Hi, Well, the target_functions.relax_disp and lib.dispersion code make assumptions as to how the data they receive will look like. If this is violated, then it will be random how different code paths fail. In the numeric models, we use a special matrix_exponential() function that I wrote, which itself calls numpy.linalg.eig(). The eig() function is where the failure occurs. This function is not used in the analytic models, so the same failure cannot be observed.
The best approach in designing the interface between the user and the functional code is to perform comprehensive checks of what the user has supplied. If things are missing or incorrect, raising a RelaxError is the best way to give feedback to the user. Then we make sure that we package the data up for sending to the target functions only when all required data is supplied. Then the target functions will always receive the data in the correct format. So the idea is to block this code path - the optimisation - until everything is as we expect. The only problem with the dispersion analysis is that I never had the time to add fully comprehensive checking. Therefore we can add checks as users encounter and report problems. Regards, Edward On 19 May 2014 12:41, Troels Emtekær Linnet <[email protected]> wrote: > Hi Ed. > > That sounds fine. > > But what troubles me, is that the methods differ. > > Why can the numeric models not handle this? > > This sets off an alarm for me, showing that something is not consistent > and designed correct. > > Best > Troels > > > 2014-05-19 9:53 GMT+02:00 Edward d'Auvergne <[email protected]>: >> Hi Troels, >> >> There are two ways to solve this bug: >> >> 1) Have the relaxation dispersion code which assembles the data from >> the current data pipe into the form required for the target functions >> handle the problem. >> >> 2) Have relax give RelaxErrors preventing the user from doing anything. >> >> Number 1) is by far the most difficult! The reason is because there >> are an incredible number of ways users can input data. The number of >> data combinations is huge. Number 2) would be much easier - simply >> present to the user: >> >> RelaxError: Two magnetic fields detected but data only present for one. >> >> This could be a single function added to >> specific_analyses.relax_disp.checks which is called at the start of >> the minimise() API method (and any other user functions that require >> it). As users discover other invalid data combinations - which they >> most definitely will - then we just add more and more check_*() >> functions to raise RelaxErrors. This is what happens in all the other >> specific analyses. Rather than handling all possible ways a user can >> fit data into relax, which would require huge amounts of complex code, >> we simply raise RelaxErrors telling the user what is wrong with their >> data input. This involves only a few 10 line max check_*() functions. >> In this case, the user can then decide to delete the metadata, not >> set it up, or load the required data. I would highly recommend this >> simple solution. >> >> Regards, >> >> Edward >> >> >> >> >> >> On 18 May 2014 22:41, Troels E. Linnet <[email protected]> >> wrote: >>> Follow-up Comment #5, bug #22017 (project relax): >>> >>> This bug persists, since it will work when: >>> >>> model_create = MODEL_NS_CPMG_2SITE_EXPANDED >>> model_create = MODEL_CR72 >>> >>> Somehow these models: >>> >>> model_create = MODEL_NS_CPMG_2SITE_3D >>> model_create = MODEL_NS_CPMG_2SITE_3D_FULL >>> model_create = MODEL_NS_CPMG_2SITE_STAR >>> model_create = MODEL_NS_CPMG_2SITE_STAR_FULL >>> >>> will fail to produce the data. >>> >>> The point of fails, is before the R2eff values have been created for the >>> other >>> timepoint. >>> But it should not be necessary. >>> >>> _______________________________________________________ >>> >>> Reply to this item at: >>> >>> <http://gna.org/bugs/?22017> >>> >>> _______________________________________________ >>> Message sent via/by Gna! >>> http://gna.org/ >>> _______________________________________________ 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
