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author | Christoph Helma <helma@in-silico.ch> | 2015-09-23 14:51:41 +0200 |
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committer | Christoph Helma <helma@in-silico.ch> | 2015-09-23 14:51:41 +0200 |
commit | d5bf97c2cb999539c56bf59aa1d7d3286745be84 (patch) | |
tree | 91d5ab3fd9641c7349d45356d43aef867e4bee92 /test/lazar-regression.rb | |
parent | 259cd085e053193b4c166495ae1af35cfa94bcf6 (diff) |
validations fixed (all models were executed with default parameters)
Diffstat (limited to 'test/lazar-regression.rb')
-rw-r--r-- | test/lazar-regression.rb | 10 |
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" |