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+require_relative "setup.rb"
+
+class LazarClassificationTest < MiniTest::Test
+
+ def test_lazar_classification
+ training_dataset = Dataset.from_csv_file File.join(DATA_DIR,"hamster_carcinogenicity.csv")
+ model = Model::LazarClassification.create training_dataset
+
+ [ {
+ :compound => OpenTox::Compound.from_inchi("InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H"),
+ :prediction => "false",
+ :confidence => 0.25281385281385277,
+ :nr_neighbors => 11
+ },{
+ :compound => OpenTox::Compound.from_smiles("c1ccccc1NN"),
+ :prediction => "false",
+ :confidence => 0.3639589577089577,
+ :nr_neighbors => 14
+ } ].each do |example|
+ prediction = model.predict example[:compound]
+ assert_equal example[:prediction], prediction[:value]
+ #assert_equal example[:confidence], prediction[:confidence]
+ #assert_equal example[:nr_neighbors], prediction[:neighbors].size
+ end
+
+ compound = Compound.from_smiles "CCO"
+ prediction = model.predict compound
+ assert_equal ["false"], prediction[:database_activities]
+ assert_equal "true", prediction[:value]
+
+ # make a dataset prediction
+ compound_dataset = OpenTox::Dataset.from_csv_file File.join(DATA_DIR,"EPAFHM.mini.csv")
+ prediction = model.predict compound_dataset
+ assert_equal compound_dataset.compounds, prediction.compounds
+
+ assert_equal "Could not find similar compounds with experimental data in the training dataset.", prediction.data_entries[7][3]
+ assert_equal "1 compounds have been removed from neighbors, because they have the same structure as the query compound.", prediction.data_entries[14][3]
+ # cleanup
+ [training_dataset,model,compound_dataset].each{|o| o.delete}
+ end
+end