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| author | Christoph Helma <helma@in-silico.ch> | 2017-01-12 17:57:03 +0100 |
|---|---|---|
| committer | Christoph Helma <helma@in-silico.ch> | 2017-01-12 17:57:03 +0100 |
| commit | d7504cc422bbaeee3546589d87e7baeb4e977c0b (patch) | |
| tree | f5c06159d0a529f263ea25f6354f89825fc41410 /test/feature.rb | |
| parent | 85553b339acf3f9285a1c03b2fff342d9ddb9b6b (diff) | |
source uris for core and coating
Diffstat (limited to 'test/feature.rb')
| -rw-r--r-- | test/feature.rb | 4 |
1 files changed, 2 insertions, 2 deletions
diff --git a/test/feature.rb b/test/feature.rb index 533ac0f..40edb9f 100644 --- a/test/feature.rb +++ b/test/feature.rb @@ -55,7 +55,7 @@ class FeatureTest < MiniTest::Test end def test_physchem_description - assert_equal 355, PhysChem.descriptors.size + assert_equal 346, PhysChem.descriptors.size assert_equal 15, PhysChem.openbabel_descriptors.size assert_equal 295, PhysChem.cdk_descriptors.size assert_equal 45, PhysChem.joelib_descriptors.size @@ -63,7 +63,7 @@ class FeatureTest < MiniTest::Test end def test_physchem - assert_equal 355, PhysChem.descriptors.size + assert_equal 346, 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, logP.calculate(c) |