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 <[email protected]> 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, [email protected] 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) >> >> 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 > > -- > Sébastien Morin, Ph.D. > Postdoctoral Fellow, S. Grzesiek NMR Laboratory > Department of Structural Biology > Biozentrum, Universität Basel > Klingelbergstrasse 70 > 4056 Basel > Switzerland > > > _______________________________________________ > relax (http://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://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
