Hi Seb, The changes are looking good. I would suggest coming up with a simple system test for the inversion recovery with some fake peak lists where the intensities are from known exponential functions you create yourself. Unless you have some real data in the group. This would be very useful to be sure that the code is fully operational and bug free, and remains that way.
Cheers, Edward On 17 June 2011 14:40, <[email protected]> wrote: > Author: semor > Date: Fri Jun 17 14:40:30 2011 > New Revision: 13103 > > URL: http://svn.gna.org/viewcvs/relax?rev=13103&view=rev > Log: > > Modified the specific function 'relax_fit.select_model()' to handle two of > the new exponential names. > > The 'exp' function now is named 'exp_2param_neg' and the 'inv' function, > 'exp_3param_inv_neg'. > > > 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=13103&r1=13102&r2=13103&view=diff > ============================================================================== > --- branches/inversion-recovery/specific_fns/relax_fit.py (original) > +++ branches/inversion-recovery/specific_fns/relax_fit.py Fri Jun 17 14:40:30 > 2011 > @@ -1,6 +1,7 @@ > ############################################################################### > # > # > # Copyright (C) 2004-2009 Edward d'Auvergne > # > +# Copyright (C) 2011 Sebastien Morin > # > # > # > # This file is part of the program relax. > # > # > # > @@ -461,10 +462,12 @@ > cdp.relax_times[spectrum_id] = time > > > - def _select_model(self, model='exp'): > + def _select_model(self, model='exp_2param_neg'): > """Function for selecting the model of the exponential curve. > > - @keyword model: The exponential curve type. Can be one of 'exp' or > 'inv'. > + @keyword model: The exponential curve type. Can be one of 8 > functions: 'exp_2param', > + 'exp_2param_neg', 'exp_2param_inv_neg', > 'exp_3param', 'exp_3param_neg', > + 'exp_3param_inv', or 'exp_3param_inv_neg'. > @type model: str > """ > > @@ -480,13 +483,13 @@ > if not exists_mol_res_spin_data(): > raise RelaxNoSequenceError > > - # Two parameter exponential fit. > - if model == 'exp': > - print("Two parameter exponential fit.") > + # Two parameter exponential decay fit. > + if model == 'exp_2param_neg': > + print("Two parameter exponential decay fit.") > params = ['Rx', 'I0'] > > # Three parameter inversion recovery fit. > - elif model == 'inv': > + elif model == 'exp_3param_inv_neg': > print("Three parameter inversion recovery fit.") > params = ['Rx', 'I0', 'Iinf'] > > > > _______________________________________________ > 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 > _______________________________________________ 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
