Trusted, Bureaucrats
4,228
edits
Changes
Jump to navigation
Jump to search
m
Switch to the {{relax developer link}} template to remove dead Gna! links.
* The J(w) mapping parameter setting documentation has been shifted into the parameter list object. This has also been updated to reflect the current design of relax.
* The consistency testing parameter setting documentation has been shifted into the parameter list object. This has also been updated to reflect the current design of relax.
* The relaxation dispersion parameter setting documentation has been shifted into the parameter list object. The documentation has also been rewritten as it originates from [https://gna.org/users/{{relax developer link|username=semor |text=Sebastien Morin] }} back in 2009 and is now very much out of date.
* Deleted the relaxation curve-fitting parameter setting documentation. This really didn't say anything.
* The N-state model parameter setting documentation has been shifted into the parameter list object.
* Created the new '-r' or '--traceback' relax command line option. If supplied, stack tracebacks will be shown for all RelaxWarnings and RelaxErrors. This allows for finer debugging control.
* Clean up of the debugging command line options. The debug flag now will cause stack tracebacks to be printed on all RelaxWarnings.
* Created the '--error-state' command line option for saving a pickled state when a RelaxError is raised. This gives greater control of a powerful feature added to relax by {{gna relax developer link|gna.org/users/username=macraild|text=Chris MacRaild}}. The pickled state can then be attached to bug reports or can be used to quickly load the state prior to failure when in the scripting UI mode.
* Reordered the debugging command line options and removed the '-r' shortcut.
* The lib.errors module is now really independent of relax - the compat module is no longer used. Instead, the Python 2 and 3 versions of the pickle module are imported using try statements.
* Fix for [https://gna.org/bugs/?22039 bug #22039, the printing out of Dpar twice by the diffusion_tensor.display user function]. The solution is given in the original bug report.
* Fix for [https://gna.org/bugs/?22041 bug #22041, the PDB atom serial number error from the structure.write_pdb user function]. The problem is that the [http://www.nmr-relax.com/manual/structure_write_pdb.html structure.write_pdb user function] preserves the atom numbering from the original structure and uses that for the atom serial number. However the atom serial number must be replaced with sequential values to produce a valid PDB file. This is fatal for any CONECT records.
* Fix for the chain-reaction failures in the test suite. This fixes [https://gna.org/bugs/?22055 bug #22055, the processor.run_queue() not cleaning up in uni_processor - chain-reaction failures in the test suite]. The fix was insanely simple, just implementing what was mentioned {{gna relax developer link|urlusername=gna.org/users/varioustoxins|text=Gary Thompson's}} FIXME comment in the run_queue() method of the uni-processor object. The queue execution code has been placed inside a 'try' statement and the queue cleaning up code in a 'finally' statement. This closes a painfully difficult to find bug that has been in relax since 2006, though only affecting relax developers.
<section end=bugfixes/>
