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

[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.
-- 
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