diff options
Diffstat (limited to 'test/regression-model.rb')
| -rw-r--r-- | test/regression-model.rb | 17 |
1 files changed, 15 insertions, 2 deletions
diff --git a/test/regression-model.rb b/test/regression-model.rb index 7f667dc..3b41171 100644 --- a/test/regression-model.rb +++ b/test/regression-model.rb @@ -173,13 +173,26 @@ class LazarRegressionTest < MiniTest::Test model = Model::Lazar.create training_dataset: training_dataset result = model.predict training_dataset assert_kind_of Dataset, result - assert_equal 6, result.features.size + assert_equal 8, result.features.size assert_equal 88, result.compounds.size assert_equal [1.95], result.values(result.compounds.first, result.bioactivity_features[0]).collect{|v| v.round(2)} assert_equal [1.37], result.values(result.compounds[6], result.bioactivity_features[0]).collect{|v| v.round(2)} - assert_equal [1.79], result.values(result.compounds[6], result.prediction_features[0]).collect{|v| v.round(2)} + assert_equal [1.79], result.values(result.compounds[6], result.prediction_feature).collect{|v| v.round(2)} assert_equal [1.84,1.73], result.values(result.compounds[7], result.bioactivity_features[0]).collect{|v| v.round(2)} assert_match /Low/i, result.predictions[result.compounds[6]][:confidence] + csv = result.to_prediction_csv + rows = csv.split("\n") + assert_equal "ID,Original SMILES,Canonical SMILES,Prediction,Confidence,Lower prediction interval,Upper prediction interval,Measurements", rows[0] + items = rows[3].split(",") + # prediction and measurement within prediciton interval + prediction = items[3].to_f + pi_low = items[5].to_f + pi_hi = items[6].to_f + measurement = items[7].to_f + [prediction,measurement].each do |v| + assert(v > pi_low) + assert(v < pi_hi) + end end end |