Hmmm, that is not normal. I will have to have a look. Regards,
Edward On 17 June 2011 16:37, Sébastien Morin <[email protected]> wrote: > Hi Ed, > > I am currently looking into this and just realized that the system tests > suite still passes without failure, although the option 'exp' is not valid > anymore for function 'relax_fit.select_model()'... > > Any idea why the test does not fail yet (since I kind of deactivated the > option 'exp' and replaced it with 'exp_2param_neg')..? > > Cheers, > > > Séb :) > > > On 11-06-17 4:14 PM, Edward d'Auvergne wrote: >> >> 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 > > -- > 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
