[gmx-developers] Matrix Output with c++ analysis framework
teemu.murtola at gmail.com
Mon Jul 20 17:33:12 CEST 2015
As Mark said, there hasn't been any need for this in the tools that
currently use the C++ framework. Quite a few different approaches are
possible, but many of them would share a common design of storing the raw
data in an AnalysisData (or a related class), and implementing the output
as a separate, reusable module like in AnalysisDataPlotModule. But it
really depends on what you exactly want to achieve.
It's impossible to design something like this up front such that it would
fit every possible use (out even the first use that someone later
imagines), so it just needs to evolve as the needs arise.
On Wed, Jul 8, 2015, 12:10 Mark Abraham <mark.j.abraham at gmail.com> wrote:
> I don't think we've thought at all about this. I don't think anyone in
> Stockholm makes much use of such things, but if there's useful things to do
> then we can talk :-)
> On Tue, Jul 7, 2015 at 6:28 PM Alexey Shvetsov <alexxy at omrb.pnpi.spb.ru>
>> Is there some kind of considered and preffered way to output matrix data
>> with new c++ api?
>> Best Regards,
>> Alexey 'Alexxy' Shvetsov, PhD
>> Department of Molecular and Radiation Biophysics
>> FSBI Petersburg Nuclear Physics Institute, NRC Kurchatov Institute,
>> Leningrad region, Gatchina, Russia
>> mailto:alexxyum at gmail.com
>> mailto:alexxy at omrb.pnpi.spb.ru
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