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| author | Christoph Helma <helma@in-silico.ch> | 2016-04-28 11:05:05 +0200 |
|---|---|---|
| committer | Christoph Helma <helma@in-silico.ch> | 2016-04-28 11:05:05 +0200 |
| commit | acf19c81e345ceccde834653a0f0edce27827958 (patch) | |
| tree | 058ae154e0f167991518f486913067f4bc648725 /test | |
| parent | 32d767ee7cfcc19337892551906950621f348174 (diff) | |
compound classification fixed
Diffstat (limited to 'test')
| -rw-r--r-- | test/classification.rb | 9 |
1 files changed, 6 insertions, 3 deletions
diff --git a/test/classification.rb b/test/classification.rb index 7412714..99fde3b 100644 --- a/test/classification.rb +++ b/test/classification.rb @@ -4,7 +4,7 @@ class LazarClassificationTest < MiniTest::Test def test_lazar_classification training_dataset = Dataset.from_csv_file File.join(DATA_DIR,"hamster_carcinogenicity.csv") - model = Model::LazarClassification.create training_dataset + model = Model::LazarClassification.create training_dataset.features.first, training_dataset [ { :compound => OpenTox::Compound.from_inchi("InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H"), @@ -25,8 +25,8 @@ class LazarClassificationTest < MiniTest::Test compound = Compound.from_smiles "CCO" prediction = model.predict compound - assert_equal ["false"], prediction[:database_activities] assert_equal "true", prediction[:value] + assert_equal ["false"], prediction[:database_activities] # make a dataset prediction compound_dataset = OpenTox::Dataset.from_csv_file File.join(DATA_DIR,"EPAFHM.mini.csv") @@ -35,7 +35,10 @@ class LazarClassificationTest < MiniTest::Test cid = prediction_dataset.compounds[7].id.to_s assert_equal "Could not find similar compounds with experimental data in the training dataset.", prediction_dataset.predictions[cid][:warning] - cid = prediction_dataset.compounds[9].id.to_s + prediction_dataset.predictions.each do |cid,pred| + assert_equal "Could not find similar compounds with experimental data in the training dataset.", pred[:warning] if pred[:value].nil? + end + cid = Compound.from_smiles("CCOC(=O)N").id.to_s assert_equal "1 compounds have been removed from neighbors, because they have the same structure as the query compound.", prediction_dataset.predictions[cid][:warning] # cleanup [training_dataset,model,compound_dataset,prediction_dataset].each{|o| o.delete} |