require_relative "setup.rb" class LazarRegressionTest < MiniTest::Test def test_weighted_average training_dataset = Dataset.from_csv_file "#{DATA_DIR}/EPAFHM.medi.csv" model = Model::LazarRegression.create training_dataset compound = Compound.from_smiles "CC(C)(C)CN" prediction = model.predict compound assert_equal 13.6, prediction[:value].round(1) assert_equal 0.83, prediction[:confidence].round(2) assert_equal 1, prediction[:neighbors].size end def test_weighted_average_with_relevant_fingerprints training_dataset = Dataset.from_csv_file "#{DATA_DIR}/EPAFHM.medi.csv" model = Model::LazarRegression.create training_dataset model.update(:prediction_algorithm => "OpenTox::Algorithm::Regression.weighted_average_with_relevant_fingerprints") compound = Compound.from_smiles "CC(C)(C)CN" prediction = model.predict compound p prediction #assert_equal 13.6, prediction[:value].round(1) #assert_equal 0.83, prediction[:confidence].round(2) #assert_equal 1, prediction[:neighbors].size end end