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author | helma@in-silico.ch <helma@in-silico.ch> | 2018-10-10 14:58:44 +0200 |
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committer | helma@in-silico.ch <helma@in-silico.ch> | 2018-10-10 14:58:44 +0200 |
commit | 5d4ab5553e1928e573aa6671ba6a273308b24e21 (patch) | |
tree | eb7ec29c1356cf4ef1a88f0b9da36d273a99ef8c /test | |
parent | 3f793a7be36355f7a14d0fcb4198715124b4c2b9 (diff) |
more differentiated feature classes
Diffstat (limited to 'test')
-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 |