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authorgebele <gebele@in-silico.ch>2017-03-31 15:08:14 +0000
committergebele <gebele@in-silico.ch>2017-03-31 15:08:14 +0000
commit6201c1f3814628499e168bd99fddc5b65eb32fb5 (patch)
treed67dbfbc0c53cc2cd4f8594c6471dcc17c416239
parentdb38c345fdc119edd8a892a5b0ba2c2a4b1cbe1f (diff)
adjusted classification tests for min sim 0.1
-rw-r--r--test/model-classification.rb8
-rw-r--r--test/validation-classification.rb2
2 files changed, 6 insertions, 4 deletions
diff --git a/test/model-classification.rb b/test/model-classification.rb
index 1424f6a..f75598b 100644
--- a/test/model-classification.rb
+++ b/test/model-classification.rb
@@ -46,12 +46,14 @@ class LazarClassificationTest < MiniTest::Test
assert_equal compound_dataset.compounds, prediction_dataset.compounds
cid = prediction_dataset.compounds[7].id.to_s
- assert_equal "Could not find similar substances with experimental data in the training dataset.", prediction_dataset.predictions[cid][:warning]
+ assert_equal "Could not find similar substances with experimental data in the training dataset.", prediction_dataset.predictions[cid][:warnings][0]
+ expectations = ["Cannot create prediction: Only one similar compound in the training set.",
+ "Could not find similar substances with experimental data in the training dataset."]
prediction_dataset.predictions.each do |cid,pred|
- assert_equal "Could not find similar substances with experimental data in the training dataset.", pred[:warning] if pred[:value].nil?
+ assert_includes expectations, pred[:warnings][0] if pred[:value].nil?
end
cid = Compound.from_smiles("CCOC(=O)N").id.to_s
- assert_match "excluded", prediction_dataset.predictions[cid][:warning]
+ assert_match "excluded", prediction_dataset.predictions[cid][:info]
# cleanup
[training_dataset,model,compound_dataset,prediction_dataset].each{|o| o.delete}
end
diff --git a/test/validation-classification.rb b/test/validation-classification.rb
index fb4c3e7..ce06063 100644
--- a/test/validation-classification.rb
+++ b/test/validation-classification.rb
@@ -47,7 +47,7 @@ class ValidationClassificationTest < MiniTest::Test
dataset = Dataset.from_csv_file "#{DATA_DIR}/hamster_carcinogenicity.csv"
model = Model::Lazar.create training_dataset: dataset
loo = ClassificationLeaveOneOut.create model
- assert_equal 14, loo.nr_unpredicted
+ assert_equal 24, loo.nr_unpredicted
refute_empty loo.confusion_matrix
assert loo.accuracy > 0.77
assert loo.weighted_accuracy > loo.accuracy, "Weighted accuracy (#{loo.weighted_accuracy}) should be larger than accuracy (#{loo.accuracy})."