r24681 - in /branches/zooming_grid_search/specific_analyses: ./ model_free/ -- July 23, 2014 - 17:26

Author: bugman
Date: Wed Jul 23 17:26:56 2014
New Revision: 24681

URL: http://svn.gna.org/viewcvs/relax?rev=24681&view=rev
Log:
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.


Modified:
    branches/zooming_grid_search/specific_analyses/model_free/api.py
    branches/zooming_grid_search/specific_analyses/model_free/optimisation.py
    
branches/zooming_grid_search/specific_analyses/model_free/parameter_object.py
    branches/zooming_grid_search/specific_analyses/model_free/parameters.py
    branches/zooming_grid_search/specific_analyses/parameter_object.py

[This mail would be too long, it was shortened to contain the URLs only.]

Modified: branches/zooming_grid_search/specific_analyses/model_free/api.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/zooming_grid_search/specific_analyses/model_free/api.py?rev=24681&r1=24680&r2=24681&view=diff

Modified: 
branches/zooming_grid_search/specific_analyses/model_free/optimisation.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/zooming_grid_search/specific_analyses/model_free/optimisation.py?rev=24681&r1=24680&r2=24681&view=diff

Modified: 
branches/zooming_grid_search/specific_analyses/model_free/parameter_object.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/zooming_grid_search/specific_analyses/model_free/parameter_object.py?rev=24681&r1=24680&r2=24681&view=diff

Modified: 
branches/zooming_grid_search/specific_analyses/model_free/parameters.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/zooming_grid_search/specific_analyses/model_free/parameters.py?rev=24681&r1=24680&r2=24681&view=diff

Modified: branches/zooming_grid_search/specific_analyses/parameter_object.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/zooming_grid_search/specific_analyses/parameter_object.py?rev=24681&r1=24680&r2=24681&view=diff