diff options
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 |