Define root node and recipe from the reverse direction for Intra_R_Add_Endocyclic

Author: hwpang

input/kinetics/families/Intra_R_Add_Endocyclic/groups.py

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