Author: bugman
Date: Tue May 8 16:17:40 2012
New Revision: 16103
URL: http://svn.gna.org/viewcvs/relax?rev=16103&view=rev
Log:
Converted the fix user function to the auto-generation design.
The object-locked and object-unlocked Oxygen icons have been combined to create
a wizard graphic
for this user function.
Added:
branches/uf_redesign/graphics/oxygen_icons/modified/
branches/uf_redesign/graphics/oxygen_icons/modified/object-locked-unlocked.svgz
(with props)
branches/uf_redesign/graphics/wizards/object-locked-unlocked.png (with
props)
branches/uf_redesign/user_functions/fix.py
- copied, changed from r16100, branches/uf_redesign/prompt/fix.py
Removed:
branches/uf_redesign/prompt/fix.py
Modified:
branches/uf_redesign/prompt/__init__.py
branches/uf_redesign/prompt/interpreter.py
branches/uf_redesign/user_functions/__init__.py
Added:
branches/uf_redesign/graphics/oxygen_icons/modified/object-locked-unlocked.svgz
URL:
http://svn.gna.org/viewcvs/relax/branches/uf_redesign/graphics/oxygen_icons/modified/object-locked-unlocked.svgz?rev=16103&view=auto
==============================================================================
Binary file - no diff available.
Propchange:
branches/uf_redesign/graphics/oxygen_icons/modified/object-locked-unlocked.svgz
------------------------------------------------------------------------------
svn:mime-type = application/octet-stream
Added: branches/uf_redesign/graphics/wizards/object-locked-unlocked.png
URL:
http://svn.gna.org/viewcvs/relax/branches/uf_redesign/graphics/wizards/object-locked-unlocked.png?rev=16103&view=auto
==============================================================================
Binary file - no diff available.
Propchange: branches/uf_redesign/graphics/wizards/object-locked-unlocked.png
------------------------------------------------------------------------------
svn:mime-type = image/png
Modified: branches/uf_redesign/prompt/__init__.py
URL:
http://svn.gna.org/viewcvs/relax/branches/uf_redesign/prompt/__init__.py?rev=16103&r1=16102&r2=16103&view=diff
==============================================================================
--- branches/uf_redesign/prompt/__init__.py (original)
+++ branches/uf_redesign/prompt/__init__.py Tue May 8 16:17:40 2012
@@ -24,7 +24,6 @@
__all__ = ['base_class',
'command',
'doc_string',
- 'fix',
'frame_order',
'frq',
'gpl',
Removed: branches/uf_redesign/prompt/fix.py
URL:
http://svn.gna.org/viewcvs/relax/branches/uf_redesign/prompt/fix.py?rev=16102&view=auto
==============================================================================
--- branches/uf_redesign/prompt/fix.py (original)
+++ branches/uf_redesign/prompt/fix.py (removed)
@@ -1,77 +1,0 @@
-###############################################################################
-# #
-# Copyright (C) 2003-2012 Edward d'Auvergne #
-# #
-# This file is part of the program relax. #
-# #
-# relax is free software; you can redistribute it and/or modify #
-# it under the terms of the GNU General Public License as published by #
-# the Free Software Foundation; either version 2 of the License, or #
-# (at your option) any later version. #
-# #
-# relax is distributed in the hope that it will be useful, #
-# but WITHOUT ANY WARRANTY; without even the implied warranty of #
-# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the #
-# GNU General Public License for more details. #
-# #
-# You should have received a copy of the GNU General Public License #
-# along with relax; if not, write to the Free Software #
-# Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307 USA #
-# #
-###############################################################################
-
-# Module docstring.
-"""Module containing the 'fix' user function class."""
-__docformat__ = 'plaintext'
-
-# relax module imports.
-import arg_check
-from generic_fns import fix
-from status import Status; status = Status()
-
-
-class Fix:
- """Class containing the function for fixing or allowing parameter values
to change."""
-
- def fix(self, element=None, fixed=True):
- """Function for either fixing or allowing parameter values to change
during optimisation.
-
- Keyword Arguments
- ~~~~~~~~~~~~~~~~~
-
- element: Which element to fix.
-
- fixed: A flag specifying if the parameters should be fixed or allowed
to change.
-
-
- Description
- ~~~~~~~~~~~
-
- The keyword argument 'element' can be any of the following:
-
- 'diff' - the diffusion tensor parameters. This will allow all
diffusion tensor parameters
- to be toggled.
-
- 'all_spins' - using this keyword, all parameters from all spins will
be toggled.
-
- 'all' - all parameter will be toggled. This is equivalent to
combining both 'diff' and
- 'all_spins'.
-
-
- The flag 'fixed', if set to True, will fix parameters during
optimisation whereas a value of
- False will allow parameters to vary.
- """
-
- # Function intro text.
- if status.prompt_intro:
- text = status.ps3 + "fix("
- text = text + "element=" + repr(element)
- text = text + ", fixed=" + repr(fixed) + ")"
- print(text)
-
- # The argument checks.
- arg_check.is_str(element, 'element')
- arg_check.is_bool(fixed, 'fixed')
-
- # Execute the functional code.
- fix.fix(element=element, fixed=fixed)
Modified: branches/uf_redesign/prompt/interpreter.py
URL:
http://svn.gna.org/viewcvs/relax/branches/uf_redesign/prompt/interpreter.py?rev=16103&r1=16102&r2=16103&view=diff
==============================================================================
--- branches/uf_redesign/prompt/interpreter.py (original)
+++ branches/uf_redesign/prompt/interpreter.py Tue May 8 16:17:40 2012
@@ -55,7 +55,6 @@
from status import Status; status = Status()
# User functions.
-from fix import Fix
from gpl import GPL
from reset import Reset
from sys_info import Sys_info
@@ -190,13 +189,11 @@
objects['gpl'] = objects['GPL'] = GPL()
# Initialise the user functions (those not in user function classes)
- fix = Fix()
reset = Reset()
sys_info = Sys_info()
temp = Temp()
# Place the user functions in the local namespace.
- objects['fix'] = fix.fix
objects['reset'] = reset.reset
objects['sys_info'] = sys_info.sys_info
objects['temperature'] = temp.set
Modified: branches/uf_redesign/user_functions/__init__.py
URL:
http://svn.gna.org/viewcvs/relax/branches/uf_redesign/user_functions/__init__.py?rev=16103&r1=16102&r2=16103&view=diff
==============================================================================
--- branches/uf_redesign/user_functions/__init__.py (original)
+++ branches/uf_redesign/user_functions/__init__.py Tue May 8 16:17:40 2012
@@ -44,6 +44,7 @@
'diffusion_tensor',
'dx',
'eliminate',
+ 'fix',
'minimisation',
'model_selection',
'molmol',
@@ -66,6 +67,7 @@
import user_functions.diffusion_tensor
import user_functions.dx
import user_functions.eliminate
+import user_functions.fix
import user_functions.minimisation
import user_functions.model_selection
import user_functions.molmol
Copied: branches/uf_redesign/user_functions/fix.py (from r16100,
branches/uf_redesign/prompt/fix.py)
URL:
http://svn.gna.org/viewcvs/relax/branches/uf_redesign/user_functions/fix.py?p2=branches/uf_redesign/user_functions/fix.py&p1=branches/uf_redesign/prompt/fix.py&r1=16100&r2=16103&rev=16103&view=diff
==============================================================================
--- branches/uf_redesign/prompt/fix.py (original)
+++ branches/uf_redesign/user_functions/fix.py Tue May 8 16:17:40 2012
@@ -21,57 +21,57 @@
###############################################################################
# Module docstring.
-"""Module containing the 'fix' user function class."""
-__docformat__ = 'plaintext'
+"""Module containing the 'fix' user function data."""
# relax module imports.
-import arg_check
from generic_fns import fix
-from status import Status; status = Status()
+from graphics import WIZARD_IMAGE_PATH
+from user_functions.data import Uf_info; uf_info = Uf_info()
-class Fix:
- """Class containing the function for fixing or allowing parameter values
to change."""
+# The fix user function.
+uf = uf_info.add_uf('fix')
+uf.title = "Fix or allow parameter values to change during optimisation."
+uf.title_short = "Fixing of parameters."
+uf.display = True
+uf.add_keyarg(
+ name = "element",
+ py_type = "str",
+ desc_short = "element",
+ desc = "Which element to fix.",
+ wiz_element_type = "combo",
+ wiz_combo_choices = [
+ "Diffusion tensor parameters",
+ "All parameters from all spins",
+ "All parameters (diffusion and spin)"],
+ wiz_combo_data = [
+ "diff",
+ "all_spins",
+ "all"],
+ wiz_read_only = True,
+)
+uf.add_keyarg(
+ name = "fixed",
+ default = True,
+ py_type = "bool",
+ desc_short = "fixed",
+ desc = "A flag specifying if the parameters should be fixed or allowed to
change."
+)
+uf.desc = """
+The keyword argument 'element' can be any of the following:
- def fix(self, element=None, fixed=True):
- """Function for either fixing or allowing parameter values to change
during optimisation.
+ 'diff' - the diffusion tensor parameters. This will allow all diffusion
tensor parameters to be toggled.
+
+ 'all_spins' - using this keyword, all parameters from all spins will be
toggled.
+
+ 'all' - all parameters will be toggled. This is equivalent to combining
both 'diff' and 'all_spins'.
- Keyword Arguments
- ~~~~~~~~~~~~~~~~~
-
- element: Which element to fix.
-
- fixed: A flag specifying if the parameters should be fixed or allowed
to change.
-
-
- Description
- ~~~~~~~~~~~
-
- The keyword argument 'element' can be any of the following:
-
- 'diff' - the diffusion tensor parameters. This will allow all
diffusion tensor parameters
- to be toggled.
-
- 'all_spins' - using this keyword, all parameters from all spins will
be toggled.
-
- 'all' - all parameter will be toggled. This is equivalent to
combining both 'diff' and
- 'all_spins'.
-
-
- The flag 'fixed', if set to True, will fix parameters during
optimisation whereas a value of
- False will allow parameters to vary.
- """
-
- # Function intro text.
- if status.prompt_intro:
- text = status.ps3 + "fix("
- text = text + "element=" + repr(element)
- text = text + ", fixed=" + repr(fixed) + ")"
- print(text)
-
- # The argument checks.
- arg_check.is_str(element, 'element')
- arg_check.is_bool(fixed, 'fixed')
-
- # Execute the functional code.
- fix.fix(element=element, fixed=fixed)
+The flag 'fixed', if set to True, will fix parameters during optimisation
whereas a value of False will allow parameters to vary.
+"""
+uf.backend = fix.fix
+uf.menu_text = "&fix"
+uf.gui_icon = "oxygen.status.object-locked"
+uf.wizard_height_desc = 400
+uf.wizard_size = (800, 600)
+uf.wizard_apply_button = False
+uf.wizard_image = WIZARD_IMAGE_PATH + 'object-locked-unlocked.png'
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