1 files changed, 37 insertions, 0 deletions
diff --git a/test/lazar-regression.rb b/test/lazar-regression.rb
new file mode 100644
index 0000000..4f5a332
--- /dev/null
+++ b/test/lazar-regression.rb
@@ -0,0 +1,37 @@
+require_relative "setup.rb"
+
+class LazarRegressionTest < MiniTest::Test
+
+  def test_weighted_average
+    training_dataset = Dataset.from_csv_file "#{DATA_DIR}/EPAFHM.medi.csv"
+    model = Model::LazarRegression.create training_dataset, {:neighbor_algorithm_parameters => {:min_sim => 0}}
+    compound = Compound.from_smiles "CC(C)(C)CN"
+    prediction = model.predict compound
+    assert_equal 7.2, prediction[:value].round(1)
+    assert_equal 91, prediction[:neighbors].size
+  end
+
+  def test_mpd_fingerprints
+    training_dataset = Dataset.from_csv_file "#{DATA_DIR}/EPAFHM.medi.csv"
+    model = Model::LazarRegression.create training_dataset
+    model.neighbor_algorithm_parameters[:type] = "MP2D"
+    compound = Compound.from_smiles "CCCSCCSCC"
+    prediction = model.predict compound
+    assert_equal 0.02, prediction[:value].round(2)
+    assert_equal 3, prediction[:neighbors].size
+  end
+
+  def test_local_linear_regression
+    skip
+    training_dataset = Dataset.from_csv_file "#{DATA_DIR}/EPAFHM.medi.csv"
+    model = Model::LazarRegression.create training_dataset
+    model.update(:prediction_algorithm => "OpenTox::Algorithm::Regression.local_linear_regression")
+    compound = Compound.from_smiles "NC(=O)OCCC"
+    prediction = model.predict compound
+    p prediction
+    #assert_equal 13.6, prediction[:value].round(1)
+    #assert_equal 0.83, prediction[:confidence].round(2)
+    #assert_equal 1, prediction[:neighbors].size
+  end
+
+end