r18751 - /trunk/generic_fns/bmrb.py -- March 11, 2013 - 10:50

Author: bugman
Date: Mon Mar 11 10:50:14 2013
New Revision: 18751

URL: http://svn.gna.org/viewcvs/relax?rev=18751&view=rev
Log:
Fix for the bmrb.read user function for the recent molecule, residue and spin 
metadata improvements.

The generic_fns.bmrb.generate_sequence() function now calls 
generic_fns.mol_res_spin.metadata_clean()
to be sure that the metadata is correct.  The problem is the structure of the 
BMRB file with no spin
information in the entity record, hence the residues are created first and 
the spins much later in
generate_sequence().


Modified:
    trunk/generic_fns/bmrb.py

Modified: trunk/generic_fns/bmrb.py
URL: 
http://svn.gna.org/viewcvs/relax/trunk/generic_fns/bmrb.py?rev=18751&r1=18750&r2=18751&view=diff
==============================================================================
--- trunk/generic_fns/bmrb.py (original)
+++ trunk/generic_fns/bmrb.py Mon Mar 11 10:50:14 2013
@@ -1,6 +1,6 @@
 
###############################################################################
 #                                                                            
 #
-# Copyright (C) 2008-2012 Edward d'Auvergne                                  
 #
+# Copyright (C) 2008-2013 Edward d'Auvergne                                  
 #
 #                                                                            
 #
 # This file is part of the program relax (http://www.nmr-relax.com).         
 #
 #                                                                            
 #
@@ -31,7 +31,7 @@
 from data.exp_info import ExpInfo
 import dep_check
 from generic_fns import exp_info
-from generic_fns.mol_res_spin import create_spin, generate_spin_id, 
return_residue, return_spin, set_spin_element, set_spin_isotope
+from generic_fns.mol_res_spin import create_spin, generate_spin_id, 
metadata_cleanup, return_residue, return_spin, set_spin_element, 
set_spin_isotope
 from generic_fns.pipes import cdp_name
 from generic_fns.result_files import add_result_file
 from info import Info_box
@@ -111,6 +111,9 @@
             isotope = "%s%s" % (isotopes[i], elements[i])
             set_spin_isotope(spin_id=spin_id, isotope=isotope, force=True)
 
+    # Clean up the spin metadata.
+    metadata_cleanup()
+
 
 def list_sample_conditions(star):
     """Get a listing of all the sample conditions.