Re: r14476 - /branches/inversion-recovery/specific_fns/relax_fit.py -- August 27, 2011 - 12:54

Hi Ed,

Thanks for the link.

I have made some nice progress, I think, during the last week. However, 
I really feel I am reaching my limits, as my programming knowledge is 
quite rudimentary and C/C++ is, for me, very difficult.

Would you like to give it a try, or simply indicate me where you think I 
should make the next changes. There are many places where the code needs 
changes and I am quite lost at the moment...

It would be nice if that branch could be integrated in the main branch 
before the next big annoucement for the gui..!

Thanks !


Séb  :)


On 11-08-26 3:42 PM, Edward d'Auvergne wrote:
> Hi,
>
> I'd have a look at this:
>
> http://docs.python.org/extending/extending.html#extracting-parameters-in-extension-functions
>
> You will need to specify that the argument passed in is a string.  You
> also shouldn't treat this as an array.  The examples in that link
> should be sufficient.
>
> Regards,
>
> Edward
>
>
>
> On 26 August 2011 11:53,<sebastien.morin@xxxxxxxxx>  wrote:
> > Author: semor
> > Date: Fri Aug 26 11:53:31 2011
> > New Revision: 14476
> >
> > URL: http://svn.gna.org/viewcvs/relax?rev=14476&view=rev
> > Log:
> > A first trial at passing the "curve_type" to the C code.
> >
> > However, something is wrong, potentially in the C code (see
> > compilation warning below) as relax now complains that
> > "an integer is required" for assignment to "curve_type":
> >
> > ====
> > maths_fns/relax_fit.c: In function 'setup':
> > maths_fns/relax_fit.c:66: warning: assignment makes integer from pointer 
> > without a cast
> > ====
> >
> > Anybody, any idea ?
> >
> >
> > Modified:
> >     branches/inversion-recovery/specific_fns/relax_fit.py
> >
> > Modified: branches/inversion-recovery/specific_fns/relax_fit.py
> > URL: 
> > http://svn.gna.org/viewcvs/relax/branches/inversion-recovery/specific_fns/relax_fit.py?rev=14476&r1=14475&r2=14476&view=diff
> > ==============================================================================
> > --- branches/inversion-recovery/specific_fns/relax_fit.py (original)
> > +++ branches/inversion-recovery/specific_fns/relax_fit.py Fri Aug 26 11:53:31 
> > 2011
> > @@ -791,7 +791,7 @@
> >                  # The relaxation times.
> >                  times.append(cdp.relax_times[key])
> >
> > -            setup(num_params=len(spin.params), 
> > num_times=len(cdp.relax_times), values=values, sd=errors, relax_times=times, 
> > scaling_matrix=scaling_matrix.tolist())
> > +            setup(num_params=len(spin.params), 
> > num_times=len(cdp.relax_times), curve_type=cdp.curve_type, values=values, 
> > sd=errors, relax_times=times, scaling_matrix=scaling_matrix.tolist())
> >
> >
> >              # Setup the minimisation algorithm when constraints are present.
> >
> >
> > _______________________________________________
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> >
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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
---- sebastien DOT morin AT unibas DOT ch ----