diff options
Diffstat (limited to 'lib/compound.rb')
| -rw-r--r-- | lib/compound.rb | 3 |
1 files changed, 2 insertions, 1 deletions
diff --git a/lib/compound.rb b/lib/compound.rb index 7a3dc5c..028a8cd 100644 --- a/lib/compound.rb +++ b/lib/compound.rb @@ -92,7 +92,8 @@ module OpenTox return nil #Compound.find_or_create_by(:warning => "SMILES parsing failed for '#{smiles}', this may be caused by an incorrect SMILES string.") else - Compound.find_or_create_by :smiles => obconversion(smiles,"smi","can") + #Compound.find_or_create_by :smiles => obconversion(smiles,"smi","can") + Compound.find_or_create_by(:smiles => smiles) end end |