Hi Troels, This appears to be the main nmrglue website http://www.nmrglue.com/ . I can see here that there is an nmrglue icon (http://www.nmrglue.com/images/nmrglue_logo.jpg). This may be useful for the relax GUI graphics for the spectrum.nmrglue_* user function menu entries and wizard pages. The wizard graphics (in the graphics/wizard directory) have a width of 200 px though. You should ask on the nmrglue forum (http://groups.google.com/group/nmrglue-discuss) about the use of such a graphic and if there is a higher resolution version.
Cheers, Edward On 27 November 2014 at 12:16, Edward d'Auvergne <edw...@nmr-relax.com> wrote: > Hi, > > This sounds good. And rather simple, the backend of the > spectrum.nmrglue_read user function could simply be the single line of > the tutorial > http://nmrglue.readthedocs.org/en/latest/tutorial.html#reading-nmr-files: > >>>> import nmrglue as ng >>>> dic,data = ng.pipe.read("test.fid") > > For the *.ft2 files, how big are they? I wonder if you can downsample > the original *.fid files so that the *.ft2 files are within 10 to 100 > kB (using the nmrPipe extract command, etc.). Anyway, just add a > system test, and we can then discuss more of the design before > implementing the nmrglue interface. From your aims, it sounds pretty > straightforward. If the number of relax spectrum.nmrglue_* user > functions expand significantly to access more of the nmrglue > functionality, maybe we can create a dedicated nmrglue user function > class later on. Anyway, we just have to make sure that relax > continues to operate smoothly when the scipy/matplotlib/nmrglue > packages are absent. > > One problem will be storage of the nmrglue data. This will probably > not fit into the relax data store, as it absolutely requires to_xml() > and from_xml() methods to allow the data to be saved and read again. > Any ideas? We could create a special class in lib.spectrum.nmrglue > which uses the singleton design pattern > (https://en.wikipedia.org/wiki/Singleton_pattern), as is used > extensively in relax. Just 'grep -i' for 'singleton'. The data > storage would then be temporary. Or, ideally, we could modify the > nmrglue data structures to be convertible to and from XML. Some ideas > should be discussed with the nmrglue authors though (which is why I > have CCed Jonathan, so he knows we are developing a simple > relax-nmrglue interface). At the moment, I don't know much about the > nmrglue designs. > > For the user functions, do you know if nmrglue has an icon that we can > use for the menus and user function wizard pages in the GUI? > > Cheers, > > Edward > > > > On 27 November 2014 at 11:54, Troels Emtekær Linnet <tlin...@gmail.com> wrote: >> 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 <edw...@nmr-relax.com>: >>> >>> 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 <tlin...@gmail.com> >>> 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 >>> > _______________________________________________ >>> > 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 >> >> _______________________________________________ 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
