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author | Christoph Helma <helma@in-silico.ch> | 2016-03-15 17:40:40 +0100 |
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committer | Christoph Helma <helma@in-silico.ch> | 2016-03-15 17:40:40 +0100 |
commit | 7c3bd90c26dfeea2db3cf74a1cefc23d8dece7c0 (patch) | |
tree | 045d18b43e30ef3bf9a548230e45986b591535a6 /test/descriptor-long.rb | |
parent | 0c5d2e678908a2d4aea43efbedbedc2c0439be30 (diff) |
validation tests pass
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 |