Merge remote-tracking branch 'origin/development'

1 files changed, 40 insertions, 0 deletions

diff --git a/test/use_cases.rb b/test/use_cases.rb
new file mode 100644
index 0000000..51c3fef
--- /dev/null
+++ b/test/use_cases.rb
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+require_relative "setup.rb"
+
+class UseCasesTest < MiniTest::Test
+
+  def test_PA
+    skip "This test ist very time consuming, enable on demand."
+    Download.mutagenicity
+    training_dataset = Dataset.from_csv_file File.join(Download::DATA,"Mutagenicity-Salmonella_typhimurium.csv")
+    assert_equal 8281, training_dataset.compounds.size
+    # TODO use Model::Validation.from_csv_file
+    model_validation = Model::Validation.from_csv_file File.join(Download::DATA,"Mutagenicity-Salmonella_typhimurium.csv")
+    pa = Dataset.from_sdf_file "#{DATA_DIR}/PA.sdf"
+    prediction_dataset = model_validation.predict pa
+    # TODO add assertions
+  end
+
+  def test_tox21
+    skip "This test ist very time consuming, enable on demand."
+    csv_file = Download.pubchem_classification aid: 743122, species: "Human HG2L7.5c1 cell line", endpoint: "aryl hydrocarbon receptor (AhR) signaling pathway activation"
+    model_validation = Model::Validation.from_csv_file csv_file
+    assert_equal 5, model_validation.crossvalidations.size
+  end
+
+  def test_download_public_models
+    skip "This test will overwrite public data." 
+    Download.public_data
+    assert_equal 11, Dir[File.join(File.dirname(__FILE__),"..","data","*csv")].size
+    assert_equal 11, Dir[File.join(File.dirname(__FILE__),"..","data","*json")].size
+    # TODO: check values
+  end
+
+  def test_import_public_models
+    skip "This test is very time consuming, enable on demand."
+    #$mongo.database.drop
+    #$gridfs = $mongo.database.fs # recreate GridFS indexes
+    validated_models = Import.public_data
+    assert_equal Dir[File.join(File.dirname(__FILE__),"..","data/*csv")].size, validated_models.size
+  end
+
+end