Re: relax 3.3.1. -- October 07, 2014 - 16:51

Hi Edward.

Yes, I saw the same.

I did know how to fix that.

I dont know why " 'MoleculeContainer' object has no attribute
'_res_name_count'".

Is it because the spins are created manually?

Best
Troels


2014-10-07 16:47 GMT+02:00 Edward d'Auvergne <edward@xxxxxxxxxxxxx>:

> Hi Troels,
>
> I'm thinking of releasing relax 3.3.1 with all of the recent bugfixes
> and minor improvements.  There are enough changes to make this
> worthwhile.  However I can see that there is still an issue with the
> unit tests:
>
> $ ./relax -u test_suite.unit_tests._pipe_control.test_value --time
> [snip]
> ======================================================================
> ERROR: test_value_set_r1_rit
> (test_suite.unit_tests._pipe_control.test_value.Test_value)
> Test of the pipe_control.value.set() function.
> ----------------------------------------------------------------------
> The spectrum ID 'test' is now set to the R1rho-type experiment.
> Traceback (most recent call last):
>   File
> "/data/relax/relax-trunk/test_suite/unit_tests/_pipe_control/test_value.py",
> line 180, in test_value_set_r1_rit
>     value.set(val=None, param='r2')
>   File "/data/relax/relax-trunk/pipe_control/value.py", line 424, in set
>     api.set_param_values(param=param, value=val, index=index,
> spin_id=spin_id, error=error, force=force)
>   File "/data/relax/relax-trunk/specific_analyses/relax_disp/api.py",
> line 1182, in set_param_values
>     for spin_ids in self.model_loop():
>   File "/data/relax/relax-trunk/specific_analyses/relax_disp/api.py",
> line 868, in model_loop
>     for spin, spin_id in spin_loop(return_id=True):
>   File "/data/relax/relax-trunk/pipe_control/mol_res_spin.py", line
> 3808, in spin_loop
>     spin_id = generate_spin_id_unique(pipe_cont=dp, mol=mol, res=res,
> spin=spin)
>   File "/data/relax/relax-trunk/pipe_control/mol_res_spin.py", line
> 1497, in generate_spin_id_unique
>     if res and res.name != None and mol._res_name_count[res.name] > 1:
> AttributeError: 'MoleculeContainer' object has no attribute
> '_res_name_count'
>
> ----------------------------------------------------------------------
>
> Using bisection (via svn up -rxxxxxx), I can see that this failure was
> introduced at your commit r26161
> (http://article.gmane.org/gmane.science.nmr.relax.scm/23913).  Once
> this is fixed, I'll look at pushing out all the changes into relax
> 3.3.1.  Or do you have some important changes in mind that you think
> should go into this release, rather than in relax 3.3.2?
>
> Cheers,
>
> Edward
>
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