merged development

1 files changed, 0 insertions, 43 deletions

diff --git a/test/regression.rb b/test/regression.rb
deleted file mode 100644
index ad460b5..0000000
--- a/test/regression.rb
+++ /dev/null
@@ -1,43 +0,0 @@
-require_relative "setup.rb"
-
-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"}
-    compound = Compound.from_smiles "CC(C)(C)CN"
-    prediction = model.predict compound
-    assert_equal 7.2, prediction[:value].round(1)
-    assert_equal 88, 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] = "MP2D"
-    compound = Compound.from_smiles "CCCSCCSCC"
-    prediction = model.predict compound
-    assert_equal 0.04, prediction[:value].round(2)
-    assert_equal 3, prediction[:neighbors].size
-  end
-
-  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")
-    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]
-  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
-    refute_nil prediction[:value]
-  end
-
-end