1 files changed, 26 insertions, 0 deletions
diff --git a/test/descriptor-long.rb b/test/descriptor-long.rb
new file mode 100644
index 0000000..7a4c00f
--- /dev/null
+++ b/test/descriptor-long.rb
@@ -0,0 +1,26 @@
+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