From 6b3c75b1284b9772c4efa9b7a2acb02618be3ef7 Mon Sep 17 00:00:00 2001 From: oboyle Date: Wed, 18 Mar 2009 15:08:11 +0000 Subject: [PATCH] Correct docstring --- PR2581919.py | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/PR2581919.py b/PR2581919.py index 08d4da1..fd1d478 100755 --- a/PR2581919.py +++ b/PR2581919.py @@ -2,10 +2,10 @@ import sweet class TestCase(sweet.TestCase): - """Regression Test for PR2017902 + """Regression Test for PR2581919 - Internal atom typing error. - The first two atoms were assigned types of C+ instead of C2. + Stereochemistry in Canonical SMILES was simply being copied from + the original SMILES. This was incorrect 50% of the time. """ def setUp(self): self.mol = pybel.readstring("smi", "C=CCc1ccccc1OCC(O)CNC(C)C")