Author: bugman
Date: Wed Aug 10 22:07:16 2011
New Revision: 14325
URL: http://svn.gna.org/viewcvs/relax?rev=14325&view=rev
Log:
Merged revisions 14324 via svnmerge from
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/1.3
........
r14324 | bugman | 2011-08-10 22:05:58 +0200 (Wed, 10 Aug 2011) | 6 lines
Bug fix for the structure.create_diff_tensor_pdb user function for when no
element info is available.
These atoms where the element is not in the PDB file or cannot be
determined should have been
skipped.
........
Modified:
branches/gui_testing/ (props changed)
branches/gui_testing/generic_fns/structure/mass.py
Propchange: branches/gui_testing/
------------------------------------------------------------------------------
--- svnmerge-integrated (original)
+++ svnmerge-integrated Wed Aug 10 22:07:16 2011
@@ -1,1 +1,1 @@
-/1.3:1-14292
+/1.3:1-14324
Modified: branches/gui_testing/generic_fns/structure/mass.py
URL:
http://svn.gna.org/viewcvs/relax/branches/gui_testing/generic_fns/structure/mass.py?rev=14325&r1=14324&r2=14325&view=diff
==============================================================================
--- branches/gui_testing/generic_fns/structure/mass.py (original)
+++ branches/gui_testing/generic_fns/structure/mass.py Wed Aug 10 22:07:16
2011
@@ -1,6 +1,6 @@
###############################################################################
#
#
-# Copyright (C) 2003-2009 Edward d'Auvergne
#
+# Copyright (C) 2003-2011 Edward d'Auvergne
#
#
#
# This file is part of the program relax.
#
#
#
@@ -88,7 +88,8 @@
# No element?
if element == None:
- warn(RelaxWarning("Skipping the atom '%s' as the element name
does not exist in the PDB file." % id))
+ warn(RelaxWarning("Skipping the atom '%s' as the element type
cannot be determined." % id))
+ continue
# Atomic mass.
try:
r14325 - in /branches/gui_testing: ./ generic_fns/structure/mass.py