From 8c6c59980bc82dc2177147f2fe34adf8bfbc1539 Mon Sep 17 00:00:00 2001 From: Christoph Helma Date: Mon, 24 Aug 2015 12:17:07 +0200 Subject: Model::Prediction with tests, initial indexes --- test/compound.rb | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) (limited to 'test/compound.rb') diff --git a/test/compound.rb b/test/compound.rb index 7265ef5..06c19a2 100644 --- a/test/compound.rb +++ b/test/compound.rb @@ -54,7 +54,6 @@ print c.sdf def test_inchikey c = OpenTox::Compound.from_inchi "InChI=1S/C6H6/c1-2-4-6-5-3-1/h1-6H" - p c assert_equal "UHOVQNZJYSORNB-UHFFFAOYSA-N", c.inchikey end @@ -88,7 +87,8 @@ print c.sdf refute_nil c.fp4 end c = d.compounds[371] - assert c.neighbors.size >= 19 + n = c.neighbors + assert n.size >= 18, "Neighbors size (#{n.size}) should be larger than 17" end def test_openbabel_segfault -- cgit v1.2.3