[bug #20417] Rare bug in the loading of old relax saved states containing alignment data, spin data, and Monte Carlo simulations. -- January 10, 2013 - 09:20

URL:
  <http://gna.org/bugs/?20417>

                 Summary: Rare bug in the loading of old relax saved states
containing alignment data, spin data, and Monte Carlo simulations.
                 Project: relax
            Submitted by: bugman
            Submitted on: Thu 10 Jan 2013 08:20:52 AM GMT
                Category: relax's source code
                Severity: 3 - Normal
                Priority: 5 - Normal
                  Status: In Progress
                 Privacy: Public
             Assigned to: bugman
         Originator Name: 
        Originator Email: 
             Open/Closed: Open
         Discussion Lock: Any
                 Release: 2.1.2
        Operating System: All systems

    _______________________________________________________

Details:

It appears that the backwards compatibility hooks for loading old state files
fails for the combination of a state with alignment data, spin data, and Monte
Carlo simulations.  This is now caught by the
State.test_align_tensor_with_mc_sims system test.  The error message from the
test (or running relax with the debug flag) is:

relax>
state.load(state='/data/edau/relax/relax-trunk/test_suite/shared_data/saved_states/align_tensor_mc.bz2',
dir=None, force=False)
Opening the file
'/data/edau/relax/relax-trunk/test_suite/shared_data/saved_states/align_tensor_mc.bz2'
for reading.

Traceback (most recent call last):
  File "test_suite/system_tests/state.py", line 70, in
test_align_tensor_with_mc_sims
    self.interpreter.state.load(path)
  File "prompt/uf_objects.py", line 219, in __call__
    self._backend(*new_args, **uf_kargs)
  File "generic_fns/state.py", line 101, in load_state
    ds.from_xml(file)
  File "data/__init__.py", line 489, in from_xml
    self._back_compat_hook(file_version, pipes=pipes)
  File "data/__init__.py", line 240, in _back_compat_hook
    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)
  File "generic_fns/mol_res_spin.py", line 1224, in create_spin
    res_cont.spin.add_item(spin_num=spin_num, spin_name=spin_name)
  File "data/mol_res_spin.py", line 258, in add_item
    raise RelaxError("The unnumbered spin name '%s' already exists." %
spin_name)
RelaxError: RelaxError: The unnumbered spin name 'H' already exists.





    _______________________________________________________

Reply to this item at:

  <http://gna.org/bugs/?20417>

_______________________________________________
  Message sent via/by Gna!
  http://gna.org/