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-rw-r--r--test/lazar-fminer.rb50
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diff --git a/test/lazar-fminer.rb b/test/lazar-fminer.rb
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--- a/test/lazar-fminer.rb
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-require_relative "setup.rb"
-
-class LazarFminerTest < MiniTest::Test
-
- def test_lazar_fminer
- training_dataset = Dataset.from_csv_file File.join(DATA_DIR,"hamster_carcinogenicity.csv")
- model = Model::LazarFminerClassification.create training_dataset#, feature_dataset
- feature_dataset = Dataset.find model.neighbor_algorithm_parameters[:feature_dataset_id]
- assert_equal training_dataset.compounds.size, feature_dataset.compounds.size
- #TODO check fminer features, see fminer.rb
- #assert_equal 54, feature_dataset.features.size
- feature_dataset.data_entries.each do |e|
- assert_equal e.size, feature_dataset.features.size
- end
- #assert_equal 'C-C-C=C', feature_dataset.features.first.smarts
-
- [ {
- :compound => OpenTox::Compound.from_inchi("InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H"),
- :prediction => "false",
- :confidence => 0.25281385281385277,
- :nr_neighbors => 11
- },{
- :compound => OpenTox::Compound.from_smiles("c1ccccc1NN"),
- :prediction => "false",
- :confidence => 0.3639589577089577,
- :nr_neighbors => 14
- }, {
- :compound => Compound.from_smiles('OCCCCCCCC\C=C/CCCCCCCC'),
- :prediction => "false",
- :confidence => 0.5555555555555556,
- :nr_neighbors => 1
- }].each do |example|
- prediction = model.predict example[:compound]
-
- assert_equal example[:prediction], prediction[:value]
- #assert_equal example[:confidence], prediction[:confidence]
- #assert_equal example[:nr_neighbors], prediction[:neighbors].size
- end
-
- # make a dataset prediction
- compound_dataset = OpenTox::Dataset.from_csv_file File.join(DATA_DIR,"EPAFHM.mini.csv")
- prediction = model.predict compound_dataset
- assert_equal compound_dataset.compounds, prediction.compounds
-
- assert_equal "Cound not find similar compounds.", prediction.data_entries[7][2]
- assert_equal "measured", prediction.data_entries[14][1]
- # cleanup
- [training_dataset,model,feature_dataset,compound_dataset].each{|o| o.delete}
- end
-end