mailr17027 - /branches/interatomic/generic_fns/relax_data.py


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Posted by edward on June 22, 2012 - 15:06:
Author: bugman
Date: Fri Jun 22 15:06:24 2012
New Revision: 17027

URL: http://svn.gna.org/viewcvs/relax?rev=17027&view=rev
Log:
Fix for the relax_data module pack_data() function for the trunk changes of 
r17021.

For the relax_data.read user function spin_id argument to be respected, the
return_spin_from_selection() function needs to be used to return multiple 
matching spins.


Modified:
    branches/interatomic/generic_fns/relax_data.py

Modified: branches/interatomic/generic_fns/relax_data.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/interatomic/generic_fns/relax_data.py?rev=17027&r1=17026&r2=17027&view=diff
==============================================================================
--- branches/interatomic/generic_fns/relax_data.py (original)
+++ branches/interatomic/generic_fns/relax_data.py Fri Jun 22 15:06:24 2012
@@ -36,7 +36,7 @@
 from data.exp_info import ExpInfo
 from generic_fns import bmrb
 from generic_fns.interatomic import create_interatom, return_interatom
-from generic_fns.mol_res_spin import Selection, create_spin, 
exists_mol_res_spin_data, find_index, generate_spin_id, get_molecule_names, 
return_spin, spin_index_loop, spin_loop
+from generic_fns.mol_res_spin import Selection, create_spin, 
exists_mol_res_spin_data, find_index, generate_spin_id, get_molecule_names, 
return_spin, return_spin_from_selection, spin_index_loop, spin_loop
 from generic_fns import pipes
 from generic_fns import value
 from physical_constants import element_from_isotope, number_from_isotope
@@ -827,7 +827,7 @@
     data = []
     for i in range(N):
         # Get the corresponding spin container.
-        mol_names, res_nums, res_names, spins = return_spin(spin_ids[i], 
full_info=True, multi=True)
+        spins = return_spin_from_selection(spin_ids[i], multi=True)
         if spins in [None, []]:
             raise RelaxNoSpinError(spin_ids[i])
 




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