From d0c6234fed7d45227fcf9309cb6dc0854d17e647 Mon Sep 17 00:00:00 2001 From: Christoph Helma Date: Sun, 28 Feb 2016 16:00:15 +0100 Subject: physchem calculation and storage in compouds --- test/feature.rb | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) (limited to 'test/feature.rb') diff --git a/test/feature.rb b/test/feature.rb index 9a8a056..c224e41 100644 --- a/test/feature.rb +++ b/test/feature.rb @@ -57,7 +57,10 @@ class FeatureTest < MiniTest::Test def test_physchem_description assert_equal 355, PhysChem.descriptors.size - assert_equal 330, PhysChem.unique_descriptors.size + assert_equal 15, PhysChem.openbabel_descriptors.size + assert_equal 295, PhysChem.cdk_descriptors.size + assert_equal 45, PhysChem.joelib_descriptors.size + assert_equal 310, PhysChem.unique_descriptors.size end def test_physchem -- cgit v1.2.3