Author: bugman
Date: Wed Jan 9 14:42:52 2008
New Revision: 4553
URL: http://svn.gna.org/viewcvs/relax?rev=4553&view=rev
Log:
Merged revisions 4549-4551 via svnmerge from
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/1.3
........
r4549 | bugman | 2008-01-09 14:38:00 +0100 (Wed, 09 Jan 2008) | 3 lines
Changed all instances of the 'print_flag' arg to 'verbosity' in the
generic_fns.minimise module.
........
r4550 | bugman | 2008-01-09 14:39:09 +0100 (Wed, 09 Jan 2008) | 3 lines
Removed some unused imports.
........
r4551 | bugman | 2008-01-09 14:41:03 +0100 (Wed, 09 Jan 2008) | 3 lines
Changed all the 'constraints' and 'scaling' args to be of bool type.
........
Modified:
branches/N_state_model/ (props changed)
branches/N_state_model/generic_fns/minimise.py
Propchange: branches/N_state_model/
------------------------------------------------------------------------------
Binary property 'svnmerge-integrated' - no diff available.
Modified: branches/N_state_model/generic_fns/minimise.py
URL:
http://svn.gna.org/viewcvs/relax/branches/N_state_model/generic_fns/minimise.py?rev=4553&r1=4552&r2=4553&view=diff
==============================================================================
--- branches/N_state_model/generic_fns/minimise.py (original)
+++ branches/N_state_model/generic_fns/minimise.py Wed Jan 9 14:42:52 2008
@@ -21,13 +21,12 @@
###############################################################################
# Python module imports.
-from Queue import Queue
from re import search
# relax module imports.
from data import Data as relax_data_store
from selection import spin_loop
-from relax_errors import RelaxError, RelaxNoPipeError
+from relax_errors import RelaxError
from specific_fns import get_specific_fn
@@ -108,12 +107,12 @@
-def calc(print_flag=1):
+def calc(verbosity=1):
"""Function for calculating the function value.
- @param print_flag: A flag specifying the amount of information to
print. The higher the value,
- the greater the verbosity.
- @type print_flag: int
+ @param verbosity: The amount of information to print. The higher the
value, the greater
+ the verbosity.
+ @type verbosity: int
"""
# Alias the current data pipe.
@@ -130,16 +129,16 @@
if hasattr(cdp, 'sim_state') and cdp.sim_state == 1:
# Loop over the simulations.
for i in xrange(cdp.sim_number):
- if print_flag:
+ if verbosity:
print "Simulation " + `i+1`
- calculate(print_flag=print_flag-1, sim_index=i)
+ calculate(verbosity=verbosity-1, sim_index=i)
# Minimisation.
else:
- calculate(print_flag=print_flag)
-
-
-def grid_search(lower=None, upper=None, inc=None, constraints=1,
print_flag=1):
+ calculate(verbosity=verbosity)
+
+
+def grid_search(lower=None, upper=None, inc=None, constraints=True,
verbosity=1):
"""The grid search function.
@param lower: The lower bounds of the grid search which must be
equal to the number of
@@ -152,12 +151,12 @@
number of elements in the array must equal to the
number of parameters in
the model.
@type inc: array of int
- @param constraints: If true, constraints are applied during the grid
search (elinating parts of
- the grid). If false, no constraints are used.
+ @param constraints: If True, constraints are applied during the grid
search (elinating parts of
+ the grid). If False, no constraints are used.
@type constraints: bool
- @param print_flag: A flag specifying the amount of information to
print. The higher the value,
- the greater the verbosity.
- @type print_flag: int
+ @param verbosity: The amount of information to print. The higher the
value, the greater
+ the verbosity.
+ @type verbosity: int
"""
# Alias the current data pipe.
@@ -174,16 +173,16 @@
if hasattr(cdp, 'sim_state') and cdp.sim_state == 1:
# Loop over the simulations.
for i in xrange(cdp.sim_number):
- if print_flag:
+ if verbosity:
print "Simulation " + `i+1`
- grid_search(lower=lower, upper=upper, inc=inc,
constraints=constraints, print_flag=print_flag-1, sim_index=i)
+ grid_search(lower=lower, upper=upper, inc=inc,
constraints=constraints, verbosity=verbosity-1, sim_index=i)
# Grid search.
else:
- grid_search(lower=lower, upper=upper, inc=inc,
constraints=constraints, print_flag=print_flag)
-
-
-def minimise(min_algor=None, min_options=None, func_tol=None, grad_tol=None,
max_iterations=None, constraints=1, scaling=1, print_flag=1, sim_index=None):
+ grid_search(lower=lower, upper=upper, inc=inc,
constraints=constraints, verbosity=verbosity)
+
+
+def minimise(min_algor=None, min_options=None, func_tol=None, grad_tol=None,
max_iterations=None, constraints=True, scaling=True, verbosity=1,
sim_index=None):
"""Minimisation function.
@param min_algor: The minimisation algorithm to use.
@@ -198,14 +197,14 @@
@type grad_tol: None or float
@param max_iterations: The maximum number of iterations for the
algorithm.
@type max_iterations: int
- @param constraints: If true, constraints are used during
optimisation.
+ @param constraints: If True, constraints are used during
optimisation.
@type constraints: bool
- @param scaling: If true, diagonal scaling is enabled during
optimisation to allow the
+ @param scaling: If True, diagonal scaling is enabled during
optimisation to allow the
problem to be better conditioned.
@type scaling: bool
- @param print_flag: A flag specifying the amount of information to
print. The higher the
- value, the greater the verbosity.
- @type print_flag: int
+ @param verbosity: The amount of information to print. The higher
the value, the greater
+ the verbosity.
+ @type verbosity: int
@param sim_index: The index of the simulation to optimise. This
should be None if normal
optimisation is desired.
@type sim_index: None or int
@@ -223,18 +222,18 @@
# Single Monte Carlo simulation.
if sim_index != None:
- minimise(min_algor=min_algor, min_options=min_options,
func_tol=func_tol, grad_tol=grad_tol, max_iterations=max_iterations,
constraints=constraints, scaling=scaling, print_flag=print_flag,
sim_index=sim_index)
+ minimise(min_algor=min_algor, min_options=min_options,
func_tol=func_tol, grad_tol=grad_tol, max_iterations=max_iterations,
constraints=constraints, scaling=scaling, verbosity=verbosity,
sim_index=sim_index)
# Monte Carlo simulation minimisation.
elif hasattr(relax_data_store, 'sim_state') and
relax_data_store.sim_state == 1:
for i in xrange(relax_data_store.sim_number):
- if print_flag:
+ if verbosity:
print "Simulation " + `i+1`
- minimise(min_algor=min_algor, min_options=min_options,
func_tol=func_tol, grad_tol=grad_tol, max_iterations=max_iterations,
constraints=constraints, scaling=scaling, print_flag=print_flag-1,
sim_index=i)
+ minimise(min_algor=min_algor, min_options=min_options,
func_tol=func_tol, grad_tol=grad_tol, max_iterations=max_iterations,
constraints=constraints, scaling=scaling, verbosity=verbosity-1, sim_index=i)
# Standard minimisation.
else:
- minimise(min_algor=min_algor, min_options=min_options,
func_tol=func_tol, grad_tol=grad_tol, max_iterations=max_iterations,
constraints=constraints, scaling=scaling, print_flag=print_flag)
+ minimise(min_algor=min_algor, min_options=min_options,
func_tol=func_tol, grad_tol=grad_tol, max_iterations=max_iterations,
constraints=constraints, scaling=scaling, verbosity=verbosity)
def return_conversion_factor(stat_type):
r4553 - in /branches/N_state_model: ./ generic_fns/minimise.py