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author | davor <vorgrimmlerdavid@gmx.de> | 2012-01-04 15:57:02 +0100 |
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committer | davor <vorgrimmlerdavid@gmx.de> | 2012-01-04 15:57:02 +0100 |
commit | 23dcfd67b4c5970a25b9963031ed80c9ea515995 (patch) | |
tree | c004081167fda1983e17a9d9a70a4655876ebef9 | |
parent | 5ab8e5c1cac69b3ae0591ba32a17da72202df9b8 (diff) |
Enabled pcr test
-rw-r--r-- | lazar.rb | 26 |
1 files changed, 8 insertions, 18 deletions
@@ -189,24 +189,14 @@ class LazarTest < Test::Unit::TestCase cleanup end - -# def test_regression_mlr_prop_model -# create_model :dataset_uri => @@regression_training_dataset.uri, :prediction_algorithm => "local_mlr_prop" -# predict_compound OpenTox::Compound.from_smiles("c1ccccc1NN") -# assert_equal 0.610, @predictions.first.confidence(@compounds.first).round_to(3) -# assert_equal 0.615, @predictions.first.value(@compounds.first).round_to(3) -# assert_equal 253, @predictions.first.neighbors(@compounds.first).size -# assert_equal 131, @model.features.size -# end - -# def test_regression_mlr_prop_conf_stdev -# create_model :dataset_uri => @@regression_training_dataset.uri, :prediction_algorithm => "local_mlr_prop", :conf_stdev => "true" -# predict_compound OpenTox::Compound.from_smiles("c1ccccc1NN") -# assert_equal 0.154, @predictions.first.confidence(@compounds.first).round_to(3) -# assert_equal 0.265, @predictions.first.value(@compounds.first).round_to(3) -# assert_equal 253, @predictions.first.neighbors(@compounds.first).size -# assert_equal 131, @model.features.size -# end + def test_create_regression_pc_mlr_prop_model + create_model :dataset_uri => @@regression_training_dataset.uri, :feature_dataset_uri => @@regression_feature_dataset.uri, :pc_type => "constitutional", :prediction_algorithm => "local_mlr_prop" + predict_compound OpenTox::Compound.from_smiles("c1ccccc1NN") + assert_in_delta @predictions.first.value(@compounds.first), 1.05, 0.2 + assert_equal 0.557, @predictions.first.confidence(@compounds.first).round_to(3) + assert_equal 157, @predictions.first.neighbors(@compounds.first).size + cleanup + end # def test_conf_stdev # params = {:sims => [0.6,0.72,0.8], :acts => [1,1,1], :neighbors => [1,1,1], :conf_stdev => true} |