relax SVN archive

Added the noe module to the auto_analyses.__all__ list.

Added 4 system tests for the setting ellipsoidal diffusion tensor (the 4 different param sets).

Bug fix for the local_tm_models status value.

This was identified by Daniel Pérez <daniel dott perez att mol dott biol dott ethz dott ch> in the
post at https://mail.gna.org/public/relax-users/2010-03/msg00004.html (Message-id:
<3C30C4A9-75D1-4986-9CE5-0ECA364B723B@...>).

Creation of the NOE auto-analysis module.

This is a modified copy of the sample script created by Michael Bieri.

The key references are:
Start: https://mail.gna.org/public/relax-devel/2010-03/msg00051.html,
The file: https://mail.gna.org/public/relax-devel/2010-03/msg00052.html,
Details: https://mail.gna.org/public/relax-devel/2010-03/msg00054.html.

Another bug fix for the ellipsoid() function for the (Dxx, Dyy, Dzz, Dxy, Dxz, Dyz) parameter set.

The Euler angles which were in radians were being converted from deg to rad!!!

Fix for the ellipsoid() function for the new param_types == 3 (Dxx, Dyy, Dzz, Dxy, Dxz, Dyz) data.

The ordering Dx <= Dy <= Dz was not being used so the rhombicity was incorrectly calculated.

Reverted r9348 as this breaks on Mac OS X newline characters!!!! Retarded python 3.0!

The command used was:
[edau@... relax-1.3]$ svn merge -r9348:9347 .
--- Reverse-merging r9348 into '.':
U prompt/interpreter.py

.....
r9348 | bugman | 2009-08-21 10:50:08 +0200 (Fri, 21 Aug 2009) | 18 lines
Changed paths:
M /1.3/prompt/interpreter.py

The execfile statement has been replaced with a call to the exec(compile()) function.

This was done with the python 2.x to 3.x script with the commands:
2to3 -w -f exec relax .

The change is in preparation for Python 3.0, and relax still works with Python versions 2.4, 2.5,
and 2.6. The syntax has changed from:

execfile(script_file, local)

to:

exec(compile(open(script_file).read(), script_file, 'exec'), local)

Hmmm, not much of a language simplification!
.....

Reverted the temporary r11010 for testing the merging of the bieri_gui branch.

The command used was:
svn merge -r11010:r11009 .

Bug fix for the minimisation user functions.

This was introduced accidentally in r11007. The reference self._exec_info was accidentally set to
self.__exec_info.

Reverted r11004 as this, for some unknown reason, undid the changes of r11001.

The command used was:
svn merge -r11004:11003 .