Define recipe and root node from the ring opening direction for Intra_R_Add_Exocyclic

Author: hwpang

input/kinetics/families/Intra_R_Add_Exocyclic/groups.py

@@ -19,10 +19,10 @@
 autoGenerated = True
 
 recipe(actions=[
-    ['CHANGE_BOND', '*2', -1, '*3'],
-    ['FORM_BOND', '*1', 1, '*2'],
-    ['LOSE_RADICAL', '*1', '1'],
-    ['GAIN_RADICAL', '*3', '1'],
+    ['CHANGE_BOND', '*2', 1, '*3'],
+    ['BREAK_BOND', '*1', 1, '*2'],
+    ['LOSE_RADICAL', '*3', '1'],
+    ['GAIN_RADICAL', '*1', '1'],
 ])
 
 boundaryAtoms = ["*1", "*2"]
@@ -32,9 +32,9 @@
     label = "Root",
     group = 
 """
-1 *2 [Cd,Ct,Cb,Cbf,CO,CS,N]       u0 {2,[D,T,B]}
-2 *3 [Cd,Ct,Cb,Cbf,O2d,S2d,Cdd,N] u0 c0 {1,[D,T,B]}
-3 *1 R!H                          u1
+1 *2 R!H u0 c0 r1 {2,[S,B]} {3,[S,D,B]}
+2 *1 R!H u0 c0 r1 {1,[S,B]}
+3 *3 R!H u1 c0 {1,[S,D,B]}
 """,
     kinetics = None,
 )