[gmx-developers] mdp option names

[Alexey Shvetsov]

Szilárd Páll писал 21.11.2011 16:24:
> I was about to approve the patch in gerrit, but I realized that there
> is one thing we might have overlooked: mdp option names should be
> consistent across standard output, the man pages, and manual.
>
> Questions:
>
> i) Are there more references to mdp options in the code (e.g. help
> header text, warning/error
> messages)?
>
I'm not sure about manual. If its generated automaticaly then there 
should be no problem.
All error messages are fixed in patch. As well as output to md.log. 
Seems all other messages were fixed in patch.

> ii) Should we file a separate task in Redmine for fixes in the manual
> and get the patch approves as soon as i) is clarified?
>
> Cheers,
> --
> Szilárd
>
>
>
> On Fri, Oct 21, 2011 at 1:04 AM, Szilárd Páll 
> <szilard.pall at cbr.su.se> wrote:
>> Although in Gromacs hyphen and underscore are interchangeable, I do
>> think Alexey's suggestion is good. It improves consistency and
>> starting the change by generating and documenting only options with
>> hyphen only could enable us to maybe brake this non-differentiation 
>> in
>> later versions (say 5+ as the option parsing will be reworked) 
>> without
>> causing too much trouble.
>>
>> --
>> Szilárd
>>
>>
>>
>> On Thu, Oct 20, 2011 at 9:23 PM, Justin A. Lemkul <jalemkul at vt.edu> 
>> wrote:
>>>
>>> Aren't the hyphen and underscore interchangeable, such that either 
>>> is
>>> already accepted?
>>>
>>> -Justin
>>>
>>> Alexey Shvetsov wrote:
>>>>
>>>> Hi all!
>>>>
>>>> Seems it will be good idea to have all mdp option names 
>>>> consistent. In its
>>>> current state some of them has '-' in its names like E-t while 
>>>> some other
>>>> options has '_' in their names like init_step. It will be good if 
>>>> all
>>>> options
>>>> will have same naming scheme like only '_' in names or only '-' in 
>>>> its
>>>> names.
>>>> Also it will simplyfy mdp file generation and parsing  by external
>>>> software.
>>>>
>>>> I prepared two patches in gerrit
>>>>
>>>> https://gerrit.gromacs.org/229 <- it replaces '_' to '-' in mdp 
>>>> option
>>>> names
>>>>
>>>> https://gerrit.gromacs.org/229 <- it changes mdp.html and 
>>>> mdp_opt.html
>>>>
>>>> PS currently we use such mdp file parser for gromacs grid ui in 
>>>> nnn grid
>>>>
>>>
>>> --
>>> ========================================
>>>
>>> Justin A. Lemkul
>>> Ph.D. Candidate
>>> ICTAS Doctoral Scholar
>>> MILES-IGERT Trainee
>>> Department of Biochemistry
>>> Virginia Tech
>>> Blacksburg, VA
>>> jalemkul[at]vt.edu | (540) 231-9080
>>> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
>>>
>>> ========================================
>>> --
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>>

-- 
Best Regards,
Alexey 'Alexxy' Shvetsov
Petersburg Nuclear Physics Institute, Russia
Department of Molecular and Radiation Biophysics
Gentoo Team Ru
Gentoo Linux Dev
mailto:alexxyum at gmail.com
mailto:alexxy at gentoo.org
mailto:alexxy at omrb.pnpi.spb.ru