diff options
author | Christoph Helma <helma@in-silico.ch> | 2017-08-22 19:58:41 +0200 |
---|---|---|
committer | Christoph Helma <helma@in-silico.ch> | 2017-08-22 19:58:41 +0200 |
commit | aeee43f20f0d7ee64e93f88fdf7a8bfda28ec1ce (patch) | |
tree | 204dcb814d46d991426de9dae53b62af528d8a9d /test/toxtree.rb | |
parent | d63b4729dc3af22c40e40b06d768ec24f8cdda4b (diff) |
tests for all rules
Diffstat (limited to 'test/toxtree.rb')
-rw-r--r-- | test/toxtree.rb | 13 |
1 files changed, 10 insertions, 3 deletions
diff --git a/test/toxtree.rb b/test/toxtree.rb index 9f67967..80733d1 100644 --- a/test/toxtree.rb +++ b/test/toxtree.rb @@ -3,18 +3,25 @@ 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"} + assert_equal Toxtree.predict("c1ccccc1NN"), {"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"} 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)) + Toxtree.predict(smiles,name).each do |prediction| + refute_nil prediction + assert_equal name, prediction["rule"] + assert smiles.include?(prediction["SMILES"]) + end end end + def test_urls skip end + end |