relabeled specific C atoms to Cs to meet test requirements

ReactionMechanismGenerator · Feb 15, 2017 · f8ca8ba · f8ca8ba
1 parent 805adf4
commit f8ca8ba
Showing 1 changed file with 3 additions and 3 deletions.
diff --git 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}