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-rw-r--r--test/descriptor.rb1
-rw-r--r--test/lazar-regression.rb15
2 files changed, 15 insertions, 1 deletions
diff --git a/test/descriptor.rb b/test/descriptor.rb
index 58149a7..28be79e 100644
--- a/test/descriptor.rb
+++ b/test/descriptor.rb
@@ -62,6 +62,7 @@ class DescriptorTest < MiniTest::Test
assert_equal 330, result.size
assert_equal 30.8723, result[2]
assert_equal 5, result[328]
+ p result
end
def test_compound_descriptor_parameters
diff --git a/test/lazar-regression.rb b/test/lazar-regression.rb
index 9ade6d5..932b91c 100644
--- a/test/lazar-regression.rb
+++ b/test/lazar-regression.rb
@@ -4,7 +4,7 @@ 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}}
+ model = Model::LazarRegression.create training_dataset, {:neighbor_algorithm_parameters => {:min_sim => 0}, :prediction_algorithm => "OpenTox::Algorithm::Regression.weighted_average"}
compound = Compound.from_smiles "CC(C)(C)CN"
prediction = model.predict compound
assert_equal 7.2, prediction[:value].round(1)
@@ -35,4 +35,17 @@ class LazarRegressionTest < MiniTest::Test
#assert_equal 1, prediction[:neighbors].size
end
+ def test_local_physchem_regression
+ training_dataset = Dataset.from_csv_file "#{DATA_DIR}/EPAFHM.medi.csv"
+ model = Model::LazarRegression.create(training_dataset, :prediction_algorithm => "OpenTox::Algorithm::Regression.local_physchem_regression")
+ compound = Compound.from_smiles "NC(=O)OCCC"
+ prediction = model.predict compound
+ model.update(:prediction_algorithm => "OpenTox::Algorithm::Regression.local_pls_regression")
+ 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