diff options
Diffstat (limited to 'test/lazar-regression.rb')
-rw-r--r-- | test/lazar-regression.rb | 10 |
1 files changed, 10 insertions, 0 deletions
diff --git a/test/lazar-regression.rb b/test/lazar-regression.rb index cc7f356..8b2d473 100644 --- a/test/lazar-regression.rb +++ b/test/lazar-regression.rb @@ -13,6 +13,16 @@ class LazarRegressionTest < MiniTest::Test assert_equal 1, 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" + compound = Compound.from_smiles "CCCSCCSCC" + prediction = model.predict compound + assert_equal 0.04, prediction[:value].round(2) + assert_equal 1, prediction[:neighbors].size + end + def test_local_linear_regression skip training_dataset = Dataset.from_csv_file "#{DATA_DIR}/EPAFHM.medi.csv" |