relax SVN archive

Merged revisions 22530-22533 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

........
r22530 | bugman | 2014-03-26 15:57:21 +0100 (Wed, 26 Mar 2014) | 9 lines

Improvements for the log converter script.

This is for the scripted used to convert SVN messages into a format for the relax release
announcement.

The script now handles spacing better. Multi-line messages are now concatenated into a single line
using a double space between separate sentences and a single space in all other cases.
........
r22531 | bugman | 2014-03-26 16:14:18 +0100 (Wed, 26 Mar 2014) | 7 lines

Improvements for the pipe_control.mol_res_spin.generate_spin_id_unique() function.

The unique spin ID now takes into account if the molecule is named or not (for single molecules).
This allows the function to be used when dealing with the structural data rather than the molecule,
residue, and spin data structure.
........
r22532 | bugman | 2014-03-26 16:20:58 +0100 (Wed, 26 Mar 2014) | 3 lines

Copyright update.
........
r22533 | bugman | 2014-03-26 16:22:18 +0100 (Wed, 26 Mar 2014) | 6 lines

Removed the full stop from the printout of the test names in the test suite.

This allows for quicker copying and pasting of the test name when running with the --time option and
then selecting a single test to run.
........

Removed the full stop from the printout of the test names in the test suite.

This allows for quicker copying and pasting of the test name when running with the --time option and
then selecting a single test to run.

Copyright update.

Improvements for the pipe_control.mol_res_spin.generate_spin_id_unique() function.

The unique spin ID now takes into account if the molecule is named or not (for single molecules).
This allows the function to be used when dealing with the structural data rather than the molecule,
residue, and spin data structure.

Improvements for the log converter script.

This is for the scripted used to convert SVN messages into a format for the relax release
announcement.

The script now handles spacing better. Multi-line messages are now concatenated into a single line
using a double space between separate sentences and a single space in all other cases.

Shifted all of the code for calculating the frame order rotor axis into lib.frame_order.rotor_axis.

The new frame_order.rotor_axis module consists of three function for creating a unit vector or the
rotor axis using either the axis alpha angle, the two spherical angles or the three Euler angles.

Updated the chi2 value check in some of the CaM frame order system tests for the rotor model.

The chi2 value is slightly different due to truncation and conversion artifacts of the parameter set
reduction.

The frame order optimisation results unpacking function now supports the axis alpha parameter.

This is in the function specific_analyses.frame_order.optimisation.unpack_opt_results().

Optimisation is now turned on for the Frame_order.test_cam_rotor2 system test.

This is to reveal deficiencies in the handling of the new axis alpha parameter.

Fixes for the rotor axis reconstruction in the func_rotor_qrint() frame order target function.

This is for the rotor model. The axis alpha angle is now correctly converted into the rotor axis
using the CoM and pivot point.