Ah, I missed that addition. Cheers,
Edward On 30 April 2014 11:11, Troels Emtekær Linnet <[email protected]> wrote: > Hi Edward. > > This part is in systemtest: Relax_disp.test_sod1wt_t25_to_cr72 > > # Copy over values. > self.interpreter.relax_disp.parameter_copy(pipe_from=pipe_name_MODEL, > pipe_to=pipe_name_MODEL_CLUSTER) > > # Test the median values is correct > for spin, mol_name, resi, resn, spin_id in > spin_loop(full_info=True, return_id=True, skip_desel=True): > print(pA_values) > # The the median pA value returned. > self.assertEqual(median(pA_values), spin.pA) > > # The the median kex value returned. > self.assertEqual(median(kex_values), spin.kex) > > 2014-04-30 10:53 GMT+02:00 Edward d'Auvergne <[email protected]>: >> Hi Troels, >> >> I would recommend creating a new system test for this code. This part >> is not tested in the test suite, hence it is a weak point in relax >> that will probably fail again with future code changes. So having a >> system test where hardcoded values are checked will ensure that this >> part of relax is rock solid. >> >> Cheers, >> >> Edward >> >> >> >> On 30 April 2014 10:19, Edward d'Auvergne <[email protected]> wrote: >>> Ah, that was a remnant of the parameter averaging to parameter median >>> change for the clustering >>> (http://thread.gmane.org/gmane.science.nmr.relax.devel/4647/focus=4648). >>> Could you retroactively create a bug report for this? That would be >>> useful for the release notes. >>> >>> Cheers, >>> >>> Edward >>> >>> >>> >>> On 29 April 2014 19:56, <[email protected]> wrote: >>>> Author: tlinnet >>>> Date: Tue Apr 29 19:56:12 2014 >>>> New Revision: 22883 >>>> >>>> URL: http://svn.gna.org/viewcvs/relax?rev=22883&view=rev >>>> Log: >>>> Fix for the relax_disp.parameter_copy function. >>>> >>>> The median of the values was not performed properly, since 0.0 was already >>>> in the starting list of values. >>>> >>>> Modified: >>>> trunk/specific_analyses/relax_disp/parameters.py >>>> >>>> Modified: trunk/specific_analyses/relax_disp/parameters.py >>>> URL: >>>> http://svn.gna.org/viewcvs/relax/trunk/specific_analyses/relax_disp/parameters.py?rev=22883&r1=22882&r2=22883&view=diff >>>> ============================================================================== >>>> --- trunk/specific_analyses/relax_disp/parameters.py (original) >>>> +++ trunk/specific_analyses/relax_disp/parameters.py Tue Apr 29 >>>> 19:56:12 2014 >>>> @@ -162,17 +162,17 @@ >>>> for spin_ids in loop_cluster(): >>>> # Initialise some variables. >>>> model = None >>>> - pA = [0.0] >>>> - pB = [0.0] >>>> - pC = [0.0] >>>> - kex = [0.0] >>>> - kex_AB = [0.0] >>>> - kex_AC = [0.0] >>>> - kex_BC = [0.0] >>>> - k_AB = [0.0] >>>> - kB = [0.0] >>>> - kC = [0.0] >>>> - tex = [0.0] >>>> + pA = [] >>>> + pB = [] >>>> + pC = [] >>>> + kex = [] >>>> + kex_AB = [] >>>> + kex_AC = [] >>>> + kex_BC = [] >>>> + k_AB = [] >>>> + kB = [] >>>> + kC = [] >>>> + tex = [] >>>> count = 0 >>>> spins_from = [] >>>> spins_to = [] >>>> @@ -240,38 +240,38 @@ >>>> >>>> # Take median of parameters. >>>> if len(pA) > 1: >>>> - pA = [median(pA)] >>>> - print("Median pA value: %.15f" % pA[0]) >>>> + pA = median(pA) >>>> + print("Median pA value: %.15f" % pA) >>>> if len(pB) > 1: >>>> - pB = [median(pB)] >>>> - print("Median pA value: %.15f" % pA[0]) >>>> + pB = median(pB) >>>> + print("Median pB value: %.15f" % pB) >>>> if len(pC) > 1: >>>> - pC = [median(pC)] >>>> - print("Median pC value: %.15f" % pC[0]) >>>> + pC = median(pC) >>>> + print("Median pC value: %.15f" % pC) >>>> if len(kex) > 1: >>>> - kex = [median(kex)] >>>> - print("Median kex value: %.15f" % kex[0]) >>>> + kex = median(kex) >>>> + print("Median kex value: %.15f" % kex) >>>> if len(kex_AB) > 1: >>>> - kex_AB = [median(kex_AB)] >>>> - print("Median k_AB value: %.15f" % kex_AB[0]) >>>> + kex_AB = median(kex_AB) >>>> + print("Median k_AB value: %.15f" % kex_AB) >>>> if len(kex_AC) > 1: >>>> - kex_AC = [median(kex_AC)] >>>> - print("Median k_AC value: %.15f" % kex_AC[0]) >>>> + kex_AC = median(kex_AC) >>>> + print("Median k_AC value: %.15f" % kex_AC) >>>> if len(kex_BC) > 1: >>>> - kex_BC = [median(kex_BC)] >>>> - print("Median k_BC value: %.15f" % kex_BC[0]) >>>> + kex_BC = median(kex_BC) >>>> + print("Median k_BC value: %.15f" % kex_BC) >>>> if len(k_AB) > 1: >>>> - k_AB = [median(k_AB)] >>>> - print("Median k_AB value: %.15f" % k_AB[0]) >>>> + k_AB = median(k_AB) >>>> + print("Median k_AB value: %.15f" % k_AB) >>>> if len(kB) > 1: >>>> - kB = [median(kB)] >>>> - print("Median kB value: %.15f" % kB[0]) >>>> + kB = median(kB) >>>> + print("Median kB value: %.15f" % kB) >>>> if len(kC) > 1: >>>> - kC = [median(kC)] >>>> - print("Median kC value: %.15f" % kC[0]) >>>> + kC = median(kC) >>>> + print("Median kC value: %.15f" % kC) >>>> if len(tex) > 1: >>>> - tex = [median(tex)] >>>> - print("Median tex value: %.15f" % tex[0]) >>>> + tex = median(tex) >>>> + print("Median tex value: %.15f" % tex) >>>> >>>> # Loop over the spins, this time copying the parameters. >>>> for i in range(len(spin_ids)): >>>> @@ -293,28 +293,28 @@ >>>> >>>> # The median parameters. >>>> if 'pB' in spin_from.params and 'pC' not in spin_from.params: >>>> - spin_to.pA = pA[0] >>>> - spin_to.pB = pB[0] >>>> - spin_to.pC = 1.0 - pA[0] - pB[0] >>>> + spin_to.pA = pA >>>> + spin_to.pB = pB >>>> + spin_to.pC = 1.0 - pA - pB >>>> elif 'pA' in spin_from.params: >>>> - spin_to.pA = pA[0] >>>> - spin_to.pB = 1.0 - pA[0] >>>> + spin_to.pA = pA >>>> + spin_to.pB = 1.0 - pA >>>> if 'kex' in spin_from.params: >>>> - spin_to.kex = kex[0] >>>> + spin_to.kex = kex >>>> if 'kex_AB' in spin_from.params: >>>> - spin_to.kex_AB = kex_AB[0] >>>> + spin_to.kex_AB = kex_AB >>>> if 'kex_AC' in spin_from.params: >>>> - spin_to.kex_AC = kex_AC[0] >>>> + spin_to.kex_AC = kex_AC >>>> if 'kex_BC' in spin_from.params: >>>> - spin_to.kex_BC = kex_BC[0] >>>> + spin_to.kex_BC = kex_BC >>>> if 'k_AB' in spin_from.params: >>>> - spin_to.k_AB = k_AB[0] >>>> + spin_to.k_AB = k_AB >>>> if 'kB' in spin_from.params: >>>> - spin_to.kB = kB[0] >>>> + spin_to.kB = kB >>>> if 'kC' in spin_from.params: >>>> - spin_to.kC = kC[0] >>>> + spin_to.kC = kC >>>> if 'tex' in spin_from.params: >>>> - spin_to.tex = tex[0] >>>> + spin_to.tex = tex >>>> >>>> # All other spin specific parameters. >>>> for param in spin_from.params: >>>> >>>> >>>> _______________________________________________ >>>> relax (http://www.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://www.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://www.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
