Re: Implement handles for nmrglue in relax -- November 27, 2014 - 11:55

Hi Edward.

To:
test_suite/shared_data/dispersion/repeated_analysis/SOD1/cpmg_disp_sod1d90a_060521/cpmg_disp_sod1d90a_060521_normal.fid/ft2_data

I will add the corresponding .ft2 files. To limit size use, I will add just
very few .ft2 files.

I will add wrapper functions which will:
- read a ft2 file
- read a range of ft2 files according to a glob of file names
- plot the spectrum

manipulate the numpy arrray, to certain functions.

Plotting in matplotlib.

Best
Troels




Troels Emtekær Linnet

2014-11-27 11:33 GMT+01:00 Edward d'Auvergne <edward@xxxxxxxxxxxxx>:

> Hi Troels,
>
> This is no problem.  Just create the branch.  But before adding code,
> we should discuss the design.  This has two benefits - it will be much
> simpler for you in the long run, and it would avoid any redesigns if
> the first attempt doesn't fit into the relax infrastructure well.
> Could you describe nmrglue, including links, and what you'd like to do
> with it?  Would you like to interact with the program at runtime, or
> simply read its output?  Would you like to create input files?
>
> Cheers,
>
> Edward
>
>
>
> On 27 November 2014 at 11:01, Troels Emtekær Linnet <tlinnet@xxxxxxxxx>
> wrote:
> > Dear Edward.
> >
> > I am about to setup a new test branch for using nmrglue.
> >
> > I would need to compare all intensities in a long range of spectra.
> >
> > I will setup a new branch by:
> > http://wiki.nmr-relax.com/Git_branch_creation
> >
> > I already have some test code, which is working.
> >
> > I am a little unsure where this will be going.
> >
> > But essentially, I would like to write some wrapper functions to nmrglue,
> > which can be handsome.
> >
> > Best
> > Troels Emtekær Linnet
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