diff options
Diffstat (limited to 'test/classification.rb')
-rw-r--r-- | test/classification.rb | 23 |
1 files changed, 16 insertions, 7 deletions
diff --git a/test/classification.rb b/test/classification.rb index 99fde3b..78f22a6 100644 --- a/test/classification.rb +++ b/test/classification.rb @@ -9,18 +9,12 @@ class LazarClassificationTest < MiniTest::Test [ { :compound => OpenTox::Compound.from_inchi("InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H"), :prediction => "false", - :confidence => 0.25281385281385277, - :nr_neighbors => 11 },{ :compound => OpenTox::Compound.from_smiles("c1ccccc1NN"), :prediction => "false", - :confidence => 0.3639589577089577, - :nr_neighbors => 14 } ].each do |example| prediction = model.predict example[:compound] assert_equal example[:prediction], prediction[:value] - #assert_equal example[:confidence], prediction[:confidence] - #assert_equal example[:nr_neighbors], prediction[:neighbors].size end compound = Compound.from_smiles "CCO" @@ -29,7 +23,7 @@ class LazarClassificationTest < MiniTest::Test assert_equal ["false"], prediction[:database_activities] # make a dataset prediction - compound_dataset = OpenTox::Dataset.from_csv_file File.join(DATA_DIR,"EPAFHM.mini.csv") + compound_dataset = OpenTox::Dataset.from_csv_file File.join(DATA_DIR,"EPAFHM.mini_log10.csv") prediction_dataset = model.predict compound_dataset assert_equal compound_dataset.compounds, prediction_dataset.compounds @@ -43,4 +37,19 @@ class LazarClassificationTest < MiniTest::Test # cleanup [training_dataset,model,compound_dataset,prediction_dataset].each{|o| o.delete} end + + def test_lazar_kazius + t = Time.now + dataset = Dataset.from_csv_file File.join(DATA_DIR,"kazius.csv") + t = Time.now + model = Model::LazarClassification.create(dataset.features.first,dataset) + t = Time.now + 2.times do + compound = Compound.from_smiles("Clc1ccccc1NN") + prediction = model.predict compound + assert_equal "1", prediction[:value] + #assert_in_delta 0.019858401199860445, prediction[:confidence], 0.001 + end + dataset.delete + end end |