test/feature.rb in lazar-1.1.3 vs test/feature.rb in lazar-1.2.0

- old
+ new

@@ -53,18 +53,18 @@ original = Feature.where(:smarts => 'CN').first assert original.smarts, "CN" 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 jlogP = PhysChem.find_or_create_by :name => "Joelib.LogP" assert_equal 3.5951, c.calculate_properties([jlogP]).first