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 <tlinnet@xxxxxxxxx> 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 <edward@xxxxxxxxxxxxx>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 <tlinnet@xxxxxxxxx> 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 <edward@xxxxxxxxxxxxx>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 <NO-REPLY.INVALID-ADDRESS@xxxxxxx> 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) This is the relax-devel mailing list relax-devel@xxxxxxx 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