r21052 - in /branches/relax_disp: ./ data_store/mol_res_spin.py -- October 10, 2013 - 14:22

Author: bugman
Date: Thu Oct 10 14:22:36 2013
New Revision: 21052

URL: http://svn.gna.org/viewcvs/relax?rev=21052&view=rev
Log:
Merged revisions 21051 via svnmerge from 
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/trunk

........
  r21051 | bugman | 2013-10-10 14:21:49 +0200 (Thu, 10 Oct 2013) | 9 lines
  
  Fix for bug #21187 - the corrupted PDB issue with protons atom numbers of 
zero.
  
  The bug at https://gna.org/bugs/?21187 was reported by Martin Ballaschk 
(https://gna.org/users/mab).
  
  The fix was to allow for spin containers in the relax data store to have 
the same atom number, as
  long as the atom names are different.  Note - this may cause problems in 
the future so a better
  solution might have to be found.
........

Modified:
    branches/relax_disp/   (props changed)
    branches/relax_disp/data_store/mol_res_spin.py

Propchange: branches/relax_disp/
------------------------------------------------------------------------------
--- svnmerge-integrated (original)
+++ svnmerge-integrated Thu Oct 10 14:22:36 2013
@@ -1,1 +1,1 @@
-/trunk:1-21049
+/trunk:1-21051

Modified: branches/relax_disp/data_store/mol_res_spin.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/relax_disp/data_store/mol_res_spin.py?rev=21052&r1=21051&r2=21052&view=diff
==============================================================================
--- branches/relax_disp/data_store/mol_res_spin.py (original)
+++ branches/relax_disp/data_store/mol_res_spin.py Thu Oct 10 14:22:36 2013
@@ -245,14 +245,13 @@
             # Test if the spin number (or name if unnumbered) already exists.
             for i in range(len(self)):
                 # Spin number has been supplied.
-                if spin_num != None:
-                    if self[i].num == spin_num:
-                        raise RelaxError("The spin number '%s' already 
exists." % spin_num)
+                if spin_num != None and spin_name != None:
+                    if self[i].num == spin_num and self[i].name == spin_name:
+                        raise RelaxError("The spin with name '%s' and number 
'%s' already exists." % (spin_name, spin_num))
 
                 # No spin numbers.
-                else:
-                    if self[i].name == spin_name:
-                        raise RelaxError("The unnumbered spin name '%s' 
already exists." % spin_name)
+                if spin_num == None and  self[i].name == spin_name:
+                    raise RelaxError("The unnumbered spin name '%s' already 
exists." % spin_name)
 
             # Append a new SpinContainer.
             self.append(SpinContainer(spin_name, spin_num, select))