diff options
Diffstat (limited to 'lazar.rb')
| -rw-r--r-- | lazar.rb | 19 |
1 files changed, 10 insertions, 9 deletions
@@ -27,6 +27,7 @@ class LazarTest < Test::Unit::TestCase def create_model(params) params[:subjectid] = @@subjectid + params[:min_frequency] = "8" model_uri = OpenTox::Algorithm::Lazar.new.run(params).to_s @model = OpenTox::Model::Lazar.find model_uri, @@subjectid dump @model, File.join(@dump_dir,caller[0][/`.*'/][1..-2],"model")+".yaml" @@ -63,18 +64,18 @@ class LazarTest < Test::Unit::TestCase ## Regression def test_create_regression_svm_pc_model - create_model :dataset_uri => @@regression_training_dataset.uri, :feature_dataset_uri => @@regression_feature_dataset.uri, :pc_type => "constitutional" + create_model :dataset_uri => @@regression_training_dataset.uri, :feature_dataset_uri => @@regression_feature_dataset.uri, :pc_type => "constitutional", :lib => "cdk", :subjectid => @@subjectid predict_compound OpenTox::Compound.from_smiles("c1ccccc1NN") - assert_in_delta @predictions.first.value(@compounds.first), 7.6, 0.3 - assert_equal 0.603, @predictions.first.confidence(@compounds.first).round_to(3) - assert_equal 74, @predictions.first.neighbors(@compounds.first).size + assert_in_delta @predictions.first.value(@compounds.first), 17.13, 0.3 + assert_equal 0.531, @predictions.first.confidence(@compounds.first).round_to(3) + assert_equal 91, @predictions.first.neighbors(@compounds.first).size cleanup end ##Classification def test_classification_model - create_model :dataset_uri => @@classification_training_dataset.uri + create_model :dataset_uri => @@classification_training_dataset.uri, :subjectid => @@subjectid # single prediction predict_compound OpenTox::Compound.from_smiles("c1ccccc1NN") # dataset activity @@ -84,8 +85,8 @@ def test_classification_model # assertions # single prediction assert_equal "false", @predictions[0].value(@compounds[0]) - assert_equal 0.3383.round_to(4), @predictions[0].confidence(@compounds[0]).round_to(4) - assert_equal 16, @predictions[0].neighbors(@compounds[0]).size + assert_equal 0.3443.round_to(4), @predictions[0].confidence(@compounds[0]).round_to(4) + assert_equal 18, @predictions[0].neighbors(@compounds[0]).size # dataset activity assert !@predictions[1].measured_activities(@compounds[1]).empty? assert_equal "true", @predictions[1].measured_activities(@compounds[1]).first.to_s @@ -96,9 +97,9 @@ def test_classification_model assert_equal "true", @predictions[2].measured_activities(c).first.to_s c = OpenTox::Compound.from_smiles("c1ccccc1NN") assert_equal "false", @predictions[2].value(c) - assert_equal 0.3383 , @predictions[2].confidence(c).round_to(4) + assert_equal 0.3443 , @predictions[2].confidence(c).round_to(4) # model - assert_equal 41, @model.features.size + assert_equal 25, @model.features.size cleanup end |