require_relative "setup.rb" class LazarFminerTest < MiniTest::Test def test_lazar_fminer dataset = OpenTox::Dataset.new dataset.upload File.join(DATA_DIR,"hamster_carcinogenicity.csv") model = OpenTox::Model::Lazar.create OpenTox::Algorithm::Fminer.bbrc(:dataset => dataset) feature_dataset = OpenTox::Dataset.find model.feature_dataset_id assert_equal dataset.compounds.size, feature_dataset.compounds.size 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 '[#6&A]-[#6&A]-[#6&A]=[#6&A]', feature_dataset.features.first.title [ { :compound => OpenTox::Compound.from_inchi("InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H"), :prediction => "false", :confidence => 0.25281385281385277 },{ :compound => OpenTox::Compound.from_smiles("c1ccccc1NN"), :prediction => "false", :confidence => 0.3639589577089577 } ].each do |example| prediction = model.predict :compound => example[:compound] p prediction p prediction.features p prediction.compounds prediction = prediction_dataset.predictions.select{|p| p[:compound].uri == example[:compound].uri}.first assert_equal example[:prediction], prediction[:value] assert_equal example[:confidence], prediction[:confidence] prediction_dataset.delete end # make a dataset prediction compound_dataset = OpenTox::Dataset.new compound_dataset.upload File.join(DATA_DIR,"EPAFHM.mini.csv") assert_equal compound_dataset.uri.uri?, true prediction_uri = model.predict :dataset_uri => dataset.uri prediction = OpenTox::Dataset.new prediction_uri assert_equal prediction.uri.uri?, true # cleanup [dataset,model,feature_dataset,compound_dataset].each{|o| o.delete} end end