Ok, so I'll start moving things around in your branch. Regards,
Edward On 8 December 2014 at 15:37, Troels Emtekær Linnet <tlin...@nmr-relax.com> wrote: > That sound good ! > > 2014-12-08 15:34 GMT+01:00 Edward d'Auvergne <edw...@nmr-relax.com>: >> >> Hi, >> >> I wouldn't bother with the matplotlib data storage. If you like, I >> could give this 10 minutes of work on the nmrglue branch and have the >> Base64 string in XML storage fixed. The system test is in place >> already to implement this, and I know exactly what needs to be done, >> so it won't take long. Then we can keep the numpy format as is. I'd >> probably restore some of your original ideas and have all data in >> cdp.nmrglue_data which a dictionary with >> data_store.data_classes.Element instances as its elements, and then >> write to_xml() and from_xml() methods to handle the numpy data as >> Base64 and all other structures are passed to the Element base class >> methods. >> >> Regards, >> >> Edward >> >> >> >> >> On 8 December 2014 at 15:19, Troels Emtekær Linnet >> <tlin...@nmr-relax.com> wrote: >> > 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 <edw...@nmr-relax.com>: >> >> >> >> 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 >> > >> > > > _______________________________________________ relax (http://www.nmr-relax.com) This is the relax-devel mailing list relax-devel@gna.org 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
