Author: bugman
Date: Wed Oct 1 19:44:32 2014
New Revision: 26117
URL: http://svn.gna.org/viewcvs/relax?rev=26117&view=rev
Log:
Bug fix for the structure.delete user function.
When individual atoms are deleted, the bonded atom data structure is no
correctly updated to remove
the now non-existent atom.
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=26117&r1=26116&r2=26117&view=diff
==============================================================================
--- trunk/lib/structure/internal/object.py (original)
+++ trunk/lib/structure/internal/object.py Wed Oct 1 19:44:32 2014
@@ -1609,6 +1609,11 @@
if res_num not in mol.res_num and res_num not in
del_res_nums:
del_res_nums.append(res_num)
+ # Second atom of the bonded pair.
+ for j in range(len(mol.bonded)):
+ if i in mol.bonded[j]:
+ mol.bonded[j].pop(mol.bonded[j].index(i))
+
# Nothing more to do.
if not len(del_res_nums):
return
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