Re: r23735 - /branches/disp_spin_speed/target_functions/relax_disp.py -- June 10, 2014 - 12:09

You are Correct !!!

The final version is:
pA_arr = pA*self.spins_a

The "trick" was to make a numpy multi dimensional spin array in the
__init__ function of the class.

That is filled with 1.0 where there are dispersion points.

This array essential replace the spin looping!

Best
Troels




2014-06-10 11:56 GMT+02:00 Edward d'Auvergne <edward@xxxxxxxxxxxxx>:
> Hi Troels,
>
> From the dispersion equations, to me it looks like that you can keep
> pA as a single value.  Why have you converted it to an array
> structure?  You will have no problems as you can multiply any numpy
> array with a single float.  This should be the same for all model
> parameters, excluding dw and R20.  If you can use single values, that
> should be much quicker for the target functions.
>
> Regards,
>
> Edward
>
>
>
> On 8 June 2014 19:48,  <tlinnet@xxxxxxxxxxxxx> wrote:
> > Author: tlinnet
> > Date: Sun Jun  8 19:48:31 2014
> > New Revision: 23735
> >
> > URL: http://svn.gna.org/viewcvs/relax?rev=23735&view=rev
> > Log:
> > Important fix for the creation of the multi dimensional pA numpy array.
> >
> > It should be created as numpy.zeros([ei][si][mi][oi]) instead of 
> > numpy.ones([ei][si][mi][oi]).
> >
> > This allows for rapid testing of all dimensions with np.allclose(pA, 
> > numpy.ones(dw.shape)).
> > pA can have missing filled out values, when the number of dispersion 
> > points are different
> > per spectrometer frequency.
> >
> > Task #7807 (https://gna.org/task/index.php?7807): Speed-up of dispersion 
> > models for Clustered analysis.
> >
> > Modified:
> >     branches/disp_spin_speed/target_functions/relax_disp.py
> >
> > Modified: branches/disp_spin_speed/target_functions/relax_disp.py
> > URL: 
> > http://svn.gna.org/viewcvs/relax/branches/disp_spin_speed/target_functions/relax_disp.py?rev=23735&r1=23734&r2=23735&view=diff
> > ==============================================================================
> > --- branches/disp_spin_speed/target_functions/relax_disp.py     (original)
> > +++ branches/disp_spin_speed/target_functions/relax_disp.py     Sun Jun  8 
> > 19:48:31 2014
> > @@ -411,7 +411,7 @@
> >              # The number of disp point can change per spectrometer, so we 
> > make the maximum size.
> >              self.R20A_a = np.ones(back_calc_shape + 
> > [self.max_num_disp_points])
> >              self.R20B_a = np.ones(back_calc_shape + 
> > [self.max_num_disp_points])
> > -            self.pA_a = np.ones(back_calc_shape + 
> > [self.max_num_disp_points])
> > +            self.pA_a = np.zeros(back_calc_shape + 
> > [self.max_num_disp_points])
> >              self.dw_frq_a = np.ones(back_calc_shape + 
> > [self.max_num_disp_points])
> >              self.kex_a = np.ones(back_calc_shape + 
> > [self.max_num_disp_points])
> >              self.cpmg_frqs_a = np.ones(back_calc_shape + 
> > [self.max_num_disp_points])
> >
> >
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