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relax version 1.2.5.

Item posted by Edward d Auvergne <bugman> on Thu 20 Jul 2006 06:49:06 AM UTC.

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)

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