That looks reasonable. Looking at the other target functions, this
notation looks good. The reason for this essential complexity is
simply to handle clustering and multi-field data at the same time.
The R20A parameter (which should be R20 in the model, I would assume)
consists of n*m elements, where n is the number of spins and m is the
number of magnetic field strengths. The dw parameter is measured in
ppm and has m elements. And there is only one {pA, pB, k_AB, kex, kB,
kC, tex} parameter per target function call - or spin cluster.
Regards,
Edward
On 2 September 2013 16:56, Troels Emtekær Linnet <[email protected]> wrote:
> Is this the right way to unpack the parameters?
>
> # Unpack the parameter values.
> R20A = params[:self.end_index[0]]
> dw = params[self.end_index[0]:self.end_index[1]]
> kA = params[self.end_index[1]]
>
> I have a little hard time to figure out how this is working.
>
> Best
> Troels
>
>
>
> Troels Emtekær Linnet
>
>
> 2013/9/2 Edward d'Auvergne <[email protected]>
>>
>> It should be fine, as this parameter is not used in any other model.
>> I have converted k_AB to kex and pA in all cases. If there are
>> problems, they can be fixed as they arise. You will find that
>> parameter present in other modules of specific_analyses.relax_disp,
>> and will probably find it missing in a number of places. This is
>> where a system test will be useful.
>>
>> Regards,
>>
>> Edward
>>
>> On 2 September 2013 16:12, Troels Emtekær Linnet <[email protected]>
>> wrote:
>> > So I change ka to kA in specific_analysis\relax_disp\api.py
>> >
>> > Do you know if this will make conflicts with other system tests?
>> >
>> > Best
>> >
>> >
>> > Troels Emtekær Linnet
>> >
>> >
>> > 2013/9/2 Edward d'Auvergne <[email protected]>
>> >>
>> >> Hi,
>> >>
>> >> Maybe it would be better to change everything to kA? In the
>> >> lib.dispersion code, I even call this parameter k_AB. In the manual,
>> >> I have used kAB, where AB are subscripted. So for consistency, I
>> >> think we should change everything everywhere! Maybe the best would be
>> >> the k_AB parameter in the code? The reverse rate would then be called
>> >> k_BA. This would be confused with the kex,B = k_BA + k_AB rate, or kB
>> >> ~= kex,B, but if kB was used like kA is, then this would be a mess.
>> >> What do you think?
>> >>
>> >> Regards,
>> >>
>> >> Edward
>> >>
>> >>
>> >>
>> >> On 2 September 2013 15:16, Troels E. Linnet
>> >> <[email protected]> wrote:
>> >> > Follow-up Comment #15, sr #3071 (project relax):
>> >> >
>> >> > Renamed kA parameter to ka, to keep to already established parameter
>> >> > naming in
>> >> > relax.
>> >> >
>> >> > Patch applied.
>> >> >
>> >> > (file #18829)
>> >> > _______________________________________________________
>> >> >
>> >> > Additional Item Attachment:
>> >> >
>> >> > File name:
>> >> > 0001-Renamed-kA-parameter-to-ka-to-use-the-same-parameter.patch
>> >> > Size:9 KB
>> >> >
>> >> >
>> >> > _______________________________________________________
>> >> >
>> >> > Reply to this item at:
>> >> >
>> >> > <http://gna.org/support/?3071>
>> >> >
>> >> > _______________________________________________
>> >> > Message sent via/by Gna!
>> >> > http://gna.org/
>> >> >
>> >> >
>> >> > _______________________________________________
>> >> > relax (http://www.nmr-relax.com)
>> >> >
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>> >
>
>
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