Author: bugman
Date: Mon Dec 13 17:24:59 2010
New Revision: 11785
URL: http://svn.gna.org/viewcvs/relax?rev=11785&view=rev
Log:
Created the spin.create and spin.delete user function windows and menus.
Added:
branches/bieri_gui/gui_bieri/user_functions/spin.py
- copied, changed from r11782,
branches/bieri_gui/gui_bieri/user_functions/molecule.py
Modified:
branches/bieri_gui/gui_bieri/menu.py
branches/bieri_gui/gui_bieri/user_functions/__init__.py
branches/bieri_gui/gui_bieri/user_functions/base.py
Modified: branches/bieri_gui/gui_bieri/menu.py
URL:
http://svn.gna.org/viewcvs/relax/branches/bieri_gui/gui_bieri/menu.py?rev=11785&r1=11784&r2=11785&view=diff
==============================================================================
--- branches/bieri_gui/gui_bieri/menu.py (original)
+++ branches/bieri_gui/gui_bieri/menu.py Mon Dec 13 17:24:59 2010
@@ -199,7 +199,11 @@
[id_base + 101, "&create", paths.icon_16x16.add,
self.gui.user_functions.pipes.create],
[id_base + 102, "&delete", paths.icon_16x16.cancel,
self.gui.user_functions.pipes.delete]
]],
- [id_base + 200, "&script", paths.icon_16x16.uf_script,
self.gui.user_functions.script.run, []]
+ [id_base + 200, "&script", paths.icon_16x16.uf_script,
self.gui.user_functions.script.run, []],
+ [id_base + 100, "&spin", paths.icon_16x16.spin, None, [
+ [id_base + 101, "&create", paths.icon_16x16.add,
self.gui.user_functions.spin.add],
+ [id_base + 102, "&delete", paths.icon_16x16.cancel,
self.gui.user_functions.spin.delete]
+ ]],
]
# Build.
Modified: branches/bieri_gui/gui_bieri/user_functions/__init__.py
URL:
http://svn.gna.org/viewcvs/relax/branches/bieri_gui/gui_bieri/user_functions/__init__.py?rev=11785&r1=11784&r2=11785&view=diff
==============================================================================
--- branches/bieri_gui/gui_bieri/user_functions/__init__.py (original)
+++ branches/bieri_gui/gui_bieri/user_functions/__init__.py Mon Dec 13
17:24:59 2010
@@ -30,13 +30,15 @@
from molecule import Molecule
from pipes import Pipes
from script import Script
+from spin import Spin
# The package __all__ list.
__all__ = ['base',
'molecule',
'pipes',
- 'script']
+ 'script',
+ 'spin']
class User_functions:
@@ -57,6 +59,7 @@
self.molecule = Molecule(self.gui, self.interpreter)
self.pipes = Pipes(self.gui, self.interpreter)
self.script = Script(self.gui, self.interpreter)
+ self.spin = Spin(self.gui, self.interpreter)
def destroy(self):
@@ -65,3 +68,4 @@
# Send the commands onwards to the user function classes.
self.molecule.destroy()
self.pipes.destroy()
+ self.spin.destroy()
Modified: branches/bieri_gui/gui_bieri/user_functions/base.py
URL:
http://svn.gna.org/viewcvs/relax/branches/bieri_gui/gui_bieri/user_functions/base.py?rev=11785&r1=11784&r2=11785&view=diff
==============================================================================
--- branches/bieri_gui/gui_bieri/user_functions/base.py (original)
+++ branches/bieri_gui/gui_bieri/user_functions/base.py Mon Dec 13 17:24:59
2010
@@ -326,7 +326,7 @@
sizer.AddStretchSpacer()
- def combo_box(self, sizer, desc, choices):
+ def combo_box(self, sizer, desc, choices, evt_fn=None):
"""Build the combo box element for list selections.
@param sizer: The sizer to put the input field into.
@@ -335,6 +335,8 @@
@type desc: str
@param choices: The list of choices.
@type choices: list of str
+ @param evt_fn: The event handling function.
+ @type evt_fn: func
"""
# Init.
@@ -354,6 +356,10 @@
# Add to the main sizer (followed by stretchable spacing).
sizer.Add(sub_sizer)
sizer.AddStretchSpacer()
+
+ # Bind events.
+ if evt_fn:
+ self.Bind(wx.EVT_COMBOBOX, evt_fn, combo)
# Return the combo box element.
return combo
Copied: branches/bieri_gui/gui_bieri/user_functions/spin.py (from r11782,
branches/bieri_gui/gui_bieri/user_functions/molecule.py)
URL:
http://svn.gna.org/viewcvs/relax/branches/bieri_gui/gui_bieri/user_functions/spin.py?p2=branches/bieri_gui/gui_bieri/user_functions/spin.py&p1=branches/bieri_gui/gui_bieri/user_functions/molecule.py&r1=11782&r2=11785&rev=11785&view=diff
==============================================================================
--- branches/bieri_gui/gui_bieri/user_functions/molecule.py (original)
+++ branches/bieri_gui/gui_bieri/user_functions/spin.py Mon Dec 13 17:24:59
2010
@@ -21,13 +21,14 @@
###############################################################################
# Module docstring.
-"""The molecule user function GUI elements."""
+"""The spin user function GUI elements."""
# Python module imports.
+from string import split
import wx
# relax module imports.
-from generic_fns.mol_res_spin import ALLOWED_MOL_TYPES, molecule_loop
+from generic_fns.mol_res_spin import molecule_loop, residue_loop, spin_loop
from generic_fns import pipes
# GUI module imports.
@@ -36,7 +37,7 @@
# The container class.
-class Molecule(UF_base):
+class Spin(UF_base):
"""The container class for holding all GUI elements."""
def setup(self):
@@ -48,7 +49,7 @@
def add(self, event):
- """The molecule.add user function.
+ """The spin.add user function.
@param event: The wx event.
@type event: wx event
@@ -58,7 +59,7 @@
def delete(self, event):
- """The molecule.delete user function.
+ """The spin.delete user function.
@param event: The wx event.
@type event: wx event
@@ -76,77 +77,144 @@
class Add_window(UF_window):
- """The molecule.add() user function window."""
+ """The spin.add() user function window."""
# Some class variables.
size_x = 600
size_y = 400
- frame_title = 'Add a molecule'
- image_path = WIZARD_IMAGE_PATH + 'molecule.png'
- main_text = 'This dialog allows you to add new molecules to the relax
data store. The molecule will be added to the current data pipe.'
- title = 'Addition of new molecules'
+ frame_title = 'Add a spin'
+ image_path = WIZARD_IMAGE_PATH + 'spin.png'
+ main_text = 'This dialog allows you to add new spins to the relax data
store. The spin will be added to the current data pipe.'
+ title = 'Addition of new spins'
+
+
+ def _update_residues(self, event):
+ """Update the residue combo box.
+
+ @param event: The wx event.
+ @type event: wx event
+ """
+
+ # Clear the previous data.
+ self.res.Clear()
+
+ # Clear the text.
+ self.res.SetValue('')
+
+ # The list of residue names.
+ mol_id = '#' + str(self.mol.GetValue())
+ for res in residue_loop(mol_id):
+ self.res.Append("%s %s" % (res.num, res.name))
def add_uf(self, sizer):
- """Add the molecule specific GUI elements.
+ """Add the spin specific GUI elements.
@param sizer: A sizer object.
@type sizer: wx.Sizer instance
"""
- # The molecule name input.
- self.mol_name = self.input_field(sizer, "The name of the molecule:")
+ # Molecule and residue selections.
+ self.mol = self.combo_box(sizer, "The molecule:", [],
self._update_residues)
+ self.res = self.combo_box(sizer, "The residue:", [])
+
+ # The spin name input.
+ self.spin_name = self.input_field(sizer, "The name of the spin:")
# The type selection.
- self.mol_type = self.combo_box(sizer, "The type of molecule:", ['']
+ ALLOWED_MOL_TYPES)
+ self.spin_num = self.input_field(sizer, "The spin number:")
def execute(self):
"""Execute the user function."""
- # Get the name and type.
- mol_name = str(self.mol_name.GetValue())
- mol_type = str(self.mol_type.GetValue())
+ # Get the spin info.
+ mol_name = str(self.mol.GetValue())
+ if mol_name == '':
+ mol_name = None
+
+ # The residue info.
+ res = str(self.res.GetValue())
+ res_num, res_name = split(res)
+ if res_name == '':
+ res_name = None
+ if res_num == '':
+ res_num = None
+ else:
+ res_num = int(res_num)
+
+ # The spin number.
+ spin_num = str(self.spin_num.GetValue())
+ if spin_num == '':
+ spin_num = None
+ else:
+ spin_num = int(spin_num)
+
+ # The spin name.
+ spin_name = str(self.spin_name.GetValue())
+ if spin_num == '':
+ spin_num = None
# Set the name.
- self.interpreter.molecule.create(mol_name=mol_name, type=mol_type)
+ self.interpreter.spin.create(spin_name=spin_name, spin_num=spin_num,
res_name=res_name, res_num=res_num, mol_name=mol_name)
+
+
+ def update(self, event):
+ """Update the UI.
+
+ @param event: The wx event.
+ @type event: wx event
+ """
+
+ # Clear the previous data.
+ self.mol.Clear()
+ self.res.Clear()
+
+ # Clear the text.
+ self.mol.SetValue('')
+ self.res.SetValue('')
+
+ # The list of molecule names.
+ if pipes.cdp_name():
+ for mol in molecule_loop():
+ self.mol.Append(mol.name)
class Delete_window(UF_window):
- """The molecule.delete() user function window."""
+ """The spin.delete() user function window."""
# Some class variables.
size_x = 600
size_y = 400
- frame_title = 'Delete a molecule'
- image_path = WIZARD_IMAGE_PATH + 'molecule.png'
- main_text = 'This dialog allows you to delete molecules from the relax
data store. The molecule will be deleted from the current data pipe.'
- title = 'Molecule deletion'
+ frame_title = 'Delete a spin'
+ image_path = WIZARD_IMAGE_PATH + 'spin.png'
+ main_text = 'This dialog allows you to delete spins from the relax data
store. The spin will be deleted from the current data pipe.'
+ title = 'Spin deletion'
def add_uf(self, sizer):
- """Add the molecule specific GUI elements.
+ """Add the spin specific GUI elements.
@param sizer: A sizer object.
@type sizer: wx.Sizer instance
"""
- # The molecule selection.
- self.mol_name = self.combo_box(sizer, "The molecule:", [])
+ # The spin selection.
+ self.spin_name = self.combo_box(sizer, "The spin:", [])
def execute(self):
"""Execute the user function."""
# Get the name.
- mol_name = str(self.mol_name.GetValue())
-
- # The molecule ID.
- id = '#' + mol_name
-
- # Delete the molecule.
- self.interpreter.molecule.delete(mol_id=id)
+ spin_name = str(self.spin_name.GetValue())
+
+ # The spin ID.
+ id = '#' + spin_name
+
+ # Delete the spin.
+ self.interpreter.spin.delete(spin_id=id)
# Update.
self.update(None)
@@ -160,12 +228,12 @@
"""
# Clear the previous data.
- self.mol_name.Clear()
-
- # Clear the molecule name.
- self.mol_name.SetValue('')
-
- # The list of molecule names.
+ self.spin_name.Clear()
+
+ # Clear the spin name.
+ self.spin_name.SetValue('')
+
+ # The list of spin names.
if pipes.cdp_name():
- for mol in molecule_loop():
- self.mol_name.Append(mol.name)
+ for spin in spin_loop():
+ self.spin_name.Append(spin.name)
r11785 - in /branches/bieri_gui/gui_bieri: menu.py user_functions/__init__.py user_functions/base.py user_functions/spin.py