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author | Christoph Helma <helma@in-silico.ch> | 2016-10-13 17:34:31 +0200 |
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committer | Christoph Helma <helma@in-silico.ch> | 2016-10-13 17:34:31 +0200 |
commit | ad7ec6a1e33f69557fe64371581d5f42a65ecaa8 (patch) | |
tree | 7bb819b950790d34fb4bc9746f67b71298f2d31c /test/model.rb | |
parent | 9e99495ecbff147218023c136bade9e56a502fed (diff) |
classification fixed
Diffstat (limited to 'test/model.rb')
-rw-r--r-- | test/model.rb | 7 |
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 |