Re: r25521 - /branches/est_par_error/target_functions/relax_disp.py -- September 02, 2014 - 09:59

I'm guessing this commit will be reverted later.

Regards,

Edward


On 1 September 2014 23:54,  <tlinnet@xxxxxxxxxxxxx> wrote:
> Author: tlinnet
> Date: Mon Sep  1 23:54:38 2014
> New Revision: 25521
>
> URL: http://svn.gna.org/viewcvs/relax?rev=25521&view=rev
> Log:
> Inserted check in target function, that the extraction of columns are 
> correct.
>
> In systemtest: test_task_model_par_est_tsmfk01
> These errors will emerge:
>
> param: r2a_err, with err: 0.04657067, compared to MC: 0.04643541
> param: dw_err, with err: 10.43218741, compared to MC: 0.02705331
> param: k_AB_err, with err: 0.06457146, compared to MC: 0.06403129
>
> This is quite weird.
> The dw is totally wrong.
>
> Data was created with:
> k_AB': 11.0, 'dw': 5.0, 'r2a': {r20_key_1: 12.0}
> With error on R2eff on 0.1.
>
> 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/target_functions/relax_disp.py
>
> Modified: branches/est_par_error/target_functions/relax_disp.py
> URL: 
> http://svn.gna.org/viewcvs/relax/branches/est_par_error/target_functions/relax_disp.py?rev=25521&r1=25520&r2=25521&view=diff
> ==============================================================================
> --- branches/est_par_error/target_functions/relax_disp.py       (original)
> +++ branches/est_par_error/target_functions/relax_disp.py       Mon Sep  1 
> 23:54:38 2014
> @@ -2199,10 +2199,37 @@
>          self.r20a_struct[:] = multiply.outer( R20A.reshape(self.NE, 
> self.NS, self.NM), self.no_nd_ones )
>
>          # Get the Jacobian.
> -        jabobian = r2eff_TSMFK01_jacobian(r20a=self.r20a_struct, 
> dw=self.dw_struct, k_AB=k_AB, tcp=self.tau_cpmg)
> +        jacobian = r2eff_TSMFK01_jacobian(r20a=self.r20a_struct, 
> dw=self.dw_struct, k_AB=k_AB, tcp=self.tau_cpmg)
> +
> +        # Insert checks.
> +        if True:
> +            from lib.dispersion.tsmfk01 import d_f_d_r20a, d_f_d_dw, 
> d_f_d_k_AB
> +            from numpy import transpose, array, all
> +            NJ, NE, NS, NM, NO, ND = jacobian.shape
> +            for ei in range(NE):
> +                for si in range(NS):
> +                    for mi in range(NM):
> +                        for oi in range(NO):
> +                            print ei, si, mi, oi
> +                            cur_jacobian = jacobian[0:NJ:1, ei, si, mi, oi]
> +
> +                            r20a_t = self.r20a_struct[ei, si, mi, oi]
> +                            dw_t = self.dw_struct[ei, si, mi, oi]
> +                            k_AB_t = k_AB
> +                            tcp_t = self.tau_cpmg[ei, si, mi, oi]
> +
> +                            get_d_f_d_r20a = d_f_d_r20a(r20a=r20a_t, 
> dw=dw_t, k_AB=k_AB_t, tcp=tcp_t)
> +                            get_d_f_d_dw = d_f_d_dw(r20a=r20a_t, dw=dw_t, 
> k_AB=k_AB_t, tcp=tcp_t)
> +                            get_d_f_d_k_AB = d_f_d_k_AB(r20a=r20a_t, 
> dw=dw_t, k_AB=k_AB_t, tcp=tcp_t)
> +
> +                            jac_t = transpose(array( [get_d_f_d_r20a , 
> get_d_f_d_dw , get_d_f_d_k_AB] ) )
> +
> +                            #print cur_jacobian
> +                            #print jac_t
> +                            print jac_t == cur_jacobian
>
>          # Return the Jacobian.
> -        return jabobian
> +        return jacobian
>
>
>      def get_back_calc(self):
>
>
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