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-rw-r--r--test/toxtree.rb13
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