[gmx-developers] mdp option names

[Szilárd Páll]

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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