From f8ca8ba092a7e4044105bd0c72cad05e3c1a53cf Mon Sep 17 00:00:00 2001 From: Matt Johnson Date: Tue, 14 Feb 2017 14:38:49 -0500 Subject: [PATCH] relabeled specific C atoms to Cs to meet test requirements --- input/kinetics/families/ketoenol/groups.py | 6 +++--- 1 file changed, 3 insertions(+), 3 deletions(-) diff --git a/input/kinetics/families/ketoenol/groups.py b/input/kinetics/families/ketoenol/groups.py index 479216b0f9..4446b9b9a5 100644 --- a/input/kinetics/families/ketoenol/groups.py +++ b/input/kinetics/families/ketoenol/groups.py @@ -168,7 +168,7 @@ group = """ 1 *2 C u0 {2,S} -2 C u0 {1,S} {3,S} {4,S} {5,S} +2 Cs u0 {1,S} {3,S} {4,S} {5,S} 3 H u0 {2,S} 4 H u0 {2,S} 5 H u0 {2,S} @@ -194,8 +194,8 @@ group = """ 1 *2 C u0 {2,S} -2 C u0 {1,S} {3,S} {4,S} {5,S} -3 C u0 {2,S} {6,S} {7,S} {8,S} +2 Cs u0 {1,S} {3,S} {4,S} {5,S} +3 Cs u0 {2,S} {6,S} {7,S} {8,S} 4 H u0 {2,S} 5 H u0 {2,S} 6 H u0 {3,S}