Author: bugman
Date: Wed Jan 9 11:28:35 2008
New Revision: 4528
URL: http://svn.gna.org/viewcvs/relax?rev=4528&view=rev
Log:
Merged revisions 4523-4527 via svnmerge from
svn+ssh://bugman@xxxxxxxxxxx/svn/relax/1.3
........
r4523 | bugman | 2008-01-09 10:50:39 +0100 (Wed, 09 Jan 2008) | 5 lines
Renamed 'print_flag' to 'verbosity' in the calc(), grid_search(), and
minimise() user functions.
This arg is not really a flag, and it is the verbosity level, so this makes
more sense.
........
r4524 | bugman | 2008-01-09 10:53:06 +0100 (Wed, 09 Jan 2008) | 3 lines
Created a new error type for booleans - RelaxBoolError.
........
r4525 | bugman | 2008-01-09 10:57:51 +0100 (Wed, 09 Jan 2008) | 3 lines
Converted all the bin args (0/1) to bool args (True/False) in the
minimisation user functions.
........
r4526 | bugman | 2008-01-09 11:25:14 +0100 (Wed, 09 Jan 2008) | 3 lines
Changed all references to 'print_flag' to 'verbosity' in the user function
arg unit tests.
........
r4527 | bugman | 2008-01-09 11:26:16 +0100 (Wed, 09 Jan 2008) | 3 lines
Changed all the bin minimisation arg unit tests to tests for boolean args.
........
Modified:
branches/N_state_model/ (props changed)
branches/N_state_model/prompt/minimisation.py
branches/N_state_model/relax_errors.py
branches/N_state_model/test_suite/unit_tests/_prompt/test_minimisation.py
Propchange: branches/N_state_model/
------------------------------------------------------------------------------
Binary property 'svnmerge-integrated' - no diff available.
Modified: branches/N_state_model/prompt/minimisation.py
URL:
http://svn.gna.org/viewcvs/relax/branches/N_state_model/prompt/minimisation.py?rev=4528&r1=4527&r2=4528&view=diff
==============================================================================
--- branches/N_state_model/prompt/minimisation.py (original)
+++ branches/N_state_model/prompt/minimisation.py Wed Jan 9 11:28:35 2008
@@ -27,7 +27,7 @@
# relax module imports.
from minimise.generic import generic_minimise
from generic_fns import minimise
-from relax_errors import RelaxBinError, RelaxError, RelaxIntError,
RelaxIntListIntError, RelaxListError, RelaxListNumError, RelaxNoneError,
RelaxNoneNumError, RelaxNumError, RelaxStrError
+from relax_errors import RelaxBoolError, RelaxError, RelaxIntError,
RelaxIntListIntError, RelaxListError, RelaxListNumError, RelaxNoneError,
RelaxNoneNumError, RelaxNumError, RelaxStrError
class Minimisation:
@@ -37,31 +37,31 @@
self.relax = relax
- def calc(self, print_flag=1):
+ def calc(self, verbosity=1):
"""Function for calculating the function value.
Keyword Arguments
~~~~~~~~~~~~~~~~~
- print_flag: The amount of information to print to screen. Zero
corresponds to minimal
+ verbosity: 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 + "print_flag=" + `print_flag` + ")"
+ text = text + "verbosity=" + `verbosity` + ")"
print text
- # The print flag.
- if type(print_flag) != int:
- raise RelaxIntError, ('print flag', print_flag)
+ # The verbosity level.
+ if type(verbosity) != int:
+ raise RelaxIntError, ('verbosity level', verbosity)
# Execute the functional code.
- minimise.calc(print_flag=print_flag)
-
-
- def grid_search(self, lower=None, upper=None, inc=21, constraints=1,
print_flag=1):
+ minimise.calc(verbosity=verbosity)
+
+
+ def grid_search(self, lower=None, upper=None, inc=21, constraints=True,
verbosity=1):
"""The grid search function.
Keyword Arguments
@@ -78,10 +78,10 @@
direction can be set if 'inc' is set to an array of integers of
length equal to the number
of parameters.
- constraints: A flag specifying whether the parameters should be
constrained. The default
- is to turn constraints on (constraints=1).
-
- print_flag: The amount of information to print to screen. Zero
corresponds to minimal
+ constraints: A boolean flag specifying whether the parameters
should be constrained. The
+ default is to turn constraints on (constraints=True).
+
+ verbosity: 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.
"""
@@ -92,7 +92,7 @@
text = text + ", upper=" + `upper`
text = text + ", inc=" + `inc`
text = text + ", constraints=" + `constraints`
- text = text + ", print_flag=" + `print_flag` + ")"
+ text = text + ", verbosity=" + `verbosity` + ")"
print text
# The lower bounds.
@@ -141,15 +141,15 @@
raise RelaxIntListIntError, ('incrementation value', inc)
# Constraint flag.
- if type(constraints) != int or (constraints != 0 and constraints !=
1):
- raise RelaxBinError, ('constraint flag', constraints)
-
- # The print flag.
- if type(print_flag) != int:
- raise RelaxIntError, ('print flag', print_flag)
+ if type(constraints) != bool:
+ raise RelaxBoolError, ('constraint flag', constraints)
+
+ # The verbosity level.
+ if type(verbosity) != int:
+ raise RelaxIntError, ('verbosity level', verbosity)
# Execute the functional code.
- minimise.grid_search(lower=lower, upper=upper, inc=inc,
constraints=constraints, print_flag=print_flag)
+ minimise.grid_search(lower=lower, upper=upper, inc=inc,
constraints=constraints, verbosity=verbosity)
def minimise(self, *args, **keywords):
@@ -184,13 +184,12 @@
max_iterations: The maximum number of iterations. The default
value is 1e7.
- constraints: A flag specifying whether the parameters should be
constrained. The default
- is to turn constraints on (constraints=1).
-
- scaling: The diagonal scaling flag. The default that scaling is on
(scaling=1).
-
-
- print_flag: The amount of information to print to screen. Zero
corresponds to minimal
+ constraints: A boolean flag specifying whether the parameters
should be constrained. The
+ default is to turn constraints on (constraints=True).
+
+ scaling: The diagonal scaling boolean flag. The default that
scaling is on (scaling=True).
+
+ verbosity: 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.
@@ -229,12 +228,12 @@
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)
+ relax> minimise('newton', constraints=True, max_iter=1e7)
+ relax> minimise('newton', verbosity=1)
To use constrained Simplex minimisation with a maximum of 5000
iterations, type:
- relax> minimise('simplex', constraints=1, max_iter=5000)
+ relax> minimise('simplex', constraints=True, max_iter=5000)
@@ -281,19 +280,19 @@
if keywords.has_key('constraints'):
constraints = keywords['constraints']
else:
- constraints = 1
+ constraints = True
# Keyword: scaling.
if keywords.has_key('scaling'):
scaling = keywords['scaling']
else:
- scaling = 1
-
- # Keyword: print_flag.
- if keywords.has_key('print_flag'):
- print_flag = keywords['print_flag']
- else:
- print_flag = 1
+ scaling = True
+
+ # Keyword: verbosity.
+ if keywords.has_key('verbosity'):
+ verbosity = keywords['verbosity']
+ else:
+ verbosity = 1
# Function intro text.
if self.relax.interpreter.intro:
@@ -303,7 +302,7 @@
text = text + ", max_iterations=" + `max_iterations`
text = text + ", constraints=" + `constraints`
text = text + ", scaling=" + `scaling`
- text = text + ", print_flag=" + `print_flag` + ")"
+ text = text + ", verbosity=" + `verbosity` + ")"
print text
# Minimisation algorithm.
@@ -318,12 +317,12 @@
min_options = args[1:]
# Test for invalid keywords.
- valid_keywords = ['func_tol', 'grad_tol', 'max_iter',
'max_iterations', 'constraints', 'scaling', 'print_flag']
+ valid_keywords = ['func_tol', 'grad_tol', 'max_iter',
'max_iterations', 'constraints', 'scaling', 'verbosity']
for key in keywords:
- valid = 0
+ valid = False
for valid_key in valid_keywords:
if key == valid_key:
- valid = 1
+ valid = True
if not valid:
raise RelaxError, "Unknown keyword argument " + `key` + "."
@@ -340,22 +339,22 @@
raise RelaxIntError, ('maximum number of iterations',
max_iterations)
# Constraint flag.
- if type(constraints) != int or (constraints != 0 and constraints !=
1):
- raise RelaxBinError, ('constraint flag', constraints)
- elif constraints == 1:
+ if type(constraints) != bool:
+ raise RelaxBoolError, ('constraint flag', constraints)
+ elif constraints:
min_algor = 'Method of Multipliers'
min_options = args
# Scaling.
- if type(scaling) != int or (scaling != 0 and scaling != 1):
- raise RelaxBinError, ('scaling', scaling)
-
- # Print flag.
- if type(print_flag) != int:
- raise RelaxIntError, ('print flag', print_flag)
+ if type(scaling) != bool:
+ raise RelaxBoolError, ('scaling', scaling)
+
+ # The verbosity level.
+ if type(verbosity) != int:
+ raise RelaxIntError, ('verbosity level', verbosity)
# Execute the functional code.
- 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)
+ 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, verbosity=verbosity)
Modified: branches/N_state_model/relax_errors.py
URL:
http://svn.gna.org/viewcvs/relax/branches/N_state_model/relax_errors.py?rev=4528&r1=4527&r2=4528&view=diff
==============================================================================
--- branches/N_state_model/relax_errors.py (original)
+++ branches/N_state_model/relax_errors.py Wed Jan 9 11:28:35 2008
@@ -1,6 +1,6 @@
###############################################################################
#
#
-# Copyright (C) 2003-2007 Edward d'Auvergne
#
+# Copyright (C) 2003-2008 Edward d'Auvergne
#
#
#
# This file is part of the program relax.
#
#
#
@@ -194,6 +194,13 @@
if Debug:
self.save_state()
+# Boolean - the values True and False.
+class RelaxBoolError(BaseError):
+ def __init__(self, name, value):
+ self.text = "The " + name + " boolean argument " + `value` + " must
either be True or False."
+ if Debug:
+ self.save_state()
+
# Binary - integers 0 and 1.
class RelaxBinError(BaseError):
def __init__(self, name, value):
Modified:
branches/N_state_model/test_suite/unit_tests/_prompt/test_minimisation.py
URL:
http://svn.gna.org/viewcvs/relax/branches/N_state_model/test_suite/unit_tests/_prompt/test_minimisation.py?rev=4528&r1=4527&r2=4528&view=diff
==============================================================================
--- branches/N_state_model/test_suite/unit_tests/_prompt/test_minimisation.py
(original)
+++ branches/N_state_model/test_suite/unit_tests/_prompt/test_minimisation.py
Wed Jan 9 11:28:35 2008
@@ -26,7 +26,7 @@
# relax module imports.
from data import Data as relax_data_store
from prompt.minimisation import Minimisation
-from relax_errors import RelaxError, RelaxBinError, RelaxIntError,
RelaxIntListIntError, RelaxListError, RelaxListNumError, RelaxNoneError,
RelaxNoneNumError, RelaxStrError
+from relax_errors import RelaxError, RelaxBoolError, RelaxIntError,
RelaxIntListIntError, RelaxListError, RelaxListNumError, RelaxNoneError,
RelaxNoneNumError, RelaxStrError
from test_suite.unit_tests.minimisation_testing_base import
Minimisation_base_class
# Unit test imports.
@@ -41,8 +41,8 @@
minimisation_fns = Minimisation(fake_relax.fake_instance())
- def test_calc_argfail_print_flag(self):
- """The print_flag arg test of the calc() user function."""
+ def test_calc_argfail_verbosity(self):
+ """The verbosity arg test of the calc() user function."""
# Loop over the data types.
for data in DATA_TYPES:
@@ -51,7 +51,7 @@
continue
# The argument test.
- self.assertRaises(RelaxIntError, self.minimisation_fns.calc,
print_flag=data[1])
+ self.assertRaises(RelaxIntError, self.minimisation_fns.calc,
verbosity=data[1])
def test_grid_search_argfail_lower(self):
@@ -118,16 +118,16 @@
# Loop over the data types.
for data in DATA_TYPES:
- # Catch the bin arguments, and skip them.
- if data[0] == 'bin':
- continue
-
- # The argument test.
- self.assertRaises(RelaxBinError,
self.minimisation_fns.grid_search, constraints=data[1])
-
-
- def test_grid_search_argfail_print_flag(self):
- """The print_flag arg test of the grid_search() user function."""
+ # Catch the bool arguments, and skip them.
+ if data[0] == 'bool':
+ continue
+
+ # The argument test.
+ self.assertRaises(RelaxBoolError,
self.minimisation_fns.grid_search, constraints=data[1])
+
+
+ def test_grid_search_argfail_verbosity(self):
+ """The verbosity arg test of the grid_search() user function."""
# Loop over the data types.
for data in DATA_TYPES:
@@ -136,7 +136,7 @@
continue
# The argument test.
- self.assertRaises(RelaxIntError,
self.minimisation_fns.grid_search, print_flag=data[1])
+ self.assertRaises(RelaxIntError,
self.minimisation_fns.grid_search, verbosity=data[1])
def test_minimise_argfail_args(self):
@@ -210,12 +210,12 @@
# Loop over the data types.
for data in DATA_TYPES:
- # Catch the bin arguments, and skip them.
- if data[0] == 'bin':
- continue
-
- # The argument test.
- self.assertRaises(RelaxBinError, self.minimisation_fns.minimise,
'Newton', constraints=data[1])
+ # Catch the bool arguments, and skip them.
+ if data[0] == 'bool':
+ continue
+
+ # The argument test.
+ self.assertRaises(RelaxBoolError,
self.minimisation_fns.minimise, 'Newton', constraints=data[1])
def test_minimise_argfail_scaling(self):
@@ -223,16 +223,16 @@
# Loop over the data types.
for data in DATA_TYPES:
- # Catch the bin arguments, and skip them.
- if data[0] == 'bin':
- continue
-
- # The argument test.
- self.assertRaises(RelaxBinError, self.minimisation_fns.minimise,
'Newton', scaling=data[1])
-
-
- def test_minimise_argfail_print_flag(self):
- """The print_flag arg test of the minimise() user function."""
+ # Catch the bool arguments, and skip them.
+ if data[0] == 'bool':
+ continue
+
+ # The argument test.
+ self.assertRaises(RelaxBoolError,
self.minimisation_fns.minimise, 'Newton', scaling=data[1])
+
+
+ def test_minimise_argfail_verbosity(self):
+ """The verbosity arg test of the minimise() user function."""
# Loop over the data types.
for data in DATA_TYPES:
@@ -241,6 +241,6 @@
continue
# The argument test.
- self.assertRaises(RelaxIntError, self.minimisation_fns.minimise,
'Newton', print_flag=data[1])
-
-
+ self.assertRaises(RelaxIntError, self.minimisation_fns.minimise,
'Newton', verbosity=data[1])
+
+
r4528 - in /branches/N_state_model: ./ prompt/ test_suite/unit_tests/_prompt/