Yeah, because you need to accept a list of lists, or just a list. 2014-05-08 14:01 GMT+02:00 Edward d'Auvergne <[email protected]>: > Hi, > > For generating multiple point files (data and the .general files), you > can simply modify the Map.__init__() method in pipe_control.opendx. > That should be trivial. Getting the user function interface correct > is the hard part. > > Regards, > > Edward > > > > On 8 May 2014 13:57, Troels Emtekær Linnet <[email protected]> wrote: >> Hi Edward. >> >> I can make more points by: >> >> cat CR72_point_1_N | awk '{print $1-0.5, $2+1, $3, 1}' >> CR72_point_1_N >> sed -i "s/points = 1/points = 2/g" CR72_point_1_N.general >> >> That will be my start >> >> Best >> Troels >> >> >> 2014-05-08 13:30 GMT+02:00 Edward d'Auvergne <[email protected]>: >>> Hi Troels, >>> >>> Before making any changes to the OpenDX program, if you do plan to do >>> this, please discuss it on the mailing list first. I have a lot of >>> experience with OpenDX and how to handle multiple points, and I also >>> know how to modify the lib.software.opendx package code in the best >>> and simplest way for this support. It would come down to two steps. >>> The first would be to shift the 'Glyph' page group into its own >>> function. Then to loop over each point, calling that function to add >>> one tab to the program per point. This way you don't have to deal >>> with dynamic element layout and dynamic connections. The second step, >>> collecting them together, will be more difficult. But, anyway, please >>> discuss any changes before making them. >>> >>> Cheers, >>> >>> Edward >>> >>> >>> >>> On 8 May 2014 12:04, Edward d'Auvergne <[email protected]> wrote: >>>> Hmmm, good question. Should this be hardcoded, or would you like to >>>> have this as a user function argument? The GUI will be more >>>> difficult. We could have the fixed set of colours listed by OpenDX >>>> (see the 'color' input of the 'Color' element in the 'Glyph' tab of >>>> the relax maps). Or we could use an RGB list. If you have both one >>>> point or a list of points, then the GUI construction will be more >>>> challenging. Maybe just defaulting to the OpenDX colours in the order >>>> in OpenDX is best - the user can change these colours later in the >>>> OpenDX program by editing the 'Color' elements. >>>> >>>> Note that the hardest part will be to create an OpenDX program in text >>>> form which has variable number of glyphs. You should first create an >>>> OpenDX program with 2 points by modifying one from dx.map, and seeing >>>> what is involved. >>>> >>>> Regards, >>>> >>>> Edward >>>> >>>> >>>> >>>> On 8 May 2014 11:54, Troels Emtekær Linnet <[email protected]> wrote: >>>>> Do you know, if the colors can be specified? >>>>> >>>>> >>>>> >>>>> 2014-05-08 11:53 GMT+02:00 Edward d'Auvergne <[email protected]>: >>>>>> This is reasonable. You should create a system test before >>>>>> implementing anything though. And the original [x, y, x] point should >>>>>> be accepted as well as lists of points. >>>>>> >>>>>> Regards, >>>>>> >>>>>> Edward >>>>>> >>>>>> >>>>>> >>>>>> On 8 May 2014 11:50, Troels E. Linnet <[email protected]> >>>>>> wrote: >>>>>>> URL: >>>>>>> <http://gna.org/task/?7791> >>>>>>> >>>>>>> Summary: the dx.map should accept a list of list with >>>>>>> values >>>>>>> for points. >>>>>>> Project: relax >>>>>>> Submitted by: tlinnet >>>>>>> Submitted on: Thu 08 May 2014 09:50:07 AM UTC >>>>>>> Should Start On: Thu 08 May 2014 12:00:00 AM UTC >>>>>>> Should be Finished on: Fri 09 May 2014 12:00:00 AM UTC >>>>>>> Category: relax's source code >>>>>>> Priority: 7 - High >>>>>>> Status: In Progress >>>>>>> Percent Complete: 0% >>>>>>> Assigned to: tlinnet >>>>>>> Open/Closed: Open >>>>>>> Discussion Lock: Any >>>>>>> Effort: 0.00 >>>>>>> >>>>>>> _______________________________________________________ >>>>>>> >>>>>>> Details: >>>>>>> >>>>>>> The dx.map can accept a point [x, y, x] >>>>>>> to map on the chi2 surface. >>>>>>> >>>>>>> dx.map(params=dx_params, map_type='Iso3D', spin_id=cur_spin_id, >>>>>>> inc=ds.dx_inc, >>>>>>> lower=None, upper=None, axis_incs=10, file_prefix=file_name_map, >>>>>>> dir=ds.resdir, point=dx_set_val, point_file=file_name_point, remap=None) >>>>>>> >>>>>>> This should be expanded to: >>>>>>> [[x1, y1, z1], [x2, y2, z2]] >>>>>>> >>>>>>> This is to allow, that one can have dynamic parameters points, that >>>>>>> showed how >>>>>>> data is generated, and a point which shows which point space was >>>>>>> minimised to. >>>>>>> >>>>>>> >>>>>>> >>>>>>> >>>>>>> _______________________________________________________ >>>>>>> >>>>>>> Reply to this item at: >>>>>>> >>>>>>> <http://gna.org/task/?7791> >>>>>>> >>>>>>> _______________________________________________ >>>>>>> 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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