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author | Christoph Helma <helma@in-silico.ch> | 2019-08-24 15:06:53 +0200 |
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committer | Christoph Helma <helma@in-silico.ch> | 2019-08-24 15:06:53 +0200 |
commit | 8e1e8b94539dbdd74bd4ac28295cbfd1b84036ab (patch) | |
tree | 28528e19dc6ed4cca7ed824e939dedd6c4acc94c /test/feature.rb | |
parent | 1ee7de09c969e16fd11522d22179224e694b0161 (diff) | |
parent | 488ce9fe6d4b715680675861105b8c52a7535140 (diff) |
Merge remote-tracking branch 'origin/development'
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 |