diff options
Diffstat (limited to 'test/feature.rb')
| -rw-r--r-- | test/feature.rb | 6 |
1 files changed, 3 insertions, 3 deletions
diff --git a/test/feature.rb b/test/feature.rb index 85ce588..c2bdbb5 100644 --- a/test/feature.rb +++ b/test/feature.rb @@ -55,15 +55,15 @@ class FeatureTest < MiniTest::Test end def test_physchem_description - assert_equal 346, PhysChem.descriptors.size - assert_equal 15, PhysChem.openbabel_descriptors.size + assert_equal 347, PhysChem.descriptors.size + assert_equal 16, PhysChem.openbabel_descriptors.size assert_equal 286, PhysChem.cdk_descriptors.size assert_equal 45, PhysChem.joelib_descriptors.size assert_equal 309, PhysChem.unique_descriptors.size end def test_physchem - assert_equal 346, PhysChem.descriptors.size + assert_equal 347, PhysChem.descriptors.size c = Compound.from_smiles "CC(=O)CC(C)C" logP = PhysChem.find_or_create_by :name => "Openbabel.logP" assert_equal 1.6215, c.calculate_properties([logP]).first |