summaryrefslogtreecommitdiff
path: root/test/lazar-regression.rb
diff options
context:
space:
mode:
Diffstat (limited to 'test/lazar-regression.rb')
-rw-r--r--test/lazar-regression.rb37
1 files changed, 0 insertions, 37 deletions
diff --git a/test/lazar-regression.rb b/test/lazar-regression.rb
deleted file mode 100644
index 4f5a332..0000000
--- a/test/lazar-regression.rb
+++ /dev/null
@@ -1,37 +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}}
- compound = Compound.from_smiles "CC(C)(C)CN"
- prediction = model.predict compound
- assert_equal 7.2, prediction[:value].round(1)
- assert_equal 91, 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 0.02, prediction[:value].round(2)
- assert_equal 3, prediction[:neighbors].size
- end
-
- def test_local_linear_regression
- skip
- training_dataset = Dataset.from_csv_file "#{DATA_DIR}/EPAFHM.medi.csv"
- model = Model::LazarRegression.create training_dataset
- model.update(:prediction_algorithm => "OpenTox::Algorithm::Regression.local_linear_regression")
- compound = Compound.from_smiles "NC(=O)OCCC"
- prediction = model.predict compound
- p prediction
- #assert_equal 13.6, prediction[:value].round(1)
- #assert_equal 0.83, prediction[:confidence].round(2)
- #assert_equal 1, prediction[:neighbors].size
- end
-
-end