mailr5523 - /1.3/generic_fns/structure/scientific.py


Others Months | Index by Date | Thread Index
>>   [Date Prev] [Date Next] [Thread Prev] [Thread Next]

Header


Content

Posted by edward on April 10, 2008 - 11:26:
Author: bugman
Date: Thu Apr 10 11:26:31 2008
New Revision: 5523

URL: http://svn.gna.org/viewcvs/relax?rev=5523&view=rev
Log:
The Scientific atom_loop() structural API method now properly returns the 
element name.


Modified:
    1.3/generic_fns/structure/scientific.py

Modified: 1.3/generic_fns/structure/scientific.py
URL: 
http://svn.gna.org/viewcvs/relax/1.3/generic_fns/structure/scientific.py?rev=5523&r1=5522&r2=5523&view=diff
==============================================================================
--- 1.3/generic_fns/structure/scientific.py (original)
+++ 1.3/generic_fns/structure/scientific.py Thu Apr 10 11:26:31 2008
@@ -135,6 +135,7 @@
                         # Atom number, name, and position.
                         atom_num = atom.properties['serial_number']
                         atom_name = atom.name
+                        element = atom.properties['element']
                         pos = atom.position.array
 
                         # Skip non-matching atoms.




Related Messages


Powered by MHonArc, Updated Thu Apr 10 11:40:09 2008