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[r24682] by bugman

Modified the pipe_control.minimise.grid_setup() function for when no parameters are present.

For the current version of minfx to function correctly (1.0.8), the lower, upper and inc values
should be set to [] rather than None.

2014-07-23 15:31:13 Tree
[r24681] by bugman

Converted the model-free analysis to the new grid bounds and scaling factor design.

The parameter object now registers the grid bounds and scaling factors for all of the model-free
parameters. This includes the functions rex_scaling() and rex_upper() in the
specific_analyses.model_free.parameter_object module for calculating some of these values. The base
parameter object has also been updated as that is where the diffusion parameters are defined. Here
the da_lower() and da_upper() have been defined to handle the different Da value constraints.

The specific_analyses.model_free.parameters.assemble_scaling_matrix() function has been deleted as
this is now provided by the upstream code in pipe_control.minimise. And the API methods
grid_search() and minimise() has been modified to accept the list of scaling matrices.

As the grid bounds and increments are now handled by the upstream pipe_control.minimise.grid_setup()
function, the grid_search_config(), grid_search_diff_bounds() and grid_search_spin_bounds()
functions in the specific_analyses.model_free.optimisation module were redundant and were deleted.

The new API function print_model_title() has been implemented to handle the grid search setup
printouts.

2014-07-23 15:26:56 Tree
[r24680] by bugman

Created two new model-free system tests.

These are Mf.test_m0_grid_with_grid_search and Mf.test_m0_grid_vs_m1_with_grid_search. Their aim is
to better test the grid search in a model-free analysis when parameters are preset.

2014-07-23 14:51:11 Tree
[r24679] by bugman

Updated the minfx version number to 1.0.9 in the release checklist document.

This as of yet unreleased version contains an important fix for parallelised grid searches when the
number of increments is set to one (i.e. a preset parameter).

2014-07-23 14:09:01 Tree
[r24678] by bugman

The diffusion_tensor.init user function can now set initial tensor parameter values of None.

This is to allow for the new grid search preset flag. Therefore allowing the values to be None
allows for a grid search to be performed by default.

2014-07-23 13:43:33 Tree
[r24677] by bugman

Changes to the diffusion tensor initialisation in the model-free auto-analysis.

The values of the tensor are now initialised to None. This is to allow for the new grid search
preset flag which defaults to True, setting the values to None indicates that a grid search should
be performed.

2014-07-23 13:41:03 Tree
[r24676] by bugman

Fix for the grid search setup printout when parameters are preset.

2014-07-23 12:35:06 Tree
[r24675] by bugman

Modified all calls to the parameter object _add() base class method.

These are now all spread across multiple lines, with each argument on a separate line. This is for
easier maintenance of the specific analysis parameters, as the code is now much cleaner and argument
changes will only have diffs for that argument. It is also visually easier to see all the settings
for each parameter.

2014-07-23 10:09:50 Tree
[r24674] by bugman

Converted the frame order analysis to the new grid bounds and scaling factor design.

The parameter object now registers the grid bounds and scaling factors for all of the dispersion
parameters. This includes the functions angle_upper_excluding_bound(), axis_alpha_upper(),
cone_angle_lower(), cone_angle_upper(), pivot_grid_bound(), pivot_x_lower(), pivot_x_upper(),
pivot_y_lower(), pivot_y_upper(), pivot_z_lower(), and pivot_z_upper() in the
specific_analyses.frame_order.parameter_object module for calculating some of these values.

The specific_analyses.frame_order.parameters.assemble_scaling_matrix() function has been deleted as
this is now provided by the upstream code in pipe_control.minimise. And the API methods
grid_search() and minimise() has been modified to accept the list of scaling matrices.

As the grid bounds and increments are now handled by the upstream pipe_control.minimise.grid_setup()
function, the setup and error checking code in the grid_search() API method was redundant and was
deleted.

2014-07-23 09:48:23 Tree
[r24673] by tlinnet

Initialized merge tracking via "svnmerge" with revisions "1-24671" from
svn+ssh://tlinnet@.../svn/relax/trunk

2014-07-23 09:15:46 Tree
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