51:32 +0200 |
|---|---|---|
| committer | helma@in-silico.ch <helma@in-silico.ch> | 2018-10-24 23:51:32 +0200 |
| commit | 24e5f9cc16ba164f860620184dc39b024bc3d384 (patch) | |
| tree | 13145763baceae28faf6a7f901358399acd58871 /lib/compound.rb | |
| parent | 1652fd5df948da7ace622c73d158010add656b9f (diff) | |
dataset tests fixed
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 |