Hi Troels, I've now fixed the problem. It was just that your new relaxation dispersion API code was triggering a different code path that was not previously used for these unit tests. The issue was simply that the unit tests were not set up correctly - the pipe_control.mol_res_spin.metadata_update() function needed to be called to correctly set up the molecule, residue, and spin container data structures for the tests (http://www.mail-archive.com/[email protected]/msg23710.html).
Cheers, Edward On 7 October 2014 16:55, Edward d'Auvergne <[email protected]> wrote: > Hmmm, I'll have to see what your code does which causes these private > data structures to be outdated, and hence not present. These > temporary and volatile structures are created and maintained by the > pipe_control.mol_res_spin.metadata_*() functions. A change in the > specific analysis code should not trigger such a problem unless > something funky is being done with the spin containers (that should > not be done). > > Regards, > > Edward > > > On 7 October 2014 16:51, Troels Emtekær Linnet <[email protected]> wrote: >> Hi Edward. >> >> Yes, I saw the same. >> >> I did know how to fix that. >> >> I dont know why " 'MoleculeContainer' object has no attribute >> '_res_name_count'". >> >> Is it because the spins are created manually? >> >> Best >> Troels >> >> >> 2014-10-07 16:47 GMT+02:00 Edward d'Auvergne <[email protected]>: >>> >>> Hi Troels, >>> >>> I'm thinking of releasing relax 3.3.1 with all of the recent bugfixes >>> and minor improvements. There are enough changes to make this >>> worthwhile. However I can see that there is still an issue with the >>> unit tests: >>> >>> $ ./relax -u test_suite.unit_tests._pipe_control.test_value --time >>> [snip] >>> ====================================================================== >>> ERROR: test_value_set_r1_rit >>> (test_suite.unit_tests._pipe_control.test_value.Test_value) >>> Test of the pipe_control.value.set() function. >>> ---------------------------------------------------------------------- >>> The spectrum ID 'test' is now set to the R1rho-type experiment. >>> Traceback (most recent call last): >>> File >>> "/data/relax/relax-trunk/test_suite/unit_tests/_pipe_control/test_value.py", >>> line 180, in test_value_set_r1_rit >>> value.set(val=None, param='r2') >>> File "/data/relax/relax-trunk/pipe_control/value.py", line 424, in set >>> api.set_param_values(param=param, value=val, index=index, >>> spin_id=spin_id, error=error, force=force) >>> File "/data/relax/relax-trunk/specific_analyses/relax_disp/api.py", >>> line 1182, in set_param_values >>> for spin_ids in self.model_loop(): >>> File "/data/relax/relax-trunk/specific_analyses/relax_disp/api.py", >>> line 868, in model_loop >>> for spin, spin_id in spin_loop(return_id=True): >>> File "/data/relax/relax-trunk/pipe_control/mol_res_spin.py", line >>> 3808, in spin_loop >>> spin_id = generate_spin_id_unique(pipe_cont=dp, mol=mol, res=res, >>> spin=spin) >>> File "/data/relax/relax-trunk/pipe_control/mol_res_spin.py", line >>> 1497, in generate_spin_id_unique >>> if res and res.name != None and mol._res_name_count[res.name] > 1: >>> AttributeError: 'MoleculeContainer' object has no attribute >>> '_res_name_count' >>> >>> ---------------------------------------------------------------------- >>> >>> Using bisection (via svn up -rxxxxxx), I can see that this failure was >>> introduced at your commit r26161 >>> (http://article.gmane.org/gmane.science.nmr.relax.scm/23913). Once >>> this is fixed, I'll look at pushing out all the changes into relax >>> 3.3.1. Or do you have some important changes in mind that you think >>> should go into this release, rather than in relax 3.3.2? >>> >>> Cheers, >>> >>> Edward >>> >>> _______________________________________________ >>> 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
