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| author | Christoph Helma <helma@in-silico.ch> | 2016-10-13 10:47:19 +0200 |
|---|---|---|
| committer | Christoph Helma <helma@in-silico.ch> | 2016-10-13 10:47:19 +0200 |
| commit | c3a7e75cb36908da36d155cad5478800e32aaf5f (patch) | |
| tree | 16f92f08e8e5eb11c11ce2189217df59201d5237 /test/compound.rb | |
| parent | 8d325866dd7cacdd04bd2306a9144a5e7300c7c8 (diff) | |
test_physchem fixed
Diffstat (limited to 'test/compound.rb')
| -rw-r--r-- | test/compound.rb | 4 |
1 files changed, 1 insertions, 3 deletions
diff --git a/test/compound.rb b/test/compound.rb index 76471ac..d1cfb3d 100644 --- a/test/compound.rb +++ b/test/compound.rb @@ -124,9 +124,7 @@ print c.sdf def test_physchem c = OpenTox::Compound.from_smiles "CC(=O)CC(C)C" - p c.calculated_properties assert_equal PhysChem::OPENBABEL.size, c.calculated_properties.size - assert_equal PhysChem::OPENBABEL.size, c.calculated_properties(PhysChem.openbabel_descriptors).size - assert_equal PhysChem::unique_descriptors.size, c.calculated_physchem(PhysChem.unique_descriptors).size + assert_equal PhysChem::OPENBABEL.size, c.calculated_properties(["PhysChem::OPENBABEL"]).size end end |