If you have been following the relax-commits mailing list
(https://mail.gna.org/public/relax-commits/), you may have noticed
that a large restructuring of the core of relax has occurred. These
changes are so extensive that, once merged, I plan on incrementing the
major version number to 2.0 and releasing relax 2.0.0. It is also
about time that a new major version was released, as the last change -
the creation of the 1.3 line - occurred 6 years ago (see
https://mail.gna.org/public/relax-devel/2006-10/msg00053.html).
To change to the 2.0 development cycle, I will copy the 1.3
development line to the 'trunk' line. Rather than copying the main
development line to '2.0', basing all development on the 'trunk' line
will allow for better development branch management. In the future
when a major or minor version increment occurs, the 'trunk' line will
be copied or tagged as the old major+minro version number to allow bug
fixes and other maintenance of the old version to occur.
The large restructuring of relax has been within the
branches/uf_redesign branch. The branch was originally planned to be
for redesigning how the user functions are defined - including
shifting all the user functions into the 'user_functions' directory
and converting them into abstract definitions used to automatically
generate the user functions objects for the prompt and script UI, the
user function wizard windows and pages for the GUI, and the user
function descriptions in the user manual. In addition to this very
deep change, other major changes include:
- Improvement of the help system in the prompt UI mode. This is now
automatically generated when called by the user. This includes the
__repr__() print out for the automatically generated objects, the user
function class help system, and the user function help itself. The
formatting has been improved with bold font used for the section
titles and the keyword arguments.
- The analysis specific API of the specific_fns directory has been
redesigned to extensively use the parameter list objects. Many API
base methods will now automatically work with the parameter list
object, removing the need for a analysis specific implementation.
- The GUI test suite has been significantly expanded. The system test
relax scripts can now be used as GUI tests - the user functions are
executed through the self._execute_uf() method which allows execution
within all UIs, testing out the different code paths.
- The specific and GUI tests can now be executed by group. For
example all the model-free system tests can be run with '$ relax -s
Mf'. This is very useful for relax development.
- The XML formatted results and save files has been redesigned (it has
improved, is more accurate, is easier for users to read in Python
version 2.7.3 and above, and contains more metadata) and is now at
version 2.
- The print outs of spin specific data has improved with the addition
of an automatic column width algorithm.
- The addition of a new concept called data pipe bundles - related
data pipes can now be grouped together into bundles. For example in
the GUI, each analysis tab is associated with a bundle. And in the
dauvergne_protocol model-free auto-analysis, all the internally
generated data pipes are grouped together in the same bundle.
- Improved BMRB support. In the GUI the 'File->Export for BMRB
deposition' menu has been added which opens a special BMRB export
window. In addition more metadata is now read from the NMR-STAR files
into the relax data store, and the bmrb.display user function now
works.
- Improvements throughout the GUI.
There are many other changes which will be listed in the CHANGES file.
If you have any questions about the branches or development in the
new subversion repository layout, please don't hesitate to ask.
Regards,
Edward
relax development changes and the relax 2.0 line.