Oh, ok, it's a bug. If I type at the python prompt: >>> if 'exp_2param_inv_neg': ... print "a" ...
it will always print 'a'. A string always evaluates true. Therefore the bug is in the lines: if model == 'exp_2param' or 'exp_2param_neg' or 'exp_2param_inv' or 'exp_2param_inv_neg': and the elif following. The last three is evaluating a string, and does not involve the model variable. You could instead put all strings into a list, and ask 'if model in [...]:' to get the correct behaviour. Regards, Edward On 17 June 2011 17:06, Edward d'Auvergne <[email protected]> wrote: > 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
