Author: bugman
Date: Mon Jan 7 10:58:02 2008
New Revision: 4402
URL: http://svn.gna.org/viewcvs/relax?rev=4402&view=rev
Log:
Converted all of the minimise user functions to the new relax design.
Modified:
1.3/prompt/minimisation.py
Modified: 1.3/prompt/minimisation.py
URL:
http://svn.gna.org/viewcvs/relax/1.3/prompt/minimisation.py?rev=4402&r1=4401&r2=4402&view=diff
==============================================================================
--- 1.3/prompt/minimisation.py (original)
+++ 1.3/prompt/minimisation.py Mon Jan 7 10:58:02 2008
@@ -1,6 +1,6 @@
###############################################################################
#
#
-# Copyright (C) 2003-2005 Edward d'Auvergne
#
+# Copyright (C) 2003-2005, 2008 Edward d'Auvergne
#
#
#
# This file is part of the program relax.
#
#
#
@@ -20,12 +20,13 @@
#
#
###############################################################################
+# Python module imports.
from string import split
import sys
+# relax module imports.
+from minimise.generic import generic_minimise
from relax_errors import RelaxBinError, RelaxError, RelaxIntError,
RelaxIntListIntError, RelaxListError, RelaxListNumError, RelaxNoneError,
RelaxNoneNumError, RelaxNumError, RelaxStrError
-
-from minimise.generic import generic_minimise
class Minimisation:
@@ -35,41 +36,35 @@
self.relax = relax
- def calc(self, run=None, print_flag=1):
+ def calc(self, print_flag=1):
"""Function for calculating the function value.
Keyword Arguments
~~~~~~~~~~~~~~~~~
- run: The name of the run.
+ print_flag: The amount of information to print to screen. Zero
corresponds to minimal
+ output while higher values increase the amount of output. The
default value is 1.
"""
# Function intro text.
if self.relax.interpreter.intro:
text = sys.ps3 + "calc("
- text = text + "run=" + `run`
- text = text + ", print_flag=" + `print_flag` + ")"
+ text = text + "print_flag=" + `print_flag` + ")"
print text
-
- # The run argument.
- if type(run) != str:
- raise RelaxStrError, ('run', run)
# The print flag.
if type(print_flag) != int:
raise RelaxIntError, ('print flag', print_flag)
# Execute the functional code.
- self.relax.generic.minimise.calc(run=run, print_flag=print_flag)
-
-
- def grid_search(self, run=None, lower=None, upper=None, inc=21,
constraints=1, print_flag=1):
+ minimise.calc(print_flag=print_flag)
+
+
+ def grid_search(self, lower=None, upper=None, inc=21, constraints=1,
print_flag=1):
"""The grid search function.
Keyword Arguments
~~~~~~~~~~~~~~~~~
-
- run: The name of the run to apply the grid search to.
lower: An array of the lower bound parameter values for the grid
search. The length of the
array should be equal to the number of parameters in the model.
@@ -92,17 +87,12 @@
# Function intro text.
if self.relax.interpreter.intro:
text = sys.ps3 + "grid_search("
- text = text + "run=" + `run`
- text = text + ", lower=" + `lower`
+ text = text + "lower=" + `lower`
text = text + ", upper=" + `upper`
text = text + ", inc=" + `inc`
text = text + ", constraints=" + `constraints`
text = text + ", print_flag=" + `print_flag` + ")"
print text
-
- # The run argument.
- if type(run) != str:
- raise RelaxStrError, ('run', run)
# The lower bounds.
if lower == None:
@@ -143,7 +133,7 @@
raise RelaxIntError, ('print flag', print_flag)
# Execute the functional code.
- self.relax.generic.minimise.grid_search(run=run, lower=lower,
upper=upper, inc=inc, constraints=constraints, print_flag=print_flag)
+ minimise.grid_search(lower=lower, upper=upper, inc=inc,
constraints=constraints, print_flag=print_flag)
def minimise(self, *args, **keywords):
@@ -170,8 +160,6 @@
Keyword Arguments
~~~~~~~~~~~~~~~~~
- run: The name of the run.
-
func_tol: The function tolerance. This is used to terminate
minimisation once the function
value between iterations is less than the tolerance. The default
value is 1e-25.
@@ -211,27 +199,26 @@
Examples
~~~~~~~~
- To minimise the model-free run 'm4' using Newton minimisation
together with the GMW81
- Hessian modification algorithm, the More and Thuente line search
algorithm, a function
- tolerance of 1e-25, no gradient tolerance, a maximum of 10,000,000
iterations, constraints
- turned on to limit parameter values, and have normal printout, type
any combination of:
-
- relax> minimise('newton', run='m4')
- relax> minimise('Newton', run='m4')
- relax> minimise('newton', 'gmw', run='m4')
- relax> minimise('newton', 'mt', run='m4')
- relax> minimise('newton', 'gmw', 'mt', run='m4')
- relax> minimise('newton', 'mt', 'gmw', run='m4')
- relax> minimise('newton', run='m4', func_tol=1e-25)
- relax> minimise('newton', run='m4', func_tol=1e-25, grad_tol=None)
- relax> minimise('newton', run='m4', max_iter=1e7)
- relax> minimise('newton', run=name, constraints=1, max_iter=1e7)
- relax> minimise('newton', run='m4', print_flag=1)
-
- To minimise the model-free run 'm5' using constrained Simplex
minimisation with a maximum of
- 5000 iterations, type:
-
- relax> minimise('simplex', run='m5', constraints=1, max_iter=5000)
+ To apply Newton minimisation together with the GMW81 Hessian
modification algorithm, the
+ More and Thuente line search algorithm, a function tolerance of
1e-25, no gradient
+ tolerance, a maximum of 10,000,000 iterations, constraints turned on
to limit parameter
+ values, and have normal printout, type any combination of:
+
+ relax> minimise('newton')
+ relax> minimise('Newton')
+ relax> minimise('newton', 'gmw')
+ relax> minimise('newton', 'mt')
+ relax> minimise('newton', 'gmw', 'mt')
+ relax> minimise('newton', 'mt', 'gmw')
+ relax> minimise('newton', func_tol=1e-25)
+ relax> minimise('newton', func_tol=1e-25, grad_tol=None)
+ relax> minimise('newton', max_iter=1e7)
+ relax> minimise('newton', constraints=1, max_iter=1e7)
+ relax> minimise('newton', print_flag=1)
+
+ To use constrained Simplex minimisation with a maximum of 5000
iterations, type:
+
+ relax> minimise('simplex', constraints=1, max_iter=5000)
@@ -252,13 +239,7 @@
"""
- # Function intro text is found at the end.
-
- # Keyword: run.
- if keywords.has_key('run'):
- run = keywords['run']
- else:
- run = None
+ # The function intro text is found at the end!
# Keyword: func_tol.
if keywords.has_key('func_tol'):
@@ -302,7 +283,6 @@
if self.relax.interpreter.intro:
text = sys.ps3 + "minimise("
text = text + "*args=" + `args`
- text = text + ", run=" + `run`
text = text + ", func_tol=" + `func_tol`
text = text + ", max_iterations=" + `max_iterations`
text = text + ", constraints=" + `constraints`
@@ -321,7 +301,7 @@
min_options = args[1:]
# Test for invalid keywords.
- valid_keywords = ['run', 'func_tol', 'grad_tol', 'max_iter',
'max_iterations', 'constraints', 'scaling', 'print_flag']
+ valid_keywords = ['func_tol', 'grad_tol', 'max_iter',
'max_iterations', 'constraints', 'scaling', 'print_flag']
for key in keywords:
valid = 0
for valid_key in valid_keywords:
@@ -330,12 +310,6 @@
if not valid:
raise RelaxError, "Unknown keyword argument " + `key` + "."
- # The run keyword.
- if run == None:
- raise RelaxNoneError, 'run'
- elif type(run) != str:
- raise RelaxStrError, ('run', run)
-
# The function tolerance value.
if func_tol != None and type(func_tol) != int and type(func_tol) !=
float:
raise RelaxNoneNumError, ('function tolerance', func_tol)
@@ -364,7 +338,7 @@
raise RelaxIntError, ('print flag', print_flag)
# Execute the functional code.
- self.relax.generic.minimise.minimise(run=run, 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.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)
r4402 - /1.3/prompt/minimisation.py