From 9a06f2ff5ae6bdbe7dc90555599e186f1585e0d2 Mon Sep 17 00:00:00 2001 From: Christoph Helma Date: Thu, 10 Nov 2016 15:27:26 +0100 Subject: Model::NanoPrediction parameters --- test/validation-nanoparticle.rb | 19 +++++++++++++++++++ 1 file changed, 19 insertions(+) (limited to 'test/validation-nanoparticle.rb') 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 -- cgit v1.2.3