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-rw-r--r--test/lazar-regression.rb14
1 files changed, 6 insertions, 8 deletions
diff --git a/test/lazar-regression.rb b/test/lazar-regression.rb
index 8b2d473..4f5a332 100644
--- a/test/lazar-regression.rb
+++ b/test/lazar-regression.rb
@@ -4,23 +4,21 @@ 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
+ model = Model::LazarRegression.create training_dataset, {:neighbor_algorithm_parameters => {:min_sim => 0}}
compound = Compound.from_smiles "CC(C)(C)CN"
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
+ 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] = "mpd"
+ model.neighbor_algorithm_parameters[:type] = "MP2D"
compound = Compound.from_smiles "CCCSCCSCC"
prediction = model.predict compound
- assert_equal 0.04, prediction[:value].round(2)
- assert_equal 1, prediction[:neighbors].size
+ assert_equal 0.02, prediction[:value].round(2)
+ assert_equal 3, prediction[:neighbors].size
end
def test_local_linear_regression