Author: bugman
Date: Wed Aug 10 09:13:22 2011
New Revision: 14306
URL: http://svn.gna.org/viewcvs/relax?rev=14306&view=rev
Log:
Added the missing molmol user function pages which should have been part of
r14304.
Added:
branches/gui_testing/gui/user_functions/molmol.py
Added: branches/gui_testing/gui/user_functions/molmol.py
URL:
http://svn.gna.org/viewcvs/relax/branches/gui_testing/gui/user_functions/molmol.py?rev=14306&view=auto
==============================================================================
--- branches/gui_testing/gui/user_functions/molmol.py (added)
+++ branches/gui_testing/gui/user_functions/molmol.py Wed Aug 10 09:13:22 2011
@@ -1,0 +1,373 @@
+###############################################################################
+#
#
+# Copyright (C) 2011 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.
+"""The molmol user function GUI elements."""
+
+# Python module imports.
+from os import sep
+import wx
+
+# GUI module imports.
+from base import UF_base, UF_page
+from gui.paths import WIZARD_IMAGE_PATH
+from gui.misc import gui_to_bool, gui_to_float, gui_to_int, gui_to_str,
str_to_gui
+from gui.wizard import Wiz_window
+
+
+# The container class.
+class Molmol(UF_base):
+ """The container class for holding all GUI elements."""
+
+ def clear_history(self, event):
+ """The molmol.clear_history user function.
+
+ @param event: The wx event.
+ @type event: wx event
+ """
+
+ # Execute the wizard.
+ wizard = Wiz_window(size_x=600, size_y=300,
title=self.get_title('molmol', 'clear_history'))
+ page = Clear_history_page(wizard, self.gui)
+ wizard.add_page(page, apply_button=False)
+ wizard.run()
+
+
+ def command(self, event):
+ """The molmol.command user function.
+
+ @param event: The wx event.
+ @type event: wx event
+ """
+
+ # Execute the wizard.
+ wizard = Wiz_window(size_x=700, size_y=400,
title=self.get_title('molmol', 'command'))
+ page = Command_page(wizard, self.gui)
+ wizard.add_page(page)
+ wizard.run()
+
+
+ def macro_exec(self, event):
+ """The molmol.macro_exec user function.
+
+ @param event: The wx event.
+ @type event: wx event
+ """
+
+ # Execute the wizard.
+ wizard = Wiz_window(size_x=1000, size_y=750,
title=self.get_title('molmol', 'macro_exec'))
+ page = Macro_exec_page(wizard, self.gui)
+ wizard.add_page(page)
+ wizard.run()
+
+
+ def ribbon(self, event):
+ """The molmol.ribbon user function.
+
+ @param event: The wx event.
+ @type event: wx event
+ """
+
+ # Execute the wizard.
+ wizard = Wiz_window(size_x=700, size_y=400,
title=self.get_title('molmol', 'ribbon'))
+ page = Ribbon_page(wizard, self.gui)
+ wizard.add_page(page, apply_button=False)
+ wizard.run()
+
+
+ def tensor_pdb(self, event):
+ """The molmol.tensor_pdb user function.
+
+ @param event: The wx event.
+ @type event: wx event
+ """
+
+ # Execute the wizard.
+ wizard = Wiz_window(size_x=1000, size_y=700,
title=self.get_title('molmol', 'tensor_pdb'))
+ page = Tensor_pdb_page(wizard, self.gui)
+ wizard.add_page(page, apply_button=False)
+ wizard.run()
+
+
+ def view(self, event):
+ """The molmol.view user function.
+
+ @param event: The wx event.
+ @type event: wx event
+ """
+
+ # Execute the wizard.
+ wizard = Wiz_window(size_x=600, size_y=300,
title=self.get_title('molmol', 'view'))
+ page = View_page(wizard, self.gui)
+ wizard.add_page(page, apply_button=False)
+ wizard.run()
+
+
+ def write(self, event):
+ """The molmol.write user function.
+
+ @param event: The wx event.
+ @type event: wx event
+ """
+
+ # Execute the wizard.
+ wizard = Wiz_window(size_x=1000, size_y=750,
title=self.get_title('molmol', 'write'))
+ page = Write_page(wizard, self.gui)
+ wizard.add_page(page)
+ wizard.run()
+
+
+
+class Clear_history_page(UF_page):
+ """The molmol.clear_history() user function page."""
+
+ # Some class variables.
+ image_path = WIZARD_IMAGE_PATH + 'molmol' + sep + 'molmol_logo.png'
+ uf_path = ['molmol', 'clear_history']
+
+ def add_contents(self, sizer):
+ """Add the specific GUI elements.
+
+ @param sizer: A sizer object.
+ @type sizer: wx.Sizer instance
+ """
+
+
+ def on_execute(self):
+ """Execute the user function."""
+
+ # Execute the user function.
+ self.gui.interpreter.molmol.clear_history()
+
+
+
+class Command_page(UF_page):
+ """The molmol.command() user function page."""
+
+ # Some class variables.
+ image_path = WIZARD_IMAGE_PATH + 'molmol' + sep + 'molmol_logo.png'
+ uf_path = ['molmol', 'command']
+
+ def add_contents(self, sizer):
+ """Add the specific GUI elements.
+
+ @param sizer: A sizer object.
+ @type sizer: wx.Sizer instance
+ """
+
+ # The command.
+ self.command = self.input_field(sizer, "The Molmol command:",
tooltip=self.uf._doc_args_dict['command'])
+
+
+ def on_execute(self):
+ """Execute the user function."""
+
+ # Execute the user function.
+ self.gui.interpreter.molmol.command(command=command)
+
+
+
+class Macro_exec_page(UF_page):
+ """The molmol.macro_exec() user function page."""
+
+ # Some class variables.
+ image_path = WIZARD_IMAGE_PATH + 'molmol' + sep + 'molmol_logo.png'
+ uf_path = ['molmol', 'macro_exec']
+ height_desc = 450
+
+ def add_contents(self, sizer):
+ """Add the specific GUI elements.
+
+ @param sizer: A sizer object.
+ @type sizer: wx.Sizer instance
+ """
+
+ # The data type.
+ self.data_type = self.combo_box(sizer, "The data type:",
choices=['S2', 'S2f', 'S2s', 'amp_fast', 'amp_slow', 'te', 'tf', 'ts',
'time_fast', 'time_slow', 'Rex'], tooltip=self.uf._doc_args_dict['data_type'])
+
+ # The style.
+ self.style = self.input_field(sizer, "The style:",
tooltip=self.uf._doc_args_dict['style'])
+ self.style.SetValue(str_to_gui("classic"))
+
+ # The starting colour.
+ self.colour_start = self.input_field(sizer, "The starting colour:",
tooltip=self.uf._doc_args_dict['colour_start'])
+
+ # The ending colour.
+ self.colour_end = self.input_field(sizer, "The ending colour:",
tooltip=self.uf._doc_args_dict['colour_end'])
+
+ # The colour list.
+ self.colour_list = self.input_field(sizer, "The colour list:",
tooltip=self.uf._doc_args_dict['colour_list'])
+
+
+ def on_execute(self):
+ """Execute the user function."""
+
+ # Get the values.
+ data_type = gui_to_str(self.data_type.GetValue())
+ style = gui_to_str(self.style.GetValue())
+ colour_start = gui_to_str(self.colour_start.GetValue())
+ colour_end = gui_to_str(self.colour_end.GetValue())
+ colour_list = gui_to_str(self.colour_list.GetValue())
+
+ # Execute the user function.
+ self.gui.interpreter.molmol.macro_exec(data_type=data_type,
style=style, colour_start=colour_start, colour_end=colour_end,
colour_list=colour_list)
+
+
+
+class Ribbon_page(UF_page):
+ """The molmol.ribbon() user function page."""
+
+ # Some class variables.
+ image_path = WIZARD_IMAGE_PATH + 'molmol' + sep + 'molmol_logo.png'
+ uf_path = ['molmol', 'ribbon']
+
+ def add_contents(self, sizer):
+ """Add the specific GUI elements.
+
+ @param sizer: A sizer object.
+ @type sizer: wx.Sizer instance
+ """
+
+
+ def on_execute(self):
+ """Execute the user function."""
+
+ # Execute the user function.
+ self.gui.interpreter.molmol.ribbon()
+
+
+
+class Tensor_pdb_page(UF_page):
+ """The molmol.tensor_pdb() user function page."""
+
+ # Some class variables.
+ image_path = WIZARD_IMAGE_PATH + 'molmol' + sep + 'molmol_logo.png'
+ uf_path = ['molmol', 'tensor_pdb']
+ height_desc = 450
+
+ def add_contents(self, sizer):
+ """Add the specific GUI elements.
+
+ @param sizer: A sizer object.
+ @type sizer: wx.Sizer instance
+ """
+
+ # Add a file selection.
+ self.file = self.file_selection(sizer, "The tensor PDB file:",
message="Tensor PDB file selection", style=wx.FD_OPEN,
tooltip=self.uf._doc_args_dict['file'])
+
+
+ def on_execute(self):
+ """Execute the user function."""
+
+ # The file name.
+ file = gui_to_str(self.file.GetValue())
+
+ # No file.
+ if not file:
+ return
+
+ # Execute the user function.
+ self.gui.interpreter.molmol.tensor_pdb(file=file)
+
+
+
+class View_page(UF_page):
+ """The molmol.view() user function page."""
+
+ # Some class variables.
+ image_path = WIZARD_IMAGE_PATH + 'molmol' + sep + 'molmol_logo.png'
+ uf_path = ['molmol', 'view']
+
+ def add_contents(self, sizer):
+ """Add the specific GUI elements.
+
+ @param sizer: A sizer object.
+ @type sizer: wx.Sizer instance
+ """
+
+
+ def on_execute(self):
+ """Execute the user function."""
+
+ # Execute the user function.
+ self.gui.interpreter.molmol.view()
+
+
+
+class Write_page(UF_page):
+ """The molmol.write() user function page."""
+
+ # Some class variables.
+ image_path = WIZARD_IMAGE_PATH + 'molmol' + sep + 'molmol_logo.png'
+ uf_path = ['molmol', 'write']
+ height_desc = 400
+
+ def add_contents(self, sizer):
+ """Add the specific GUI elements.
+
+ @param sizer: A sizer object.
+ @type sizer: wx.Sizer instance
+ """
+
+ # Add a file selection.
+ self.file = self.file_selection(sizer, "The macro file:",
message="Molmol macro file selection", wildcard="Molmol macro files
(*.mac)|*.mac", 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)
+
+ # The data type.
+ self.data_type = self.combo_box(sizer, "The data type:",
choices=['S2', 'S2f', 'S2s', 'amp_fast', 'amp_slow', 'te', 'tf', 'ts','
time_fast', 'time_slow', 'Rex'], tooltip=self.uf._doc_args_dict['data_type'])
+
+ # The style.
+ self.style = self.input_field(sizer, "The style:",
tooltip=self.uf._doc_args_dict['style'])
+ self.style.SetValue(str_to_gui("classic"))
+
+ # The starting colour.
+ self.colour_start = self.input_field(sizer, "The starting colour:",
tooltip=self.uf._doc_args_dict['colour_start'])
+
+ # The ending colour.
+ self.colour_end = self.input_field(sizer, "The ending colour:",
tooltip=self.uf._doc_args_dict['colour_end'])
+
+ # The colour list.
+ self.colour_list = self.input_field(sizer, "The colour list:",
tooltip=self.uf._doc_args_dict['colour_list'])
+
+
+ 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())
+
+ # Get the values.
+ data_type = gui_to_str(self.data_type.GetValue())
+ style = gui_to_str(self.style.GetValue())
+ colour_start = gui_to_str(self.colour_start.GetValue())
+ colour_end = gui_to_str(self.colour_end.GetValue())
+ colour_list = gui_to_str(self.colour_list.GetValue())
+
+ # Execute the user function.
+ self.gui.interpreter.molmol.write(data_type=data_type, style=style,
colour_start=colour_start, colour_end=colour_end, colour_list=colour_list,
file=file, force=force)
r14306 - /branches/gui_testing/gui/user_functions/molmol.py