Author: bugman
Date: Tue Aug 9 15:50:36 2011
New Revision: 14297
URL: http://svn.gna.org/viewcvs/relax?rev=14297&view=rev
Log:
Implemented two more of the structure user function pages and menu entries.
These are:
structure.create_vector_dist
structure.create_diff_tensor_pdb
The wizard graphics are taken from my paper:
d'Auvergne, E. J. and Gooley, P. R. (2008). Optimisation of NMR dynamic
models II. A new methodology
for the dual optimisation of the model-free parameters and the Brownian
rotational diffusion tensor.
J. Biomol. NMR, 40(2), 121-133. (http://dx.doi.org/10.1007/s10858-007-9213-3).
Added:
branches/gui_testing/graphics/wizards/structure/create_diff_tensor_pdb.png
(with props)
branches/gui_testing/graphics/wizards/structure/create_vector_dist.png
(with props)
Modified:
branches/gui_testing/gui/menu.py
branches/gui_testing/gui/user_functions/structure.py
Added:
branches/gui_testing/graphics/wizards/structure/create_diff_tensor_pdb.png
URL:
http://svn.gna.org/viewcvs/relax/branches/gui_testing/graphics/wizards/structure/create_diff_tensor_pdb.png?rev=14297&view=auto
==============================================================================
Binary file - no diff available.
Propchange:
branches/gui_testing/graphics/wizards/structure/create_diff_tensor_pdb.png
------------------------------------------------------------------------------
svn:mime-type = image/png
Added: branches/gui_testing/graphics/wizards/structure/create_vector_dist.png
URL:
http://svn.gna.org/viewcvs/relax/branches/gui_testing/graphics/wizards/structure/create_vector_dist.png?rev=14297&view=auto
==============================================================================
Binary file - no diff available.
Propchange:
branches/gui_testing/graphics/wizards/structure/create_vector_dist.png
------------------------------------------------------------------------------
svn:mime-type = image/png
Modified: branches/gui_testing/gui/menu.py
URL:
http://svn.gna.org/viewcvs/relax/branches/gui_testing/gui/menu.py?rev=14297&r1=14296&r2=14297&view=diff
==============================================================================
--- branches/gui_testing/gui/menu.py (original)
+++ branches/gui_testing/gui/menu.py Tue Aug 9 15:50:36 2011
@@ -257,6 +257,8 @@
[wx.NewId(), "num&ber", None,
self.gui.user_functions.spin.number]
]],
[wx.NewId(), "s&tructure", paths.icon_16x16.structure, None, [
+ [wx.NewId(), "&create_diff_tensor_pdb", None,
self.gui.user_functions.structure.create_diff_tensor_pdb],
+ [wx.NewId(), "&create_vector_dist", None,
self.gui.user_functions.structure.create_vector_dist],
[wx.NewId(), "&delete", paths.icon_16x16.remove,
self.gui.user_functions.structure.delete],
[wx.NewId(), "&load_spins", paths.icon_16x16.spin,
self.gui.user_functions.structure.load_spins],
[wx.NewId(), "&read_pdb", paths.icon_16x16.open,
self.gui.user_functions.structure.read_pdb],
Modified: branches/gui_testing/gui/user_functions/structure.py
URL:
http://svn.gna.org/viewcvs/relax/branches/gui_testing/gui/user_functions/structure.py?rev=14297&r1=14296&r2=14297&view=diff
==============================================================================
--- branches/gui_testing/gui/user_functions/structure.py (original)
+++ branches/gui_testing/gui/user_functions/structure.py Tue Aug 9 15:50:36
2011
@@ -33,7 +33,7 @@
# GUI module imports.
from base import UF_base, UF_page
-from gui.misc import gui_to_bool, gui_to_int, gui_to_str, str_to_gui
+from gui.misc import float_to_gui, gui_to_bool, gui_to_float, gui_to_int,
gui_to_str, str_to_gui
from gui.paths import WIZARD_IMAGE_PATH
from gui.wizard import Wiz_window
@@ -42,6 +42,38 @@
class Structure(UF_base):
"""The container class for holding all GUI elements."""
+ def create_diff_tensor_pdb(self, event):
+ """The structure.create_diff_tensor_pdb user function.
+
+ @param event: The wx event.
+ @type event: wx event
+ """
+
+ # Create the wizard.
+ wizard = Wiz_window(size_x=900, size_y=800,
title=self.get_title('structure', 'create_diff_tensor_pdb'))
+ page = Create_diff_tensor_pdb_page(wizard, self.gui)
+ wizard.add_page(page)
+
+ # Execute the wizard.
+ wizard.run()
+
+
+ def create_vector_dist(self, event):
+ """The structure.create_vector_dist user function.
+
+ @param event: The wx event.
+ @type event: wx event
+ """
+
+ # Create the wizard.
+ wizard = Wiz_window(size_x=800, size_y=700,
title=self.get_title('structure', 'create_vector_dist'))
+ page = Create_vector_dist_page(wizard, self.gui)
+ wizard.add_page(page)
+
+ # Execute the wizard.
+ wizard.run()
+
+
def delete(self, event):
"""The structure.delete user function.
@@ -120,6 +152,98 @@
# Execute the wizard.
wizard.run()
+
+
+
+class Create_diff_tensor_pdb_page(UF_page):
+ """The structure.create_diff_tensor_pdb() user function page."""
+
+ # Some class variables.
+ image_path = WIZARD_IMAGE_PATH + sep + 'structure' + sep +
'create_diff_tensor_pdb.png'
+ uf_path = ['structure', 'create_diff_tensor_pdb']
+ height_desc = 400
+
+ def add_contents(self, sizer):
+ """Add the structure specific GUI elements.
+
+ @param sizer: A sizer object.
+ @type sizer: wx.Sizer instance
+ """
+
+ # The scale arg.
+ self.scale = self.input_field(sizer, "Scaling factor:",
tooltip=self.uf._doc_args_dict['scale'])
+ self.scale.SetValue(float_to_gui(1.8e-6))
+
+ # Add a file selection.
+ self.file = self.file_selection(sizer, "The PDB file:", message="PDB
file selection", wildcard="PDB files (*.pdb)|*.pdb;*.PDB", style=wx.FD_SAVE,
tooltip=self.uf._doc_args_dict['file'])
+
+ # The force flag.
+ self.force = self.boolean_selector(sizer, "Force flag:",
tooltip=self.uf._doc_args_dict['force'], default=False)
+
+
+ def on_execute(self):
+ """Execute the user function."""
+
+ # The file name.
+ file = gui_to_str(self.file.GetValue())
+ if not file:
+ return
+
+ # Force flag.
+ force = gui_to_bool(self.force.GetValue())
+
+ # The scaling.
+ scale = gui_to_float(self.scale.GetValue())
+
+ # Delete all structures.
+ self.gui.interpreter.structure.create_diff_tensor_pdb(scale=scale,
file=file, force=force)
+
+
+
+class Create_vector_dist_page(UF_page):
+ """The structure.create_vector_dist() user function page."""
+
+ # Some class variables.
+ image_path = WIZARD_IMAGE_PATH + sep + 'structure' + sep +
'create_vector_dist.png'
+ uf_path = ['structure', 'create_vector_dist']
+
+ def add_contents(self, sizer):
+ """Add the structure specific GUI elements.
+
+ @param sizer: A sizer object.
+ @type sizer: wx.Sizer instance
+ """
+
+ # The length arg.
+ self.length = self.input_field(sizer, "Vector length:",
tooltip=self.uf._doc_args_dict['length'])
+ self.length.SetValue(float_to_gui(2e-9))
+
+ # Add a file selection.
+ self.file = self.file_selection(sizer, "The PDB file:", message="PDB
file selection", wildcard="PDB files (*.pdb)|*.pdb;*.PDB", style=wx.FD_SAVE,
tooltip=self.uf._doc_args_dict['file'])
+
+ # The symmetry flag.
+ self.symmetry = self.boolean_selector(sizer, "Symmetry flag:",
tooltip=self.uf._doc_args_dict['symmetry'], default=True)
+
+ # The force flag.
+ self.force = self.boolean_selector(sizer, "Force flag:",
tooltip=self.uf._doc_args_dict['force'], default=False)
+
+
+ def on_execute(self):
+ """Execute the user function."""
+
+ # The file name.
+ file = gui_to_str(self.file.GetValue())
+ if not file:
+ return
+
+ # Force flag.
+ force = gui_to_bool(self.force.GetValue())
+
+ # The scaling.
+ length = gui_to_float(self.length.GetValue())
+
+ # Delete all structures.
+ self.gui.interpreter.structure.create_vector_dist(length=length,
file=file, symmetry=symmetry, force=force)
r14297 - in /branches/gui_testing: graphics/wizards/structure/ gui/ gui/user_functions/
