Author: bugman
Date: Tue Jul 22 13:36:33 2014
New Revision: 24600
URL: http://svn.gna.org/viewcvs/relax?rev=24600&view=rev
Log:
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.
Modified:
branches/zooming_grid_search/pipe_control/minimise.py
branches/zooming_grid_search/user_functions/minimisation.py
Modified: branches/zooming_grid_search/pipe_control/minimise.py
URL:
http://svn.gna.org/viewcvs/relax/branches/zooming_grid_search/pipe_control/minimise.py?rev=24600&r1=24599&r2=24600&view=diff
==============================================================================
--- branches/zooming_grid_search/pipe_control/minimise.py (original)
+++ branches/zooming_grid_search/pipe_control/minimise.py Tue Jul 22
13:36:33 2014
@@ -137,7 +137,7 @@
processor.run_queue()
-def grid_search(lower=None, upper=None, inc=None, verbosity=1,
constraints=True):
+def grid_search(lower=None, upper=None, inc=None, verbosity=1,
constraints=True, skip_preset=True):
"""The grid search function.
@keyword lower: The lower bounds of the grid search which must
be equal to the number of parameters in the model.
@@ -150,6 +150,8 @@
@type verbosity: int
@keyword constraints: If True, constraints are applied during the grid
search (elinating parts of the grid). If False, no constraints are used.
@type constraints: bool
+ @keyword skip_preset: This argument, when True, allows any parameter
which already has a value set to be skipped in the grid search.
+ @type skip_preset: bool
"""
# Test if the current data pipe exists.
@@ -162,7 +164,7 @@
api.overfit_deselect()
# Determine the model specific grid bounds, and allow for the zooming
grid search, and check the inc argument.
- model_lower, model_upper, model_inc = grid_setup(lower, upper, inc,
verbosity=verbosity)
+ model_lower, model_upper, model_inc = grid_setup(lower, upper, inc,
verbosity=verbosity, skip_preset=skip_preset)
# Create the scaling matrix.
scaling_matrix = assemble_scaling_matrix()
@@ -202,19 +204,21 @@
processor.run_queue()
-def grid_setup(lower=None, upper=None, inc=None, verbosity=1):
+def grid_setup(lower=None, upper=None, inc=None, verbosity=1,
skip_preset=True):
"""Determine the per-model grid bounds, allowing for the zooming grid
search.
- @keyword lower: The user supplied lower bounds of the grid search
which must be equal to the number of parameters in the model.
- @type lower: list of numbers
- @keyword upper: The user supplied upper bounds of the grid search
which must be equal to the number of parameters in the model.
- @type upper: list of numbers
- @keyword inc: The user supplied grid search increments.
- @type inc: int or list of int
- @keyword verbosity: The amount of information to print. The higher the
value, the greater the verbosity.
- @type verbosity: int
- @return: The per-model grid upper and lower bounds. The
first dimension of each structure corresponds to the model, the second the
model parameters.
- @rtype: tuple of lists of lists of float, lists of lists of
float, list of lists of int
+ @keyword lower: The user supplied lower bounds of the grid
search which must be equal to the number of parameters in the model.
+ @type lower: list of numbers
+ @keyword upper: The user supplied upper bounds of the grid
search which must be equal to the number of parameters in the model.
+ @type upper: list of numbers
+ @keyword inc: The user supplied grid search increments.
+ @type inc: int or list of int
+ @keyword verbosity: The amount of information to print. The higher
the value, the greater the verbosity.
+ @type verbosity: int
+ @keyword skip_preset: This argument, when True, allows any parameter
which already has a value set to be skipped in the grid search.
+ @type skip_preset: bool
+ @return: The per-model grid upper and lower bounds. The
first dimension of each structure corresponds to the model, the second the
model parameters.
+ @rtype: tuple of lists of lists of float, lists of lists
of float, list of lists of int
"""
# The specific analysis API object and parameter object.
@@ -290,7 +294,11 @@
else:
upper_i = param_object.grid_upper(names[i],
model_info=model_info)
- # The scaling factor.
+ # Skip preset values.
+ if skip_preset and values[i] != None:
+ lower_i = values[i]
+ upper_i = values[i]
+ model_inc[-1][i] = 1
# Scale the bounds.
scaling = param_object.scaling(names[i], model_info=model_info)
Modified: branches/zooming_grid_search/user_functions/minimisation.py
URL:
http://svn.gna.org/viewcvs/relax/branches/zooming_grid_search/user_functions/minimisation.py?rev=24600&r1=24599&r2=24600&view=diff
==============================================================================
--- branches/zooming_grid_search/user_functions/minimisation.py (original)
+++ branches/zooming_grid_search/user_functions/minimisation.py Tue Jul 22
13:36:33 2014
@@ -97,6 +97,13 @@
py_type = "bool",
desc_short = "constraints flag",
desc = "A boolean flag specifying whether the parameters should be
constrained. The default is to turn constraints on (constraints=True)."
+)
+uf.add_keyarg(
+ name = "skip_preset",
+ default = True,
+ py_type = "bool",
+ desc_short = "skip preset parameter flag",
+ desc = "This argument, when True, allows any parameter which already has
a value set to be skipped in the grid search."
)
# Description.
uf.desc.append(Desc_container())
r24600 - in /branches/zooming_grid_search: pipe_control/minimise.py user_functions/minimisation.py