bugrelax - Bugs: bug #20421, The loading of certain old relax...

 
 
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bug #20421: The loading of certain old relax state files containing multiple data pipes fails.

Submitted by:  Edward d Auvergne <bugman>
Submitted on:  Thu 10 Jan 2013 03:13:21 PM UTC  
 
Category: relax's source codeSpecific analysis category: None
Priority: 7 - HighSeverity: 4 - Important
Status: FixedAssigned to: Edward d Auvergne <bugman>
Originator Name: Open/Closed: Closed
Release: 2.1.2Operating System: All systems

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Thu 10 Jan 2013 03:15:45 PM UTC, SVN revision 18194:

Merged revisions 18193 via svnmerge from
svn+ssh://bugman@svn.gna.org/svn/relax/trunk

........
r18193 | bugman | 2013-01-10 16:15:19 +0100 (Thu, 10 Jan 2013) | 6 lines

Fix for bug #20421 (https://gna.org/bugs/?20421).

The loading of relax state files was only updating the spin ID metadata structures for the current
data pipe. Now all loaded data pipes are updated.
........

(Browse SVN revision 18194)

Edward d Auvergne <bugman>
Project AdministratorIn charge of this item.
Thu 10 Jan 2013 03:15:19 PM UTC, SVN revision 18193:

Fix for bug #20421 (https://gna.org/bugs/?20421).

The loading of relax state files was only updating the spin ID metadata structures for the current
data pipe. Now all loaded data pipes are updated.

(Browse SVN revision 18193)

Edward d Auvergne <bugman>
Project AdministratorIn charge of this item.
Thu 10 Jan 2013 03:13:21 PM UTC, original submission:

It appears as if the spin ID metadata structures are not properly updated when loading the state. This is being caught by the State.test_align_tensor_with_mc_sims system test with the error:

======================================================================
ERROR: Test the loading of a relax state with an alignment tensor with MC simulation structures.
----------------------------------------------------------------------
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 509, in from_xml
self._back_compat_hook(file_version, pipes=pipes)
File "data/__init__.py", line 257, 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 1226, in create_spin
res_cont.spin.add_item(spin_num=spin_num, spin_name=spin_name)
File "data/mol_res_spin.py", line 256, in add_item
raise RelaxError("The unnumbered spin name '%s' already exists." % spin_name)
RelaxError: RelaxError: The unnumbered spin name 'H' already exists.

----------------------------------------------------------------------

Edward d Auvergne <bugman>
Project AdministratorIn charge of this item.

 

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    Follow 2 latest changes.

    Date Changed By Updated Field Previous Value => Replaced By
    Thu 10 Jan 2013 03:15:56 PM UTCbugmanStatusIn Progress=>Fixed
      Open/ClosedOpen=>Closed
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