From af018a420d679cbd612a2dbab26e898204449e7d Mon Sep 17 00:00:00 2001 From: Matt Johnson Date: Sat, 1 Sep 2018 14:14:33 -0400 Subject: [PATCH] make top node of intra_H_migration not an OR and add reverseMap --- input/kinetics/families/intra_H_migration/groups.py | 8 +++++++- 1 file changed, 7 insertions(+), 1 deletion(-) diff --git a/input/kinetics/families/intra_H_migration/groups.py b/input/kinetics/families/intra_H_migration/groups.py index 7cc996b8e7..7cba17146b 100644 --- a/input/kinetics/families/intra_H_migration/groups.py +++ b/input/kinetics/families/intra_H_migration/groups.py @@ -18,12 +18,18 @@ ['LOSE_RADICAL', '*1', '1'], ]) +reverseMap = {'*1':'*2','*2':'*1'} + boundaryAtoms = ["*1", "*2"] entry( index = 0, label = "RnH", - group = "OR{R2Hall, R3Hall, R4Hall, R5Hall, R6Hall, R7Hall, R8Hall}", + group = """ +1 *2 R!H u0 {3,S} +2 *1 R!H u1 +3 *3 H u0 {1,S} +""", kinetics = None, )