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-rw-r--r--test/model.rb7
1 files changed, 5 insertions, 2 deletions
diff --git a/test/model.rb b/test/model.rb
index 322ad90..027efe4 100644
--- a/test/model.rb
+++ b/test/model.rb
@@ -49,7 +49,10 @@ class ModelTest < MiniTest::Test
def test_physchem_regression
algorithms = {
- :descriptors => [PhysChem::OPENBABEL],
+ :descriptors => {
+ :method => "calculate_properties",
+ :features => PhysChem.openbabel_descriptors,
+ },
:similarity => {
:method => "Algorithm::Similarity.cosine",
}
@@ -60,9 +63,9 @@ class ModelTest < MiniTest::Test
assert_equal "Algorithm::Caret.pls", model.algorithms[:prediction][:method]
assert_equal "Algorithm::Similarity.cosine", model.algorithms[:similarity][:method]
assert_equal 0.1, model.algorithms[:similarity][:min]
+ algorithms[:descriptors].delete :features
assert_equal algorithms[:descriptors], model.algorithms[:descriptors]
prediction = model.predict training_dataset.substances[10]
- p prediction
refute_nil prediction[:value]
# TODO test predictin
end