This is a major bug fix release - all model-free users of relax
version 1.3.6 must upgrade to this version. The fatal bug is that the
prolate diffusion tensor when initialised with Da set to zero will be
converted to an oblate tensor. Other bugs fixed include support for
volume integration together with replicated spectra, the scipy
dependency now bing optional, 32-bit GNU/Linux test suite fixes, and
better support for the reading of old version 1.2.x results files. An
additional feature is that the relax packages/modules can now be
imported and used outside of relax.
The new relax versions can be downloaded from either
http://nmr-relax.com/download.html or http://download.gna.org/relax/.
If binary distributions are not yet available for your platform and
you manage to compile the binary modules, please consider contributing
these to the relax project (described in section 3.6 of the relax
manual).
The full list of changes is:
Features:
* Shifted the relax installation path variable from __main__
into the status singleton object, allowing relax modules to be
imported outside of relax.
* Shifted the global relax debug flag from __main__.debug to
the relax status singleton, allowing the flag to be defined even when
imported from outside of relax.
Changes:
* Speed up of the relaxation curve-fitting system tests.
* The sample_scripts/full_analysis.py script has been renamed
to sample_scripts/dauvergne_protocol.py.
* Improvements to the test suite final print out with a table
of skipped tests.
* The data pipe system test is avoiding the frame order data
pipe, allowing the test to pass without scipy installed.
* The alignment tensor system test now uses the N-state model
rather than frame order so it is always tested.
* The frame order system and unit tests are skipped if scipy
is not installed.
* The frame order analysis is disabled if scipy is not installed.
* The data pipe generic code now uses dep_check to see if the
relaxation curve-fitting is available.
* The system tests now use the RelaxTestLoader to allow tests
to be skipped.
* The unit vector system tests using scientific python are now
being skipped if the package is not installed.
* The structure system tests involving scientific python are
now skipped if the package is not installed.
* The RelaxTestLoader has been added as a replacement for
unittest.TestLoader to handle the skipping of tests when optional
Python packages are not installed.
* Shifted the status singleton instantiation to the import
level in all modules, saving execution time.
* Big code cleanups in unit_test_runner.py
Bugfixes:
* Peak intensity errors can now be calculated when using
volume integration and replicated spectra (bug #17457,
https://gna.org/bugs/?17457).
* Failure of the prolate diffusion tensor in model-free
analysis - if the tensor is initialised with Da = 0, the tensor is
converted to being oblate. This was introduced in relax version
1.3.6.
* relax can now operate without scipy being installed.
* Updated four model-free optimisation system tests to pass
under 32-bit Linux.
* Made the N_state_model.test_pcs_fit_zero_pos system test
less stringent so it passes on 32-bit Linux.
* The model_free _model_setup() method should handle no
model-free model being set when reading relax 1.2 results files (bug
#17417, https://gna.org/bugs/?17417).
relax version 1.3.7.