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author | Christoph Helma <helma@in-silico.ch> | 2016-02-29 08:59:43 +0100 |
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committer | Christoph Helma <helma@in-silico.ch> | 2016-02-29 08:59:43 +0100 |
commit | 72f6cd966a249859e009a0db5f7b089aad1d6511 (patch) | |
tree | 8668abfd8e5cefdee9565b184b3ea63dd5e9491f /test | |
parent | d0c6234fed7d45227fcf9309cb6dc0854d17e647 (diff) |
regression crossvalidation fixed
Diffstat (limited to 'test')
-rw-r--r-- | test/lazar-regression.rb | 2 | ||||
-rw-r--r-- | test/validation.rb | 20 |
2 files changed, 4 insertions, 18 deletions
diff --git a/test/lazar-regression.rb b/test/lazar-regression.rb index 932b91c..ae8f725 100644 --- a/test/lazar-regression.rb +++ b/test/lazar-regression.rb @@ -42,7 +42,7 @@ class LazarRegressionTest < MiniTest::Test prediction = model.predict compound model.update(:prediction_algorithm => "OpenTox::Algorithm::Regression.local_pls_regression") prediction = model.predict compound - p prediction + # TODO assertions #assert_equal 13.6, prediction[:value].round(1) #assert_equal 0.83, prediction[:confidence].round(2) #assert_equal 1, prediction[:neighbors].size diff --git a/test/validation.rb b/test/validation.rb index b1dc95e..d8aae87 100644 --- a/test/validation.rb +++ b/test/validation.rb @@ -115,28 +115,14 @@ class ValidationTest < MiniTest::Test end def test_physchem_regression_crossvalidation - skip - - @descriptors = OpenTox::Algorithm::Descriptor::OBDESCRIPTORS.keys - refute_empty @descriptors # UPLOAD DATA training_dataset = OpenTox::Dataset.from_csv_file File.join(DATA_DIR,"EPAFHM.medi.csv") - feature_dataset = Algorithm::Descriptor.physchem training_dataset, @descriptors - feature_dataset.save - scaled_feature_dataset = feature_dataset.scale - scaled_feature_dataset.save - model = Model::LazarRegression.create training_dataset - model.neighbor_algorithm = "physchem_neighbors" - model.neighbor_algorithm_parameters = { - :feature_calculation_algorithm => "OpenTox::Algorithm::Descriptor.physchem", - :descriptors => @descriptors, - :feature_dataset_id => scaled_feature_dataset.id, - :min_sim => 0.3 - } - model.save + model = Model::LazarRegression.create(training_dataset, :prediction_algorithm => "OpenTox::Algorithm::Regression.local_physchem_regression") cv = RegressionCrossValidation.create model p cv + p cv.id + p cv.statistics end def test_classification_loo_validation |