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author | Christoph Helma <helma@in-silico.ch> | 2017-08-22 19:41:21 +0200 |
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committer | Christoph Helma <helma@in-silico.ch> | 2017-08-22 19:41:21 +0200 |
commit | d63b4729dc3af22c40e40b06d768ec24f8cdda4b (patch) | |
tree | 0a6923f7011d9e42f8d753181077e87a1f90fe30 /test |
initial commit
Diffstat (limited to 'test')
-rw-r--r-- | test/toxtree.rb | 20 |
1 files changed, 20 insertions, 0 deletions
diff --git a/test/toxtree.rb b/test/toxtree.rb new file mode 100644 index 0000000..9f67967 --- /dev/null +++ b/test/toxtree.rb @@ -0,0 +1,20 @@ +require 'json' +require 'minitest/autorun' +require_relative '../lib/toxtree.rb' + +class ToxtreeTest < MiniTest::Test + def test_cramer + skip + assert_equal Toxtree.predict("c1ccccc1NN"), {:smiles=>"c1ccccc1NN", :prediction=>"High (Class III)", :rule=>"Cramer rules"} + end + def test_all_rules + smiles = ["c1ccccc1NN","c1ccccc1N","CCC(CC)CC#N"] + Toxtree::RULES.each do |name,rule| + puts JSON.pretty_generate(Toxtree.predict(smiles,name)) + end + end + def test_urls + skip + end +end + |