r17164 - /branches/interatomic/data/__init__.py -- July 03, 2012 - 20:22

Author: bugman
Date: Tue Jul  3 20:22:55 2012
New Revision: 17164

URL: http://svn.gna.org/viewcvs/relax?rev=17164&view=rev
Log:
Bug fix for the Relax_data_store._back_compat_hook() function for the 
interatomic data support.

The calls to functions of the generic_fns package need to operate on a 
non-current data pipe.


Modified:
    branches/interatomic/data/__init__.py

Modified: branches/interatomic/data/__init__.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/interatomic/data/__init__.py?rev=17164&r1=17163&r2=17164&view=diff
==============================================================================
--- branches/interatomic/data/__init__.py (original)
+++ branches/interatomic/data/__init__.py Tue Jul  3 20:22:55 2012
@@ -219,9 +219,9 @@
                             # Name the spin if needed.
                             if spin.name == None:
                                 if search('N', spin.isotope):
-                                    
generic_fns.mol_res_spin.name_spin(spin_id=spin_id, name='N')
+                                    
generic_fns.mol_res_spin.name_spin(spin_id=spin_id, name='N', pipe=pipe_name)
                                 elif search('C', spin.isotope):
-                                    
generic_fns.mol_res_spin.name_spin(spin_id=spin_id, name='C')
+                                    
generic_fns.mol_res_spin.name_spin(spin_id=spin_id, name='C', pipe=pipe_name)
 
                             # An attached proton - convert into a spin 
container.
                             if (hasattr(spin, 'attached_proton') and 
spin.attached_proton != None) or (hasattr(spin, 'proton_type') and 
spin.proton_type != None):
@@ -236,16 +236,16 @@
                                 spin_id2 = 
generic_fns.mol_res_spin.generate_spin_id(mol_name=mol.name, res_num=res.num, 
res_name=res.name, spin_name=proton_name)
 
                                 # Create a new spin container for the proton.
-                                h_spin = 
generic_fns.mol_res_spin.create_spin(mol_name=mol.name, res_num=res.num, 
res_name=res.name, spin_name=proton_name)
+                                h_spin = 
generic_fns.mol_res_spin.create_spin(mol_name=mol.name, res_num=res.num, 
res_name=res.name, spin_name=proton_name, pipe=pipe_name)
                                 h_spin.select = False
 
                                 # Set up a dipole interaction between the 
two spins.
-                                
generic_fns.mol_res_spin.set_spin_element(spin_id=spin_id2, element='H')
-                                
generic_fns.mol_res_spin.set_spin_isotope(spin_id=spin_id2, isotope='1H')
-                                generic_fns.dipole_pair.define(spin_id1, 
spin_id2, verbose=False)
+                                
generic_fns.mol_res_spin.set_spin_element(spin_id=spin_id2, element='H', 
pipe=pipe_name)
+                                
generic_fns.mol_res_spin.set_spin_isotope(spin_id=spin_id2, isotope='1H', 
pipe=pipe_name)
+                                generic_fns.dipole_pair.define(spin_id1, 
spin_id2, verbose=False, pipe=pipe_name)
 
                                 # Get the interatomic data container.
-                                interatom = 
generic_fns.interatomic.return_interatom(spin_id1=spin_id1, spin_id2=spin_id2)
+                                interatom = 
generic_fns.interatomic.return_interatom(spin_id1=spin_id1, 
spin_id2=spin_id2, pipe=pipe_name)
 
                                 # Set the interatomic distance.
                                 if hasattr(spin, 'r'):