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authorChristoph Helma <helma@in-silico.ch>2015-10-08 10:43:43 +0200
committerChristoph Helma <helma@in-silico.ch>2015-10-08 10:43:43 +0200
commit1a56148aadef031c4f487bc23fda43f4ac5b7369 (patch)
tree3555c5883ed0c292b105c40c185ebba3e5bd4e3e /test/prediction_models.rb
parent394d564699756288569169ff3e198d6d7702f092 (diff)
parente3217075b602a950a0ee995fcfa731d97b5ba3eb (diff)
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+require_relative "setup.rb"
+
+class PredictionModelTest < MiniTest::Test
+
+ def test_prediction_model
+ pm = Model::Prediction.from_csv_file "#{DATA_DIR}/hamster_carcinogenicity.csv"
+ #dataset = Dataset.from_csv_file "#{DATA_DIR}/hamster_carcinogenicity.csv"
+ #model = Model::LazarFminerClassification.create dataset
+ #cv = ClassificationCrossValidation.create model
+ #metadata = JSON.parse(File.read("#{DATA_DIR}/hamster_carcinogenicity.json"))
+
+ #metadata[:model_id] = model.id
+ #metadata[:crossvalidation_id] = cv.id
+ #pm = Model::Prediction.new(metadata)
+ #pm.save
+ [:endpoint,:species,:source].each do |p|
+ refute_empty pm[p]
+ end
+ assert pm.classification?
+ refute pm.regression?
+ pm.crossvalidations.each do |cv|
+ assert cv.accuracy > 0.75
+ end
+ prediction = pm.predict Compound.from_smiles("CCCC(NN)C")
+ assert_equal "true", prediction[:value]
+ pm.delete
+ end
+end