relax SVN archive

Implemented the J(w) mapping analysis get_param_names() API method.

This simply returns the hardcoded list of 3 parameters of the model, and allows the
minimise.calculate user function to operate.

Converted the relaxation dispersion 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 dw_lower(), dwH_lower(), pA_lower() and i0_upper() in the
specific_analyses.relax_disp.parameter_object module for calculating some of these values.

The specific_analyses.relax_disp.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 specific_analyses.relax_disp.optimisation.grid_search_setup() function was redundant
and was deleted.

The specific_analyses.relax_disp.parameters.get_param_names() function was also modified with the
full argument added, to allow either the base parameter names or an augmented form with the
dictionary key for presenting to the user to be returned.

Importantly to allow the changes to be operational, the model_loop() API method was redesigned so
that, for the R2eff base model, the individual spins rather than spin clusters will be looped over.
This allows the specific_analyses.relax_disp.optimisation.minimise_r2eff() function to continue to
operate correctly.

Fix for the skipping of preset parameters in the grid search.

Dictionary and list type parameters are now handled correctly.

Small change to the table printed out during the minimise.grid_search setup.

Increased the amount of user feedback for the minimise.grid_search user function.

Now a comment for each parameter is included in the printed grid search setup table. This includes
if the lower or upper bounds, or both, have been supplied by the user and if a preset value has been
used instead.

Major change to the grid search user function.

The minimise.grid_search user function now accepts the skip_preset flag. When True, the grid search
will skip any parameters with a preset value. This allows the user to set parameters via the
value.set user function and then have these parameters skipped in the grid search.

The new skip_preset argument is passed into the pipe_control.minimise.grid_setup() function in the
backend. This then sets both the grid lower and upper bounds to the preset parameter value and sets
the number of increments to 1 for that parameter so that it is essentially skipped in the grid
search.

Shifted the constraints boolean argument to the end of the grid_search() function argument list.

Epydoc docstring fixes for the keyword arguments of the pipe_control.minimise module.

Changes to the minimise.grid_search user function front end.

The Boolean constraints argument has been shifted to the end, and empty lines have been removed.

Merged revisions 24521,24526-24528,24535-24536,24543,24549-24550,24562 via svnmerge from
svn+ssh://tlinnet@.../svn/relax/trunk

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r24521 | bugman | 2014-07-11 10:39:52 +0200 (Fri, 11 Jul 2014) | 6 lines

Updated the minfx version in the release checklist document to 1.0.8.

This version has not been released yet, but it will include important fixes and additions for
constrained parallelised grid searches.
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r24526 | bugman | 2014-07-11 16:19:49 +0200 (Fri, 11 Jul 2014) | 3 lines

Fix for a broken link in the development chapter of the relax manual.
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r24527 | bugman | 2014-07-11 16:25:35 +0200 (Fri, 11 Jul 2014) | 6 lines

Fixes for dead hyperlinks in the relaxation dispersion chapter of the relax manual.

The B14 model links to http://www.nmr-relax.com/api/3.2/lib.dispersion.b14-module.html were broken
as the B in B14 was capitalised.
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r24528 | bugman | 2014-07-11 16:43:26 +0200 (Fri, 11 Jul 2014) | 6 lines

Sent in the verbosity argument value to the minfx.grid.grid_split() function.

The minfx function in the next release (1.0.8) will now be more verbose, so this will help with user
feedback when running the model-free analysis on a cluster or multi-core system using MPI.
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r24535 | bugman | 2014-07-15 12:36:47 +0200 (Tue, 15 Jul 2014) | 5 lines

Created the time user function.

This is just a shortcut for printing out the output of the time.asctime() function.
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r24536 | bugman | 2014-07-15 12:38:40 +0200 (Tue, 15 Jul 2014) | 3 lines

The time user function now uses the chronometer Oxygen icon in the GUI.
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r24543 | bugman | 2014-07-16 20:34:10 +0200 (Wed, 16 Jul 2014) | 3 lines

Added the missing timing module to the relax library package __all__ list.
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r24549 | bugman | 2014-07-17 14:56:24 +0200 (Thu, 17 Jul 2014) | 5 lines

Removed the line wrapping in the epydoc parameter section of the optimisation function docstrings.

This is for the pipe_control.minimise module.
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r24550 | bugman | 2014-07-17 14:57:01 +0200 (Thu, 17 Jul 2014) | 3 lines

More docstring line wrapping removal from pipe_control.minimise.
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r24562 | bugman | 2014-07-18 10:58:56 +0200 (Fri, 18 Jul 2014) | 7 lines

Bug fix for the parameter units descriptions.

This only affects a few rare parameters. The specific analysis API parameter object units() method
was incorrectly checking if the units value is a function - it was checking the parameter conversion
factor instead.
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