From 398d8ca681db3aa0a0552eee026705e60dd8449d Mon Sep 17 00:00:00 2001 From: Christoph Helma Date: Thu, 20 Aug 2015 14:02:04 +0200 Subject: crossvalidation fixes --- test/lazar-regression.rb | 27 +++++++++++++++++++++++++++ 1 file changed, 27 insertions(+) create mode 100644 test/lazar-regression.rb (limited to 'test/lazar-regression.rb') diff --git a/test/lazar-regression.rb b/test/lazar-regression.rb new file mode 100644 index 0000000..c36f521 --- /dev/null +++ b/test/lazar-regression.rb @@ -0,0 +1,27 @@ +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 -- cgit v1.2.3