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author | Christoph Helma <helma@in-silico.ch> | 2016-05-07 10:34:03 +0200 |
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committer | Christoph Helma <helma@in-silico.ch> | 2016-05-07 10:34:03 +0200 |
commit | 48234554ea99b972a01718ac36c4e8332dd9159b (patch) | |
tree | 6f9d61a7b1c767a952063f69ed11449361395a05 /test/lazar-physchem-short.rb | |
parent | 51f57e2858b60bed74ebcc97189b2188c900c283 (diff) |
-log10 for regression datasets, test cleanups
Diffstat (limited to 'test/lazar-physchem-short.rb')
-rw-r--r-- | test/lazar-physchem-short.rb | 31 |
1 files changed, 0 insertions, 31 deletions
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 |