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authorChristoph Helma <helma@in-silico.ch>2015-09-23 14:51:41 +0200
committerChristoph Helma <helma@in-silico.ch>2015-09-23 14:51:41 +0200
commitd5bf97c2cb999539c56bf59aa1d7d3286745be84 (patch)
tree91d5ab3fd9641c7349d45356d43aef867e4bee92 /test/lazar-regression.rb
parent259cd085e053193b4c166495ae1af35cfa94bcf6 (diff)
validations fixed (all models were executed with default parameters)
Diffstat (limited to 'test/lazar-regression.rb')
-rw-r--r--test/lazar-regression.rb10
1 files changed, 10 insertions, 0 deletions
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"