It seems value.write does not accept list of model parameters.
self.interpreter.value.write(param=['model','kex'], file=self.tmpfile,
dir=None, force=True)
It expects a string as input. :-)
-----------
relax> value.write(param=['model', 'kex'], file='/tmp/tmpdeGHiI',
dir=None, scaling=1.0, comment=None, bc=False, force=True)
Traceback (most recent call last):
File
"/sbinlab2/tlinnet/software/NMR-relax/relax_disp/test_suite/system_tests/relax_disp.py",
line 1433, in test_value_write_disp_model
self.interpreter.value.write(param=['model','kex'],
file=self.tmpfile, dir=None, force=True)
File "/sbinlab2/tlinnet/software/NMR-relax/relax_disp/prompt/uf_objects.py",
line 200, in __call__
lib.arg_check.is_str(value, desc_short, can_be_none=can_be_none)
File "/sbinlab2/tlinnet/software/NMR-relax/relax_disp/lib/arg_check.py",
line 862, in is_str
raise RelaxStrError(name, arg)
RelaxStrError: RelaxError: The parameter argument '['model', 'kex']'
must be a string.
Troels Emtekær Linnet
2013/9/10 Troels Emtekær Linnet <[email protected]>:
> Well well well.
>
> That's very smart with the list of things which should be written out.
>
> So, I think it now boils down to a level of convenience.
>
> ----------
> * Problem
>
> When I look in the "final" run directory, I do not readily have access
> to a file (or a plot ref:
> http://article.gmane.org/gmane.science.nmr.relax.devel/4425)
> which tells me which model has been used per spin.
>
> I see this information as vital, and I believe it should be presented
> as easy as possible.
>
> I can create such a list in relax, but is is not "easily reached".
>
> I do not understand why there is a desire not to include a column with
> the spin.model information.
> There is probably a deeper lying reason for this.
>
> But where should I tackle this problem?
> 1) The spin.model is included as column in the value.write parameter file.
> - Cons: This information is superfluous for the writing of each of the models.
> - Cons: Change of file formats can give un-expected problems for users.
>
> 2) The spin.model is included as column in the value.write parameter
> file for the "final" round.
> - Pro: This gives the overview I am looking for.
> - Cons: Change of file formats can give problems.
>
> 3) A "model" file is written out for the "final" round.
> - Cons: It is annoying to compare between two files.
>
> 4) Duplicates of all parameter files, where the copy include the
> spin.model as a column.
> Well, dublicate of files is not "nice".
>
> ------------
>
> Given that linux have the ability to merge text files:
>> paste kex.out dw.out
>
> I can "survive" with option 3, and I think this is what you are hinting for.
>
> Best
> Troels
>
>
> Troels Emtekær Linnet
>
>
> 2013/9/10 Edward d'Auvergne <[email protected]>:
>> Hi,
>>
>> In that case you can use the power of the value.write user function:
>>
>> value.write(param=['model', 'kex'], file=...
>>
>> But this should be in a new file. The standard kex.out file which
>> contains the kex value from all models is the desired outcome. It
>> should not matter what model the kex value comes from, as long as that
>> model can be considered reasonable for the system. If you would like
>> the kex.out file per model, that already exists. It will be output
>> for each model in the directory for that model.
>>
>> Regards,
>>
>> Edward
>>
>>
>>
>>
>> On 10 September 2013 16:22, Troels E. Linnet
>> <[email protected]> wrote:
>>> Follow-up Comment #1, sr #3078 (project relax):
>>>
>>> Hi Edward.
>>>
>>> You suggested:
>>> value.write(param='model', file=...
>>>
>>> but that would create a new file for writing out the models ?
>>>
>>> I would like to have the model information included when you write out a
>>> parameter like 'kex'.
>>>
>>> In the same way that you have for example for kex:
>>> mol_name res_num res_name spin_num spin_name value error
>>>
>>> I would like to also include spin_model
>>>
>>> The reason for this, is that in the "final" run, you would have one kex.out
>>> file, with a mixup of the different models.
>>>
>>> _______________________________________________________
>>>
>>> Reply to this item at:
>>>
>>> <http://gna.org/support/?3078>
>>>
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