Re: r27012 - /branches/nmrglue/test_suite/system_tests/nmrglue.py -- December 08, 2014 - 15:20

Hi Edward.

I am trying to look at my data now with the plots I have in my mind.

The branch is actually in a state where I can use it.

The only trouble I have, is the storing of the numpy array.

I am actually not planning on saving the state, but will continuously just
read from the original file.
But since the numpy array is saved in cdp, to get access, then storing the
state should be possible.

All plots will just be made with matplotlib after the shuffling around with
the numpy array.

Best
Troels



2014-12-08 15:14 GMT+01:00 Edward d'Auvergne <edward@xxxxxxxxxxxxx>:

> Hi Troels,
>
> > I think I will have to leave the implementation in relax.
>
> Would it take much to get the branch in a reasonable state for merging
> back?  Even if not everything is implemented?  Well, apart from
> bringing in nmrglue 0.5 when that is released.  I'm sure that in the
> future some PhD student or postdoc will appreciate and take up what
> you have already done and expand on it.  You've already put a lot of
> polish on this, so it'd be a pity to not merge it.
>
>
> > Time goes away from pursuing the analysis, and goes into rather annoying
> > stuff.
>
> With coding, it's a bit hard to know what will be quick and what will
> take a lot of time.  It's a problem I have too.
>
>
> > The idea is simple.
> > Load one or two spectrum.
> > Plot the contour, or histogram.
> > Or make a correlation plot of the two spectra.
> >
> > Store the data.
>
> Storing the data in any other format always takes more effort when
> combining data from different sources/software.  But this is pretty
> much sorted out for the nmrglue data.  You could even store the
> nmrglue data in the relax data store as a Base64 string and a new
> variable for the ndarray shape, as a shortcut.
>
>
> > Storing the axis plots is a different question.
> http://stackoverflow.com/questions/7290370/store-and-reload-matplotlib-pyplot-object
> > I cannot actually do it at the moment.
> > So essentially, it just storing a numpy array
>
> For matplotlib data, I don't think that storing these data structures
> will ever be possible to implement in a compatible way.  The reason is
> because matplotlib is too much of a moving target.  They do not have a
> stable API!  So I would never recommend that you tackle such a problem
> in this way.  That's just asking for pain ;)
>
> There is a much better alternative which would be more compatible with
> future matplotlib versions.  And that is that all the information
> required to create the matplotlib plot is stored in a pure
> data_store.data_classes.Element class container as simple variables
> (str, bool, int, float, or a list, tuple or dict of these).  This is
> similar to the GUI setting storage.  Then there could be a user
> function to recreate the plot using the currently stored settings.
> This would work much better.  And it would be orders of magnitude
> quicker to implement than working with matplotlib data structures.
>
> Regards,
>
> Edward