openbabel/openbabel-3.1.1-fix_bug2217...

40 lines
1.6 KiB
Diff

From 7de27f309db5f7ec026ef5c5235e5b33bf7d1a85 Mon Sep 17 00:00:00 2001
From: John Bollinger <John.Bollinger@StJude.org>
Date: Thu, 14 May 2020 08:46:40 -0500
Subject: [PATCH] Fix test failure with Python 3
When run with Python 3.6, test/testdistgeom.py fails with a SyntaxError
about a malformed character escape. This arises from a failure to escape
literal backslash characters in single-quoted SMILES strings (several
occurrences). Python 2 accepts this and does the right things with it,
but Python 3 rejects it.
Fixes #2217
---
test/testdistgeom.py | 10 +++++-----
1 file changed, 5 insertions(+), 5 deletions(-)
diff --git a/test/testdistgeom.py b/test/testdistgeom.py
index 0fa5adb576..fc3a7515b9 100644
--- a/test/testdistgeom.py
+++ b/test/testdistgeom.py
@@ -42,13 +42,13 @@ def testSMItoSMI(self):
'C1CC[C@H]2[C@@H](C1)CCCC2', # cis-decalin
'C1CC[C@@H]2[C@@H](C1)CCCC2', # trans-decalin
'[C@H]1(NC[C@H]2[C@H]1N2)OC',
- 'Clc1cccc(Cl)c1\C=N\NC(=O)c1cccs1',
- 'O=C1NC(=S)S\C1=C/c1ccco1',
+ 'Clc1cccc(Cl)c1\\C=N\\NC(=O)c1cccs1',
+ 'O=C1NC(=S)S\\C1=C/c1ccco1',
'S=C1NC(=O)/C(=C/c2ccco2)/S1',
- 'O=C1NC(=S)N\C1=C\c1ccncc1',
+ 'O=C1NC(=S)N\\C1=C\\c1ccncc1',
'S=C1NC(=O)C(=C)N1',
- 'CC(=O)N\N=C\c1ccncc1',
- 'N/N=c/1\sc2c(n1C)cccc2',
+ 'CC(=O)N\\N=C\\c1ccncc1',
+ 'N/N=c/1\\sc2c(n1C)cccc2',
'OCCN/C=C\\1/C(=NN(C1=O)c1ccccc1)C',
'Cc1ccc(o1)/C=C/C=O',
# disabled to make test run faster: