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author | helma@in-silico.ch <helma@in-silico.ch> | 2018-10-12 21:58:36 +0200 |
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committer | helma@in-silico.ch <helma@in-silico.ch> | 2018-10-12 21:58:36 +0200 |
commit | 9d17895ab9e8cd31e0f32e8e622e13612ea5ff77 (patch) | |
tree | d6984f0bd81679228d0dfd903aad09c7005f1c4c /test/nanomaterial-model-validation.rb | |
parent | de763211bd2b6451e3a8dc20eb95a3ecf72bef17 (diff) |
validation statistic fixes
Diffstat (limited to 'test/nanomaterial-model-validation.rb')
-rw-r--r-- | test/nanomaterial-model-validation.rb | 54 |
1 files changed, 0 insertions, 54 deletions
diff --git a/test/nanomaterial-model-validation.rb b/test/nanomaterial-model-validation.rb deleted file mode 100644 index 9eaa17d..0000000 --- a/test/nanomaterial-model-validation.rb +++ /dev/null @@ -1,54 +0,0 @@ -require_relative "setup.rb" - -class NanomaterialValidationModelTest < MiniTest::Test - - def setup - @training_dataset = Dataset.where(:name => "Protein Corona Fingerprinting Predicts the Cellular Interaction of Gold and Silver Nanoparticles").first - @prediction_feature = @training_dataset.features.select{|f| f["name"] == 'log2(Net cell association)'}.first - end - - def test_default_nanomaterial_validation_model - validation_model = Model::Validation.from_enanomapper - [:endpoint,:species,:source].each do |p| - refute_empty validation_model[p] - end - assert validation_model.regression? - refute validation_model.classification? - validation_model.crossvalidations.each do |cv| - refute_nil cv.r_squared - refute_nil cv.rmse - end - nanoparticle = @training_dataset.nanoparticles[-34] - assert_includes nanoparticle.dataset_ids, @training_dataset.id - prediction = validation_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." - validation_model.delete - end - - def test_nanomaterial_validation_model_parameters - algorithms = { - :descriptors => { - :method => "fingerprint", - :type => "MP2D", - }, - :similarity => { - :method => "Algorithm::Similarity.tanimoto", - :min => 0.1 - }, - :prediction => { :method => "OpenTox::Algorithm::Regression.weighted_average" }, - :feature_selection => nil - } - validation_model = Model::Validation.from_enanomapper algorithms: algorithms - assert validation_model.regression? - refute validation_model.classification? - validation_model.crossvalidations.each do |cv| - refute_nil cv.r_squared - refute_nil cv.rmse - end - nanoparticle = @training_dataset.nanoparticles[-34] - assert_includes nanoparticle.dataset_ids, @training_dataset.id - prediction = validation_model.predict nanoparticle - refute_nil prediction[:value] - end -end |