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