Hi Troels,
The best way to fix this one might be to revert the commit, then
introduce the spin_id_col argument into the already existing
select.display user function. This must be optional so that the
default behaviour matches all of the other *.write user functions
(e.g. http://www.nmr-relax.com/manual/value_write.html) where the
mol_name, res_num, res_name, spin_num, spin_name, (data, error) are
output by default. For the general relax design, the behaviour of all
*.write user functions should be kept consistent. Also for the
matching *.display user functions. And the matching *.read user
functions:
$ grep "add_uf('.*\.display'\|add_uf('.*\.read'\|add_uf('.*\.write'"
user_functions/*
If one change is made in one, it must be made in all! This is simply
to keep everything consistent throughout the UI to avoid user
confusion. If the spin_id_col argument is optional, defaults to
False, and inserts the column between the last spin info column and
the data column, then I can slowly migrate all these functions
one-by-one to match. If the spin_id_col argument is introduced in
select.display it will, without question, be added to all *.display
and *.write user functions in relax!
The idea for the select user function class is that we will have a
select.write user function in the future, for outputting the
selections to a text file. This would pair with the select.read (and
deselect.read) to read them back in, though these user functions might
need to change a little. The select.write and select.display would
essentially be identical except that one outputs to sys.stdout and the
other to a file. This would then match the other *.display, *.read,
and *.write user function combinations.
Cheers,
Edward
On 8 September 2014 19:33, Edward d'Auvergne <[email protected]> wrote:
> Hi Troels,
>
> The spin ID is ok, though it should be an optional flag as this change
> will cause problems for users and all other elements are optional.
> But the selection should not be printed. The reason is because you
> are duplicating the exact functionality of the select.display user
> function (http://www.nmr-relax.com/manual/select_display.html). If
> you want the spin ID for that user function, introduce it as an
> argument.
>
> Regards,
>
> Edward
>
> On 8 September 2014 18:49, <[email protected]> wrote:
>> Author: tlinnet
>> Date: Mon Sep 8 18:49:34 2014
>> New Revision: 25685
>>
>> URL: http://svn.gna.org/viewcvs/relax?rev=25685&view=rev
>> Log:
>> For the user function, spin.display(), added the print out of spin id, and
>> status for selection.
>>
>> This is to help with showing the spin id string for selection, and the
>> current status of selection.
>>
>> task #7826(https://gna.org/task/index.php?7826): Write an python class for
>> the repeated analysis of dispersion data.
>>
>> Modified:
>> trunk/pipe_control/mol_res_spin.py
>>
>> Modified: trunk/pipe_control/mol_res_spin.py
>> URL:
>> http://svn.gna.org/viewcvs/relax/trunk/pipe_control/mol_res_spin.py?rev=25685&r1=25684&r2=25685&view=diff
>> ==============================================================================
>> --- trunk/pipe_control/mol_res_spin.py (original)
>> +++ trunk/pipe_control/mol_res_spin.py Mon Sep 8 18:49:34 2014
>> @@ -1141,12 +1141,12 @@
>> """
>>
>> # Print a header.
>> - print("\n\n%-15s %-15s %-15s %-15s %-15s" % ("Molecule", "Res number",
>> "Res name", "Spin number", "Spin name"))
>> + print("\n\n%-15s %-15s %-15s %-15s %-15s %-15s %-15s" % ("Molecule",
>> "Res number", "Res name", "Spin number", "Spin name", "Spin id", "Selected"))
>>
>> # Spin loop.
>> - for spin, mol_name, res_num, res_name in spin_loop(spin_id,
>> full_info=True):
>> + for spin, mol_name, res_num, res_name, spin_id in spin_loop(spin_id,
>> full_info=True, return_id=True, skip_desel=False):
>> # Print the residue data.
>> - print("%-15s %-15s %-15s %-15s %-15s" % (mol_name, repr(res_num),
>> res_name, repr(spin.num), spin.name))
>> + print("%-15s %-15s %-15s %-15s %-15s %-15s %-15s" % (mol_name,
>> repr(res_num), res_name, repr(spin.num), spin.name, spin_id, spin.select))
>>
>>
>> def exists_mol_res_spin_data(pipe=None):
>>
>>
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