Ok, running the following works fine: $ ./relax test_suite/system_tests/scripts/relax_fit.py
but I am not sure why! Need to look into it more. Regards, Edward On 17 June 2011 16:49, Edward d'Auvergne <[email protected]> wrote: > 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
