diff options
Diffstat (limited to 'test/descriptor-long.rb')
| -rw-r--r-- | test/descriptor-long.rb | 13 |
1 files changed, 13 insertions, 0 deletions
diff --git a/test/descriptor-long.rb b/test/descriptor-long.rb index 2752d5a..7a4c00f 100644 --- a/test/descriptor-long.rb +++ b/test/descriptor-long.rb @@ -2,6 +2,8 @@ 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 @@ -10,4 +12,15 @@ class DescriptorLongTest < MiniTest::Test 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 |