This is mainly a bugfix release. A large number of bugs have been
eliminated including bug #5977, bug #6288, bug #6383, bug #5806, bug
#6384, bug #6388, bug #6389, and bug #5746. These are described in
more detail below. To fix a few of these bugs large disruptive
changes were required. This included the change of the local tm
parameter name from 'tm' to 'local_tm' and the simplification of the
model-free model_statistics() function and modification of the
model-free calculate() function. Therefore regressions and new bugs
may appear in this release, most likely when the local tm parameter is
encountered or during model selection.
The full list of changes is:
Features:
* The data analysis chapter has been split into four: The
NOE, relaxation curve-fitting, model-free, and reduced spectral
density mapping chapters.
* A section called the 'The core design of relax' has been
added to the the development chapter of the manual.
* The 'Values, gradients, and Hessians' chapter of the manual
is now complete. These are all the equations used during
optimisation.
* The Hessian kite diagram and the gradient construction
diagram have been added to the 'Values, gradients, and Hessians'
chapter of the manual.
Changes:
* The distribution archives now unpack to the directory
'relax-x.x.x' rather than just 'relax', where x.x.x is the version
number.
* All chapters of the manual have been edited and proofed.
* The Sparky and XEasy peak intensity reading functions have
been split to allow the easy addition of new peak intensity file
types.
* Test of AIC model selection between diffusion tensors added
to the test suite. (To catch bug #5746)
* Changing of the local tm parameter name of 'tm' to
'local_tm' to distinguish it from the global tumbling time 'tm'.
(Preparation for fixing bug #6384)
Bugfixes:
* Fix of bug where self.relax.data.select_sim was treated as a
list. (bug #5977)
* The value.copy() function now handles the value of None. (bug #6288)
* The global flag is now set by the relax_data.delete()
function. (bug #6383)
* The model-free model_statistics() function now tests for the
presence of relaxation data. (bug #5806)
* Sorting of global from local parameters in
'generic_fns/value.py' simplified and fixed by changing the parameter
name 'tm' to 'local_tm'. (bug #6384)
* Model-free parameters now set in the OpenDX mapping test of
the test-suite. (bug #6388)
* Failure of model elimination because of a 'local_tm' and
'tm' mix up. (bug #6389)
* Modification of the model-free calculate() function and
elimination of the 'combined' flag from the self.model_statistics()
function. (bug #5746)
relax version 1.2.5.