From 09452bba5c407c27721223d126e3f45c12b20a0c Mon Sep 17 00:00:00 2001
From: Christoph Helma <helma@in-silico.ch>
Date: Thu, 13 Oct 2016 22:59:45 +0200
Subject: tests pass

---
 test/validation-regression.rb | 57 +++++++++++++++++++++++++++++++++++++++++++
 1 file changed, 57 insertions(+)
 create mode 100644 test/validation-regression.rb

(limited to 'test/validation-regression.rb')

diff --git a/test/validation-regression.rb b/test/validation-regression.rb
new file mode 100644
index 0000000..efce849
--- /dev/null
+++ b/test/validation-regression.rb
@@ -0,0 +1,57 @@
+require_relative "setup.rb"
+
+class ValidationRegressionTest < MiniTest::Test
+  include OpenTox::Validation
+
+  # defaults
+  
+  def test_default_regression_crossvalidation
+    dataset = Dataset.from_csv_file "#{DATA_DIR}/EPAFHM.medi_log10.csv"
+    model = Model::Lazar.create training_dataset: dataset
+    cv = RegressionCrossValidation.create model
+    assert cv.rmse < 1.5, "RMSE #{cv.rmse} should be smaller than 1.5, this may occur due to an unfavorable training/test set split"
+    assert cv.mae < 1, "MAE #{cv.mae} should be smaller than 1, this may occur due to an unfavorable training/test set split"
+  end
+
+  # parameters
+  
+  def test_regression_crossvalidation_params
+    dataset = Dataset.from_csv_file "#{DATA_DIR}/EPAFHM.medi_log10.csv"
+    algorithms = {
+      :prediction => { :method => "OpenTox::Algorithm::Regression.weighted_average" },
+      :descriptors => { :type => "MACCS", },
+      :similarity => {:min => 0.7}
+    }
+    model = Model::Lazar.create training_dataset: dataset, algorithms: algorithms
+    assert_equal algorithms[:descriptors][:type], model.algorithms[:descriptors][:type]
+    cv = RegressionCrossValidation.create model
+    cv.validation_ids.each do |vid|
+      model = Model::Lazar.find(Validation.find(vid).model_id)
+      assert_equal algorithms[:descriptors][:type], model.algorithms[:descriptors][:type]
+      assert_equal algorithms[:similarity][:min], model.algorithms[:similarity][:min]
+      refute_nil model.training_dataset_id
+      refute_equal dataset.id, model.training_dataset_id
+    end
+
+    refute_nil cv.rmse
+    refute_nil cv.mae 
+  end
+
+  def test_physchem_regression_crossvalidation
+    training_dataset = OpenTox::Dataset.from_csv_file File.join(DATA_DIR,"EPAFHM.medi_log10.csv")
+    model = Model::Lazar.create training_dataset:training_dataset
+    cv = RegressionCrossValidation.create model
+    refute_nil cv.rmse
+    refute_nil cv.mae 
+  end
+
+  # LOO
+
+  def test_regression_loo_validation
+    dataset = OpenTox::Dataset.from_csv_file File.join(DATA_DIR,"EPAFHM.medi_log10.csv")
+    model = Model::Lazar.create training_dataset: dataset
+    loo = RegressionLeaveOneOut.create model
+    assert loo.r_squared > 0.34, "R^2 (#{loo.r_squared}) should be larger than 0.034"
+  end
+
+end
-- 
cgit v1.2.3