From d5bf97c2cb999539c56bf59aa1d7d3286745be84 Mon Sep 17 00:00:00 2001 From: Christoph Helma Date: Wed, 23 Sep 2015 14:51:41 +0200 Subject: validations fixed (all models were executed with default parameters) --- test/lazar-regression.rb | 10 ++++++++++ 1 file changed, 10 insertions(+) (limited to 'test/lazar-regression.rb') 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" -- cgit v1.2.3