Hi Troels, I just noticed a problem here. For the Jacobian (as well as the gradient and Hessian), you will need one element of the dR2eff/dr20a gradient for each R20a parameter in the model. Same for the dR2eff/ddw gradient element. You currently return a list of 3 elements, but I'm guessing that the parameter vector sent into the target function is not simply [R20a, dw, k_AB].
Regards, Edward On 2 September 2014 10:29, <[email protected]> wrote: > Author: tlinnet > Date: Tue Sep 2 10:29:46 2014 > New Revision: 25529 > > URL: http://svn.gna.org/viewcvs/relax?rev=25529&view=rev > Log: > In the lib function of TSMFK01, returned the Jacobian as list of derivatives. > This is for easier manipulation in target function. > > task #7824(https://gna.org/task/index.php?7824): Model parameter ERROR > estimation from Jacobian and Co-variance matrix of dispersion models. > > Modified: > branches/est_par_error/lib/dispersion/tsmfk01.py > > Modified: branches/est_par_error/lib/dispersion/tsmfk01.py > URL: > http://svn.gna.org/viewcvs/relax/branches/est_par_error/lib/dispersion/tsmfk01.py?rev=25529&r1=25528&r2=25529&view=diff > ============================================================================== > --- branches/est_par_error/lib/dispersion/tsmfk01.py (original) > +++ branches/est_par_error/lib/dispersion/tsmfk01.py Tue Sep 2 10:29:46 > 2014 > @@ -142,6 +142,8 @@ > @type k_AB: float > @keyword tcp: The tau_CPMG times (1 / 4.nu1). > @type tcp: numpy float array of rank [NE][NS][NM][NO][ND] > + @return: The Jacobian returned as list of derivatives. > This is for easier manipulation and possible back scaling from rad/s to > normal units in relax. > + @rtype: list of numpy arrays > """ > > # Get the partial derivatives. > @@ -149,7 +151,7 @@ > get_d_f_d_dw = d_f_d_dw(r20a=r20a, dw=dw, k_AB=k_AB, tcp=tcp) > get_d_f_d_k_AB = d_f_d_k_AB(r20a=r20a, dw=dw, k_AB=k_AB, tcp=tcp) > > - return transpose(array( [get_d_f_d_r20a , get_d_f_d_dw, get_d_f_d_k_AB] > ) ) > + return [get_d_f_d_r20a , get_d_f_d_dw, get_d_f_d_k_AB] > > > def d_f_d_r20a(r20a=None, dw=None, k_AB=None, tcp=None): > > > _______________________________________________ > relax (http://www.nmr-relax.com) > > This is the relax-commits 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-commits _______________________________________________ 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
