diff options
Diffstat (limited to 'test/validation-nanoparticle.rb')
-rw-r--r-- | test/validation-nanoparticle.rb | 19 |
1 files changed, 19 insertions, 0 deletions
diff --git a/test/validation-nanoparticle.rb b/test/validation-nanoparticle.rb index 7391f21..5ed70f2 100644 --- a/test/validation-nanoparticle.rb +++ b/test/validation-nanoparticle.rb @@ -113,4 +113,23 @@ class NanoparticleValidationTest < MiniTest::Test refute_nil cv.rmse end + def test_nanoparticle_fingerprint_model_with_feature_selection + algorithms = { + :descriptors => { + :method => "fingerprint", + :type => "MP2D", + }, + :similarity => { + :method => "Algorithm::Similarity.tanimoto", + :min => 0.1 + }, + } + model = Model::Lazar.create prediction_feature: @prediction_feature, training_dataset: @training_dataset, algorithms: algorithms + cv = CrossValidation.create model + p cv.rmse + p cv.r_squared + refute_nil cv.r_squared + refute_nil cv.rmse + end + end |