[gmx-developers] Possible merge of common parts for sfactor.c and nsfactor.c

Alexey Shvetsov alexxy at omrb.pnpi.spb.ru
Mon Jul 16 11:18:01 CEST 2012

Jochen Hub писал 2012-07-16 13:14:
> Am 7/16/12 9:37 AM, schrieb Alexey Shvetsov:
>> David van der Spoel писал 2012-07-16 09:51:
>>> On 2012-07-14 15:39, Alexey Shvetsov wrote:
>>>> Hi all!
>>>> There possible common parts in src/gmxlib/sfactor.c and
>>>> src/tools/nsfactor.c
>>>> src/tools/nsfactor.h (like reading sfactor.dat and nsfactor.dat 
>>>> and some
>>>> other possibilities
>>>> Are there any objections about merging this parts together?
>>> I don't think so. Obviously this can only be done in the master
>>> branch. Please take care that the scattering factors are different 
>>> for
>>> neutrons (nsfactor) and photons (how about including electrons 
>>> too?).
>>> --
>>> David van der Spoel, Ph.D., Professor of Biology
>>> Dept. of Cell & Molec. Biol., Uppsala University.
>>> Box 596, 75124 Uppsala, Sweden. Phone:    +46184714205.
>>> spoel at xray.bmc.uu.se    http://folding.bmc.uu.se
>> Yes. They are different. But we can add additional 2 fields to
>> sfactor.dat for example.
> Hi, I just fixed a bug that what introduced when sfactor.dat was
> *split* into sfactor.dat and nsfactor.dat. If you merge the two,
> please make sure that parsing the .dat files is correct, and that you
> don't introduce a similar bug again.
> Cheers,
> Jochen

Ok. Its just and idea to not duplicate common code =)

Best Regards,
Alexey 'Alexxy' Shvetsov
Petersburg Nuclear Physics Institute, NRC Kurchatov Institute, 
Gatchina, 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

More information about the gromacs.org_gmx-developers mailing list