Hi Edward. Thanks for your suggestions.
I was carried away, to try to make some GUI changes. Just to see, how it worked. So, I have thought a little about the design since then. I was thinking to take advantage of the: .\pipe_control\spectrum.py read() function. I already provides a spin_id in its functions. And so the functions could be modified to create spins instead of reading the intensities. I think the easiest would be to provide another keyword to the read() function. Something like: return_model = False If then read() is called with return_model = True the checks and reading of intensities are skipped, but the spin_ids are returned. What do you think of this? Troels Emtekær Linnet 2013/8/3 Edward d'Auvergne <[email protected]> > Hi, > > It might be better to discuss the design a bit before. I've looked at > the patches and although half are ok, I think it is a little too > specific for relax. By that I mean that this idea can be generalised, > as is the design goal for most of relax. So instead of being Sparky > specific, everything should be generalised to be a 'peak list'. That > way support can be added for NMRPipe series Tab, NMRView, XEasy, Cara, > CCPN, etc. later much more easily - i.e. only the user function front > and backends need to be modified. That is how the > spectrum.read_intensities user function works. > > For the user function name itself, the best might be > spectrum.read_sequence. Though an alternative place might be under > sequence.peak_list. The first one might be more logical from the code > perspective as the backend will be in pipe_control.spectrum. But I'm > not sure for a user which would be easier to find. > > Anyway, your patches won't take much to modify. However I think > patches 0001 to 0005 should be one commit. 0006 would need a little > work. I think that *.* should be the default for the file arguments, > and then the user can select *.ser, *.xpk, *.list and *.text (for > NMRPipe, NMRView, Sparky and XEasy) to be more specific when selecting > the file. I think that the molecule should also be left unnamed if > the user does not supply a molecule name. They can always use > molecule.name later. It also needs a description and title along the > lines of the sequence.read user function, as its front end design and > its aim are similar. So the title might be "Read the molecule, > residue, and spin sequence from a peak list.". And the short title > something like "Sequence reading from peak lists.". What do you > think? > > Patch 0007* has the trailing whitespace removal problem, so it seems > like you haven't fully eliminated that issue. In this case that > whitespace should be removed, but it should be a separate trivial > patch. The code is also in the wrong place, the backend should be in > pipe_control.spectrum, and it should be modelled on the read() > function (maybe called read_sequence()). The 0008* patch is also > quite far off target. This is why it is better to discuss a design > idea on the mailing list before implementing it. With discussions, > the best solution can be found from the start. > > Cheers, > > Edward > > > > On 3 August 2013 08:56, Troels E. Linnet > <[email protected]> wrote: > > Follow-up Comment #2, sr #3044 (project relax): > > > > Initial tries for a SPARKY/NMRPipe seriesTab GUI read of spins. > > > > If these patches are ok, it would be time to establish system tests, and > I > > hope for a little guide in which files these should be written. > > > > (file #18632) > > _______________________________________________________ > > > > Additional Item Attachment: > > > > File name: sparky1.patch.tar.gz Size:4 KB > > > > > > _______________________________________________________ > > > > Reply to this item at: > > > > <http://gna.org/support/?3044> > > > > _______________________________________________ > > Message sent via/by Gna! > > http://gna.org/ > > > > > > _______________________________________________ > > relax (http://www.nmr-relax.com) > > > > This is the relax-devel mailing list > > [email protected] > > > > To unsubscribe from this list, get a password > > reminder, or change your subscription options, > > visit the list information page at > > https://mail.gna.org/listinfo/relax-devel >
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