From 99c42f76b02f9084d0757eb0c52b4a55fa295a95 Mon Sep 17 00:00:00 2001 From: Christoph Helma Date: Fri, 11 Nov 2016 17:19:13 +0100 Subject: p-chem regression and enm import fixed --- test/model-validation.rb | 19 +++++++++++++++++++ 1 file changed, 19 insertions(+) create mode 100644 test/model-validation.rb (limited to 'test/model-validation.rb') diff --git a/test/model-validation.rb b/test/model-validation.rb new file mode 100644 index 0000000..83986d6 --- /dev/null +++ b/test/model-validation.rb @@ -0,0 +1,19 @@ +require_relative "setup.rb" + +class ValidationModelTest < MiniTest::Test + + def test_validation_model + m = Model::Validation.from_csv_file "#{DATA_DIR}/hamster_carcinogenicity.csv" + [:endpoint,:species,:source].each do |p| + refute_empty m[p] + end + assert m.classification? + refute m.regression? + m.crossvalidations.each do |cv| + assert cv.accuracy > 0.74, "Crossvalidation accuracy (#{cv.accuracy}) should be larger than 0.75. This may happen due to an unfavorable training/test set split." + end + prediction = m.predict Compound.from_smiles("CCCC(NN)C") + assert_equal "true", prediction[:value] + m.delete + end +end -- cgit v1.2.3