r24604 - /branches/zooming_grid_search/specific_analyses/relax_disp/ -- July 22, 2014 - 14:30

Author: bugman
Date: Tue Jul 22 14:30:48 2014
New Revision: 24604

URL: http://svn.gna.org/viewcvs/relax?rev=24604&view=rev
Log:
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.


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

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

Modified: branches/zooming_grid_search/specific_analyses/relax_disp/api.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/zooming_grid_search/specific_analyses/relax_disp/api.py?rev=24604&r1=24603&r2=24604&view=diff

Modified: 
branches/zooming_grid_search/specific_analyses/relax_disp/optimisation.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/zooming_grid_search/specific_analyses/relax_disp/optimisation.py?rev=24604&r1=24603&r2=24604&view=diff

Modified: 
branches/zooming_grid_search/specific_analyses/relax_disp/parameter_object.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/zooming_grid_search/specific_analyses/relax_disp/parameter_object.py?rev=24604&r1=24603&r2=24604&view=diff

Modified: 
branches/zooming_grid_search/specific_analyses/relax_disp/parameters.py
URL: 
http://svn.gna.org/viewcvs/relax/branches/zooming_grid_search/specific_analyses/relax_disp/parameters.py?rev=24604&r1=24603&r2=24604&view=diff