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author | Christoph Helma <helma@in-silico.ch> | 2016-10-13 10:11:09 +0200 |
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committer | Christoph Helma <helma@in-silico.ch> | 2016-10-13 10:11:09 +0200 |
commit | 8d325866dd7cacdd04bd2306a9144a5e7300c7c8 (patch) | |
tree | 5e730f20a26e58e41cdff9c22bd5647c886ca834 /test/model.rb | |
parent | 1810b12e7faf2f0677482a3c7a8c23e0e11b8d29 (diff) |
molecular_weight fixed
Diffstat (limited to 'test/model.rb')
-rw-r--r-- | test/model.rb | 44 |
1 files changed, 0 insertions, 44 deletions
diff --git a/test/model.rb b/test/model.rb index 9f30928..017ce10 100644 --- a/test/model.rb +++ b/test/model.rb @@ -100,48 +100,4 @@ class ModelTest < MiniTest::Test assert_equal algorithms[:feature_selection][:method], model.algorithms[:feature_selection][:method] end - def test_caret_parameters - skip - end - - def test_default_classification - algorithms = { - :descriptors => [ "MP2D" ], - :similarity => { - :method => "Algorithm::Similarity.tanimoto", - :min => 0.1 - }, - :prediction => { - :method => "Algorithm::Classification.weighted_majority_vote", - }, - :feature_selection => nil, - } - training_dataset = Dataset.from_csv_file File.join(DATA_DIR,"hamster_carcinogenicity.csv") - model = Model::Lazar.create training_dataset: training_dataset - assert_kind_of Model::LazarClassification, model - assert_equal algorithms, model.algorithms - substance = training_dataset.substances[10] - prediction = model.predict substance - assert_equal "false", prediction[:value] - end - - def test_classification_parameters - algorithms = { - :descriptors => ['MACCS'], - :similarity => { - :min => 0.4 - }, - } - training_dataset = Dataset.from_csv_file File.join(DATA_DIR,"hamster_carcinogenicity.csv") - model = Model::Lazar.create training_dataset: training_dataset, algorithms: algorithms - assert_kind_of Model::LazarClassification, model - assert_equal "Algorithm::Classification.weighted_majority_vote", model.algorithms[:prediction][:method] - assert_equal "Algorithm::Similarity.tanimoto", model.algorithms[:similarity][:method] - assert_equal algorithms[:similarity][:min], model.algorithms[:similarity][:min] - substance = training_dataset.substances[10] - prediction = model.predict substance - assert_equal "false", prediction[:value] - assert_equal 4, prediction[:neighbors].size - end - end |