From 61a0b59a491bbb26192050a1049e7f80998f125c Mon Sep 17 00:00:00 2001 From: Christoph Helma Date: Tue, 12 Sep 2017 15:46:46 +0200 Subject: initial commit --- test/kazius-alerts.rb | 17 +++++++++++++++++ 1 file changed, 17 insertions(+) create mode 100644 test/kazius-alerts.rb (limited to 'test/kazius-alerts.rb') diff --git a/test/kazius-alerts.rb b/test/kazius-alerts.rb new file mode 100644 index 0000000..ac2f098 --- /dev/null +++ b/test/kazius-alerts.rb @@ -0,0 +1,17 @@ +require 'minitest/autorun' +#require 'kazius-alerts' +require_relative '../lib/kazius-alerts.rb' + +class KaziusAlertsTest < MiniTest::Test + + def test_alerts_size + assert_equal 29, KaziusAlerts::SMARTS.size + end + + def test_kazius_alerts_prediction + prediction = KaziusAlerts.predict("c1ccccc1NN") + assert prediction[:prediction] + assert_equal [["unsubstituted heteroatom-bonded heteroatom", "[OH,NH2][N,O]", "O=N(O)[O-]"]], prediction[:matches] + end + +end -- cgit v1.2.3