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| author | Christoph Helma <helma@in-silico.ch> | 2016-10-13 19:48:21 +0200 |
|---|---|---|
| committer | Christoph Helma <helma@in-silico.ch> | 2016-10-13 19:48:21 +0200 |
| commit | 2dc66aef3b7932105868ee8c7d32ad975e142d1b (patch) | |
| tree | d7c7e4bec5e931eda0ccf04a343f0ca3015e3b60 /lib/compound.rb | |
| parent | 160e75e696452ac61e651664ac56d16ce1c9c4b6 (diff) | |
compound tests fixed
Diffstat (limited to 'lib/compound.rb')
| -rw-r--r-- | lib/compound.rb | 5 |
1 files changed, 2 insertions, 3 deletions
diff --git a/lib/compound.rb b/lib/compound.rb index b47364c..6c53cde 100644 --- a/lib/compound.rb +++ b/lib/compound.rb @@ -300,9 +300,8 @@ module OpenTox # Calculate molecular weight of Compound with OB and store it in object # @return [Float] molecular weight def molecular_weight - mw_feature = PhysChem.find_or_create_by(:name => "Openbabel.MW").id.to_s - calculate_properties unless properties[mw_feature] - properties[mw_feature] + mw_feature = PhysChem.find_or_create_by(:name => "Openbabel.MW") + calculate_properties([mw_feature]).first end private |