Re: r14454 - /branches/inversion-recovery/maths_fns/relax_fit.c -- August 25, 2011 - 15:42

Hi,

I'm not sure, you might have to play around with that one a little.
I'm not sure if you would do it from the Python side or C side.

Regards,

Edward


On 25 August 2011 15:38, Sébastien Morin <sebastien.morin.1@xxxxxxxxx> wrote:
> Hi Ed,
>
> Any idea how to pass the selected model from the python part of relax to the
> C code, such that the C code uses the appropriate equation..?
>
> The function where the equation is chosen is relax_fit.select_model().
>
>
> Séb  :)
>
>
> On 11-08-25 3:35 PM, sebastien.morin@xxxxxxxxx wrote:
> > Author: semor
> > Date: Thu Aug 25 15:35:55 2011
> > New Revision: 14454
> >
> > URL: http://svn.gna.org/viewcvs/relax?rev=14454&view=rev
> > Log:
> > Added a switch in the C code for curve fitting.
> >
> > The switch will allow the use of specific equations depending on
> > the model chosen.
> >
> > However, it is still not functional...  :(
> >
> >
> > Modified:
> >     branches/inversion-recovery/maths_fns/relax_fit.c
> >
> > Modified: branches/inversion-recovery/maths_fns/relax_fit.c
> > URL:
> > http://svn.gna.org/viewcvs/relax/branches/inversion-recovery/maths_fns/relax_fit.c?rev=14454&r1=14453&r2=14454&view=diff
> >
> > ==============================================================================
> > --- branches/inversion-recovery/maths_fns/relax_fit.c (original)
> > +++ branches/inversion-recovery/maths_fns/relax_fit.c Thu Aug 25 15:35:55
> > 2011
> > @@ -124,7 +124,10 @@
> >      }
> >
> >      /* Back calculated the peak intensities */
> > -    exp_2param_neg(params, relax_times, back_calc, num_times);
> > +    if(model == exp_2param_neg)
> > +        exp_2param_neg(params, relax_times, back_calc, num_times);
> > +    if(model == exp_3param_inv_neg)
> > +        exp_3param_inv_neg(params, relax_times, back_calc, num_times);
> >
> >      /* Calculate and return the chi-squared value */
> >      return Py_BuildValue("f", chi2(values,sd,back_calc,num_times));
> > @@ -148,7 +151,11 @@
> >          return NULL;
> >
> >      /* Back calculated the peak intensities */
> > -    exp_2param_neg(params, relax_times, back_calc, num_times);
> > +    if(model == exp_2param_neg)
> > +        exp_2param_neg(params, relax_times, back_calc, num_times);
> > +    if(model == exp_3param_inv_neg)
> > +        exp_3param_inv_neg(params, relax_times, back_calc, num_times);
> > +
> >
> >      return NULL;
> >  }
> >
> >
> > _______________________________________________
> > relax (http://nmr-relax.com)
> >
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> --
> Sébastien Morin, Ph.D.
> Postdoctoral Fellow, S. Grzesiek NMR Laboratory
> Department of Structural Biology
> Biozentrum, Universität Basel
> Klingelbergstrasse 70
> 4056 Basel
> Switzerland
>
>
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