relax SVN archive

The Frame_order.test_auto_analysis system test now sets the results file compression type to bzip2.

Changed the default relax results compression type to bzip2 in the frame order auto-analysis.

This was set to no compression for speeding up some system tests, however the system tests can set
this for themselves.

Speed up of the Frame_order.test_auto_analysis system test.

After the introduction of the frame_order.distribute user function into the auto-analysis, the test
was taking far too long to complete. Now the distribution arguments are set to low values to allow
the test to pass in under a minute.

Improved control of the frame_order.distribute user function in the frame order auto-analysis.

The maximum number of rotations can now be set, and the argument for the total states for the
distribution has been shortened.

Introduced the max_rotations argument into the frame_order.distribute user function.

This is used to prevent the user function from running forever. This happens whenever a cone
opening angle or torsion angle is zero, and hence the random sampling of the rotational space will
never find rotations within the motional distribution.

Implemented the back-end of the frame_order.distribute user function.

This follows the design of the pseudo-Brownian simulation frame_order.simulate user function. The
specific_analyses.frame_order.uf.distribute() function has been created as a modified copy of the
simulate() function of the same module. This simply performs checks and assembles the data, passing
into the new lib.frame_order.simulate.uniform_distribution() function, which itself is a modified
copy of the brownian() function in the same module.

Added the frame_order.distribute user function to the auto-analysis results output.

This will allow both the pseudo-Brownian simulation and uniform distribution PDB files to be
available to the user in all results directories (excluding the intermediate results for speed).

Small modification of the frame_order.simulate user function.

The GUI file opening dialog wildcard selectors are now set to all PDB file types (plain text, bzip2
compressed, and gzip compressed).

Created the front-end of the frame_order.distribute user function.

This is a copy and modification of the frame_order.simulate user function, as the concepts are
similar.

Created a large set of system tests for implementing the frame_order.distribute user function.

This user function will be similar to frame_order.simulate. However instead of creating a PDB file
with models from a pseudo-Brownian simulation, the frame_order.distribute user function will
generate a PDB file of models forming a uniform distribution of structures covering the full frame
order motional space.

The new system tests are:

Frame_order.test_distribute_double_rotor_mode1_xz_plane_tilt
Frame_order.test_distribute_double_rotor_mode1_z_axis
Frame_order.test_distribute_double_rotor_mode2_xz_plane_tilt
Frame_order.test_distribute_double_rotor_mode2_z_axis
Frame_order.test_distribute_free_rotor_z_axis
Frame_order.test_distribute_iso_cone_z_axis
Frame_order.test_distribute_iso_cone_xz_plane_tilt
Frame_order.test_distribute_iso_cone_torsionless_z_axis
Frame_order.test_distribute_pseudo_ellipse_xz_plane_tilt
Frame_order.test_distribute_pseudo_ellipse_z_axis
Frame_order.test_distribute_pseudo_ellipse_free_rotor_z_axis
Frame_order.test_distribute_pseudo_ellipse_torsionless_z_axis
Frame_order.test_distribute_rotor_z_axis

These are aliases for the equivalent Frame_order.test_simulate_* system tests which have had the
'type' keyword argument added, defaulting to 'sim', which allows to switch between the
frame_order.simulate and frame_order.distribute user functions. The concept behind these system
tests are the same for both user functions, so the code is shared.