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, <tlinnet@xxxxxxxxxxxxx> 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 relax-commits@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-commits