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author | Christoph Helma <helma@in-silico.ch> | 2016-05-09 15:51:50 +0200 |
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committer | Christoph Helma <helma@in-silico.ch> | 2016-05-09 15:51:50 +0200 |
commit | a18218bd1586edd8097729d242abb8947d6988df (patch) | |
tree | e94ac3bffb25751ed7e11a626ddde8b96f1de816 /test/descriptor-long.rb | |
parent | e2e7045c3efeb59dd650b78772009281e7fa56a0 (diff) | |
parent | 0b416e3b55a9256915a2427afe5bc112bcabc203 (diff) |
development branch mergedv0.9.3
Diffstat (limited to 'test/descriptor-long.rb')
-rw-r--r-- | test/descriptor-long.rb | 26 |
1 files changed, 0 insertions, 26 deletions
diff --git a/test/descriptor-long.rb b/test/descriptor-long.rb deleted file mode 100644 index 7a4c00f..0000000 --- a/test/descriptor-long.rb +++ /dev/null @@ -1,26 +0,0 @@ -require_relative "setup.rb" -class DescriptorLongTest < MiniTest::Test - - def test_dataset_all - # TODO: improve CDK descriptor calculation speed or add timeout - skip "CDK descriptor calculation takes too long for some compounds" - dataset = OpenTox::Dataset.from_csv_file File.join(DATA_DIR,"hamster_carcinogenicity.mini.csv") - d = OpenTox::Algorithm::Descriptor.physchem dataset - assert_equal dataset.compounds, d.compounds - assert_equal 332, d.features.size - assert_equal 332, d.data_entries.first.size - d.delete - end - - def test_dataset_openbabel - # TODO: improve CDK descriptor calculation speed or add timeout - dataset = Dataset.from_csv_file File.join(DATA_DIR,"hamster_carcinogenicity.mini.csv") - d = Algorithm::Descriptor.physchem dataset, Algorithm::Descriptor::OBDESCRIPTORS.keys - assert_equal dataset.compounds, d.compounds - size = Algorithm::Descriptor::OBDESCRIPTORS.keys.size - assert_equal size, d.features.size - assert_equal size, d.data_entries.first.size - d.delete - end - -end |