diff options
Diffstat (limited to 'test/model-nanoparticle.rb')
-rw-r--r-- | test/model-nanoparticle.rb | 30 |
1 files changed, 30 insertions, 0 deletions
diff --git a/test/model-nanoparticle.rb b/test/model-nanoparticle.rb index 88032bc..c5f3223 100644 --- a/test/model-nanoparticle.rb +++ b/test/model-nanoparticle.rb @@ -61,6 +61,36 @@ class NanoparticleModelTest < MiniTest::Test model.delete end + def test_nanoparticle_fingerprint_model_with_feature_selection + assert true, @prediction_feature.measured + algorithms = { + :descriptors => { + :method => "fingerprint", + :type => "MP2D", + }, + :similarity => { + :method => "Algorithm::Similarity.tanimoto", + :min => 0.1 + }, + } + model = Model::Lazar.create training_dataset: @training_dataset, prediction_feature: @prediction_feature, algorithms: algorithms + refute_empty model.algorithms[:feature_selection] + refute_empty model.dependent_variables + refute_empty model.descriptor_ids + refute_empty model.independent_variables + assert_equal "Algorithm::Caret.rf", model.algorithms[:prediction][:method] + assert_equal "Algorithm::Similarity.tanimoto", model.algorithms[:similarity][:method] + nanoparticle = @training_dataset.nanoparticles[-34] + assert_includes nanoparticle.dataset_ids, @training_dataset.id + prediction = model.predict nanoparticle + refute_nil prediction[:value] + assert_includes prediction[:prediction_interval][0]..prediction[:prediction_interval][1], prediction[:measurements].median, "This assertion assures that measured values are within the prediction interval. It may fail in 5% of the predictions." + prediction = model.predict @training_dataset.substances[14] + refute_nil prediction[:value] + assert_includes prediction[:prediction_interval][0]..prediction[:prediction_interval][1], prediction[:measurements].median, "This assertion assures that measured values are within the prediction interval. It may fail in 5% of the predictions." + model.delete + end + def test_nanoparticle_calculated_properties_model skip "Nanoparticle calculate_properties similarity not yet implemented" assert true, @prediction_feature.measured |