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authorChristoph Helma <helma@in-silico.ch>2016-03-15 17:40:40 +0100
committerChristoph Helma <helma@in-silico.ch>2016-03-15 17:40:40 +0100
commit7c3bd90c26dfeea2db3cf74a1cefc23d8dece7c0 (patch)
tree045d18b43e30ef3bf9a548230e45986b591535a6 /test/descriptor-long.rb
parent0c5d2e678908a2d4aea43efbedbedc2c0439be30 (diff)
validation tests pass
Diffstat (limited to 'test/descriptor-long.rb')
-rw-r--r--test/descriptor-long.rb26
1 files changed, 0 insertions, 26 deletions
diff --git a/test/descriptor-long.rb b/test/descriptor-long.rb
deleted file mode 100644
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--- a/test/descriptor-long.rb
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-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