From 48234554ea99b972a01718ac36c4e8332dd9159b Mon Sep 17 00:00:00 2001 From: Christoph Helma Date: Sat, 7 May 2016 10:34:03 +0200 Subject: -log10 for regression datasets, test cleanups --- test/lazar-physchem-short.rb | 31 ------------------------------- 1 file changed, 31 deletions(-) delete mode 100644 test/lazar-physchem-short.rb (limited to 'test/lazar-physchem-short.rb') diff --git a/test/lazar-physchem-short.rb b/test/lazar-physchem-short.rb deleted file mode 100644 index d6c2159..0000000 --- a/test/lazar-physchem-short.rb +++ /dev/null @@ -1,31 +0,0 @@ -require_relative "setup.rb" - -class LazarPhyschemDescriptorTest < MiniTest::Test - def test_epafhm - - 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 - scaled_feature_dataset = feature_dataset.scale - 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 - compound = Compound.from_smiles "CC(C)(C)CN" - prediction = model.predict compound - refute_nil prediction[:value] - refute_nil prediction[:confidence] - prediction[:neighbors].each do |line| - assert_operator line[1], :>, 0.3 - end - end -end -- cgit v1.2.3