relax SVN archive

More modifications of the minimise.grid_search user function backend.

The grid_bounds() function has been renamed to grid_setup(), and it now accepts and processes the
inc user function argument. The error checking code of the relaxation curve-fitting
grid_search_setup() optimisation function has been shifted into this analysis independent
grid_setup() function to shift the minimise.grid_search user function error checking out of the
specific analyses. The function now scales the parameter bounds, using the yet-to-be implemented
scaling() method of the parameter object. And the grid search increments are converted into a
per-model list of lists.

Implemented infrastructure in the grid_search user function in preparation for the zooming grid.

The grid search backend now calls the new grid_bounds() function. This takes the lower and upper
bounds as arguments, uses the specific API to determine the per-model parameter grid search bounds,
and then returns a per model list of lower and upper bounds. The specific API get_param_names() and
get_param_values() are called to obtain the current model parameter names and values, and then the
parameter names and model info are used in the new parameter object grid_lower() and grid_upper()
methods to obtain the bounds. This shifts all of the grid search bounds logic out of the specific
analyses and into the grid search backend, so it should allow the specific analysis code to be
simplified.

Modified the specific analysis parameter object grid_lower() and grid_upper() methods.

These now accept the model information from the model_loop() API method and send that into an grid
lower and upper functions. These functions will require the information to pull out the correct
spin, spin cluster, or other information from the current data pipe to determine what the bounds
should be.

Created the parameter object infrastructure for adding the grid search lower and upper bounds.

The _add() method now accepts the grid_lower and grid_upper keyword arguments, which can be either
values or functions. These are then stored in the _grid_lower and _grid_upper class dictionaries.
The public methods grid_lower() and grid_upper() have been added to return the value corresponding
to the given parameter.

Created the specific analysis API return_parameter_object() function.

This is used by the non-specific analysis code to obtain the parameter object (a singleton object).
It will allow for more direct access to the parameter information.

Merged revisions 24562 via svnmerge from
svn+ssh://bugman@.../svn/relax/trunk

........
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.
........

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.

Updated the frame order optimisation results for the CaM small angle rotor test data.

The optimisation in the frame_order.py is now of higher precision with the number of Sobol' numeric
integration points significantly increased, especially for the Monte Carlo simulations. The new
frame order representation files have been added to the repository, as well as the intermediate
state files.

Updated the frame order optimisation results for the CaM free rotor isotropic cone test data.

The optimisation in the frame_order.py is now of higher precision with the number of Sobol' numeric
integration points significantly increased, especially for the Monte Carlo simulations. The new
frame order representation files have been added to the repository, as well as the intermediate
state files.

Implemented get_param_names() and get_param_values() for the relaxation curve-fitting analysis.

These are part of the specific analysis API.