Author: bugman
Date: Fri Apr 11 09:51:09 2014
New Revision: 22710
URL: http://svn.gna.org/viewcvs/relax?rev=22710&view=rev
Log:
Shifted the minimisation Grace strings and units into the parameter list
object.
The return_grace_string() and return_units() functions of the
pipe_control.minimise module have been
deleted and their contents shifted into the specific analysis parameter list
object.
Modified:
trunk/lib/software/grace.py
trunk/pipe_control/grace.py
trunk/pipe_control/minimise.py
trunk/specific_analyses/parameter_object.py
Modified: trunk/lib/software/grace.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/lib/software/grace.py?rev=22710&r1=22709&r2=22710&view=diff
==============================================================================
--- trunk/lib/software/grace.py (original)
+++ trunk/lib/software/grace.py Fri Apr 11 09:51:09 2014
@@ -366,15 +366,6 @@
# The specific analysis API object.
api = return_api()
- # Specific value and error, conversion factor, and units
returning functions.
- return_units = api.return_units
- return_grace_string = api.return_grace_string
-
- # Test if the axis data type is a minimisation statistic.
- if data_type[i] and data_type[i] != 'spin' and
pipe_control.minimise.return_data_name(data_type[i]):
- return_units = pipe_control.minimise.return_units
- return_grace_string =
pipe_control.minimise.return_grace_string
-
# Some axis default values for spin data.
if data_type[i] == 'spin':
# Residue only data.
@@ -407,10 +398,10 @@
data_type_i = data_type_i[:-3]
# Get the units.
- units = return_units(data_type_i)
+ units = api.return_units(data_type_i)
# Set the label.
- axis_labels[gi][i] = return_grace_string(data_type_i)
+ axis_labels[gi][i] = api.return_grace_string(data_type_i)
# Add units.
if units:
Modified: trunk/pipe_control/grace.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/pipe_control/grace.py?rev=22710&r1=22709&r2=22710&view=diff
==============================================================================
--- trunk/pipe_control/grace.py (original)
+++ trunk/pipe_control/grace.py Fri Apr 11 09:51:09 2014
@@ -68,11 +68,6 @@
# The specific analysis API object.
api = return_api()
-
- # Test if the axis data type is a minimisation statistic.
- if data_type[i] and data_type[i] != 'res_num' and
pipe_control.minimise.return_data_name(data_type[i]):
- return_units = pipe_control.minimise.return_units
- return_grace_string =
pipe_control.minimise.return_grace_string
# Some axis default values for spin data.
if data_type[i] == 'res_num':
Modified: trunk/pipe_control/minimise.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/pipe_control/minimise.py?rev=22710&r1=22709&r2=22710&view=diff
==============================================================================
--- trunk/pipe_control/minimise.py (original)
+++ trunk/pipe_control/minimise.py Fri Apr 11 09:51:09 2014
@@ -372,54 +372,6 @@
return 'h_count'
-def return_grace_string(stat_type):
- """Function for returning the Grace string representing the data type
for axis labelling.
-
- @param stat_type: The name of the statistic to return the Grace string
for.
- @type stat_type: str
- @return: The Grace string.
- @rtype: str
- """
-
- # Get the object name.
- object_name = return_data_name(stat_type)
-
- # Chi-squared.
- if object_name == 'chi2':
- grace_string = '\\xc\\S2'
-
- # Iteration count.
- elif object_name == 'iter':
- grace_string = 'Iteration count'
-
- # Function call count.
- elif object_name == 'f_count':
- grace_string = 'Function call count'
-
- # Gradient call count.
- elif object_name == 'g_count':
- grace_string = 'Gradient call count'
-
- # Hessian call count.
- elif object_name == 'h_count':
- grace_string = 'Hessian call count'
-
- # Return the Grace string.
- return grace_string
-
-
-def return_units(stat_type):
- """Dummy function which returns None as the stats have no units.
-
- @param stat_type: The name of the statistic. This is unused!
- @type stat_type: str
- @return: Nothing.
- @rtype: None
- """
-
- return None
-
-
def return_value(spin=None, stat_type=None, sim=None):
"""Function for returning the minimisation statistic corresponding to
'stat_type'.
Modified: trunk/specific_analyses/parameter_object.py
URL:
http://svn.gna.org/viewcvs/relax/trunk/specific_analyses/parameter_object.py?rev=22710&r1=22709&r2=22710&view=diff
==============================================================================
--- trunk/specific_analyses/parameter_object.py (original)
+++ trunk/specific_analyses/parameter_object.py Fri Apr 11 09:51:09 2014
@@ -193,11 +193,11 @@
scope = 'spin'
# The minimisation parameters.
- self._add('chi2', scope=scope, desc='Chi-squared value',
py_type=float, set='min', err=False, sim=True)
- self._add('iter', scope=scope, desc='Optimisation iterations',
py_type=int, set='min', err=False, sim=True)
- self._add('f_count', scope=scope, desc='Number of function
calls', py_type=int, set='min', err=False, sim=True)
- self._add('g_count', scope=scope, desc='Number of gradient
calls', py_type=int, set='min', err=False, sim=True)
- self._add('h_count', scope=scope, desc='Number of Hessian
calls', py_type=int, set='min', err=False, sim=True)
+ self._add('chi2', scope=scope, desc='Chi-squared value',
py_type=float, set='min', grace_string='\\xc\\S2', err=False, sim=True)
+ self._add('iter', scope=scope, desc='Optimisation iterations',
py_type=int, set='min', grace_string='Iteration count', err=False, sim=True)
+ self._add('f_count', scope=scope, desc='Number of function
calls', py_type=int, set='min', grace_string='Function call count',
err=False, sim=True)
+ self._add('g_count', scope=scope, desc='Number of gradient
calls', py_type=int, set='min', grace_string='Gradient call count',
err=False, sim=True)
+ self._add('h_count', scope=scope, desc='Number of Hessian
calls', py_type=int, set='min', grace_string='Hessian call count', err=False,
sim=True)
self._add('warning', scope=scope, desc='Optimisation warning',
py_type=str, set='min', err=False, sim=True)
r22710 - in /trunk: lib/software/grace.py pipe_control/grace.py pipe_control/minimise.py specific_analyses/parameter_object.py