Author: bugman
Date: Wed Oct 1 19:44:37 2014
New Revision: 26120
URL: http://svn.gna.org/viewcvs/relax?rev=26120&view=rev
Log:
Another bug fix for the structure.delete user function when deleting individual
atoms.
The bonded atom data structure consisting of indices requires all indices after
the deleted atom to
be decremented by 1.
Modified:
trunk/lib/structure/internal/object.py
Modified: trunk/lib/structure/internal/object.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/lib/structure/internal/object.py?rev=26120&r1=26119&r2=26120&view=diff
==============================================================================
--- trunk/lib/structure/internal/object.py (original)
+++ trunk/lib/structure/internal/object.py Wed Oct 1 19:44:37 2014
@@ -1614,6 +1614,11 @@
if i in mol.bonded[j]:
mol.bonded[j].pop(mol.bonded[j].index(i))
+ # Update the bonded lists, as the indices need to be
shifted.
+ for j in range(i, len(mol.bonded)):
+ for k in range(len(mol.bonded[j])):
+ mol.bonded[j][k] -= 1
+
# Nothing more to do.
if not len(del_res_nums):
return
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