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-rw-r--r--test/toxtree.rb14
1 files changed, 14 insertions, 0 deletions
diff --git a/test/toxtree.rb b/test/toxtree.rb
index b1d6274..772eee8 100644
--- a/test/toxtree.rb
+++ b/test/toxtree.rb
@@ -22,5 +22,19 @@ class ToxtreeTest < MiniTest::Test
skip
end
+ def test_no_prediction
+ assert_equal Toxtree.predict("O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCS(=O)(=O)Oc1ccccc1"), {"rule"=>"Cramer rules", "SMILES"=>"O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCS(=O)(=O)Oc1ccccc1", "Cramer rules"=>nil}
+ end
+
+ def test_no_prediction_array
+ assert_equal Toxtree.predict(["O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCS(=O)(=O)Oc1ccccc1","O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCS(=O)(=O)Oc1ccccc1"]), [{"rule"=>"Cramer rules", "SMILES"=>"O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCS(=O)(=O)Oc1ccccc1", "Cramer rules"=>nil}, {"rule"=>"Cramer rules", "SMILES"=>"O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCS(=O)(=O)Oc1ccccc1", "Cramer rules"=>nil}]
+ end
+
+ def test_with_and_without_prediction_array
+ predictions = Toxtree.predict(["c1ccccc1NN","O=S(=O)(Oc1ccccc1)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCS(=O)(=O)Oc1ccccc1"])
+ assert_equal predictions.size, 2
+ assert_equal predictions, [{"rule"=>"Cramer rules", "SMILES"=>"c1ccccc1NN", "CRAMERFLAGS"=>nil, "Cramer rules"=>"High (Class III)", "toxTree.tree.cramer.CramerTreeResult"=>"1N,2N,3N,5N,6N,7N,16N,17N,19N,23Y,27Y,28N,30Y,31N,32N,22N,33N"}, {"rule"=>"Cramer rules", "SMILES"=>"nil", "CRAMERFLAGS"=>"nil", "Cramer rules"=>"nil", "toxTree.tree.cramer.CramerTreeResult"=>"nil"}]
+ end
+
end