From 79238bddb59607aa9f759caa9e3c8db176709703 Mon Sep 17 00:00:00 2001 From: Christoph Helma Date: Thu, 28 Apr 2016 12:19:48 +0200 Subject: compound validations fixed --- test/regression.rb | 9 ++++----- 1 file changed, 4 insertions(+), 5 deletions(-) (limited to 'test/regression.rb') diff --git a/test/regression.rb b/test/regression.rb index ad460b5..6d461ed 100644 --- a/test/regression.rb +++ b/test/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}, :prediction_algorithm => "OpenTox::Algorithm::Regression.local_weighted_average"} + model = Model::LazarRegression.create training_dataset.features.first, training_dataset, {:neighbor_algorithm_parameters => {:min_sim => 0}, :prediction_algorithm => "OpenTox::Algorithm::Regression.local_weighted_average"} compound = Compound.from_smiles "CC(C)(C)CN" prediction = model.predict compound assert_equal 7.2, prediction[:value].round(1) @@ -13,7 +13,7 @@ class LazarRegressionTest < MiniTest::Test def test_mpd_fingerprints training_dataset = Dataset.from_csv_file "#{DATA_DIR}/EPAFHM.medi.csv" - model = Model::LazarRegression.create training_dataset + model = Model::LazarRegression.create training_dataset.features.first, training_dataset model.neighbor_algorithm_parameters[:type] = "MP2D" compound = Compound.from_smiles "CCCSCCSCC" prediction = model.predict compound @@ -23,10 +23,9 @@ class LazarRegressionTest < MiniTest::Test def test_local_fingerprint_regression training_dataset = Dataset.from_csv_file "#{DATA_DIR}/EPAFHM.medi.csv" - model = Model::LazarRegression.create(training_dataset, :prediction_algorithm => "OpenTox::Algorithm::Regression.local_fingerprint_regression") + model = Model::LazarRegression.create(training_dataset.features.first, training_dataset, :prediction_algorithm => "OpenTox::Algorithm::Regression.local_fingerprint_regression") compound = Compound.from_smiles "NC(=O)OCCC" prediction = model.predict compound - p prediction refute_nil prediction[:value] refute_nil prediction[:prediction_interval] refute_empty prediction[:neighbors] @@ -34,7 +33,7 @@ class LazarRegressionTest < MiniTest::Test 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") + model = Model::LazarRegression.create(training_dataset.features.first, training_dataset, :prediction_algorithm => "OpenTox::Algorithm::Regression.local_physchem_regression") compound = Compound.from_smiles "NC(=O)OCCC" prediction = model.predict compound refute_nil prediction[:value] -- cgit v1.2.3