relax SVN archive

Updated the frame_order_simulate.py script for simulating frame order matrix elements.

The MODEL variable has been added in preparation for supporting all model types, and this is now
added to the file name. The Grace header is now also being automatically generated.

Added some old relax scripts for both simulating and predicting the frame order matrix elements.

These were used for the initial implementation of the pseudo-ellipse frame order model back in July
2010. The scripts will be extended for all frame order models. The simulated values could then be
used in unit tests of the frame order matrix code in lib.frame_order.

Small indexing fixes for the dispersion chapter of the relax manual.

Replaced the table in the frame_order.permute_axes user function.

The original table was an old and incorrect version. This has been replaced by the correct
permutation table.

Updated the description of the frame_order.permute_axes user function.

This now includes the isotopic cone.

The pivot point can now be excluded from the grid search in the frame order auto-analysis.

If the initial pivot point is known to be reasonable, then it may be possible to skip it in the grid
search for the rotor frame order model. This can lead to a speed up of the analysis and can help
with stability. The pivot_search argument has been added to the auto-analysis
Optimisation.add_grid() method to enable this. The get_grid_pivot_search() method has also been
added to allow the auto-analysis to query this and turn it off if desired.

The minimise.execute user function skip_preset flag is now False in the frame order auto-analysis.

This is for the main model optimisation. Without this flag set, the grid search for the pivot point
position for the rotor model was being skipped at the first zoom level.

Redesigned the optimisation steps for the frame order auto-analysis.

The code has been significantly simplified as the optimisation for the PCS subset and full data set
was the same. The code duplication has been eliminated by combining it into the new optimisation()
method. The check for the PCS subset has also been expanded so that it is skipped if the subset
data pipe is not supplied, even if an optimisation object for the subset has been (this should
prevent strange errors when the auto-analysis is incorrectly used).

A side effect of this code merger is that the zooming grid search has now been activated for the
full PCS data set. This is of great benefit when a PCS subset is not being used.

Missing import.

The data pipe containing a PCS subset is now optional in the frame order auto-analysis.

This is for systems which have so little data that a subset makes no sense.