Hi Edward. For the Jacobian to work with minfx, the parameter vector send to the function should match 1:1 with the one to chi2 function.
Best Troels 2014-09-02 10:41 GMT+02:00 Edward d'Auvergne <[email protected]>: > 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 _______________________________________________ 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
