This combination has unfortunately not been used in the GUI yet :S
The closest you have is bmrb.citation. Maybe you should check out
that user function for ideas.
Regards,
Edward
On 8 May 2014 14:04, Troels Emtekær Linnet <tlin...@nmr-relax.com> wrote:
> 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 <edw...@nmr-relax.com>:
>> 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 <tlin...@nmr-relax.com> 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 <edw...@nmr-relax.com>:
>>>> 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 <edw...@nmr-relax.com> 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 <tlin...@nmr-relax.com> wrote:
>>>>>> Do you know, if the colors can be specified?
>>>>>>
>>>>>>
>>>>>>
>>>>>> 2014-05-08 11:53 GMT+02:00 Edward d'Auvergne <edw...@nmr-relax.com>:
>>>>>>> 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
>>>>>>> <no-reply.invalid-addr...@gna.org> 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)
>>>>>>>>
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