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| author | Christoph Helma <helma@in-silico.ch> | 2016-11-09 10:03:46 +0100 |
|---|---|---|
| committer | Christoph Helma <helma@in-silico.ch> | 2016-11-09 10:03:46 +0100 |
| commit | a90047977da5a635072f2833816726eaf721aa88 (patch) | |
| tree | 6aa5e5424f6847400efa1c8c2598983d8228dc80 /test | |
| parent | 7bd244b35d2e2059baf1fa535dca854999b5da75 (diff) | |
CDK 2.0
Diffstat (limited to 'test')
| -rw-r--r-- | test/descriptor.rb | 5 |
1 files changed, 3 insertions, 2 deletions
diff --git a/test/descriptor.rb b/test/descriptor.rb index 42d4661..6eb4316 100644 --- a/test/descriptor.rb +++ b/test/descriptor.rb @@ -4,10 +4,11 @@ class DescriptorTest < MiniTest::Test def test_list # check available descriptors - assert_equal 355,PhysChem.descriptors.size,"incorrect number of physchem descriptors" assert_equal 15,PhysChem.openbabel_descriptors.size,"incorrect number of Openbabel descriptors" - assert_equal 295,PhysChem.cdk_descriptors.size,"incorrect number of Cdk descriptors" assert_equal 45,PhysChem.joelib_descriptors.size,"incorrect number of Joelib descriptors" + p PhysChem.cdk_descriptors + assert_equal 286,PhysChem.cdk_descriptors.size,"incorrect number of Cdk descriptors" + assert_equal 346,PhysChem.descriptors.size,"incorrect number of physchem descriptors" end def test_smarts |