From aeee43f20f0d7ee64e93f88fdf7a8bfda28ec1ce Mon Sep 17 00:00:00 2001 From: Christoph Helma Date: Tue, 22 Aug 2017 19:58:41 +0200 Subject: tests for all rules --- test/toxtree.rb | 13 ++++++++++--- 1 file changed, 10 insertions(+), 3 deletions(-) (limited to 'test') 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 -- cgit v1.2.3