Author: bugman
Date: Mon Dec 13 23:45:59 2010
New Revision: 11794
URL: http://svn.gna.org/viewcvs/relax?rev=11794&view=rev
Log:
The molecule, residue, and spin user functions have been standardised on the
Mol_res_spin base class.
Modified:
branches/bieri_gui/gui_bieri/user_functions/molecule.py
branches/bieri_gui/gui_bieri/user_functions/residue.py
branches/bieri_gui/gui_bieri/user_functions/spin.py
Modified: branches/bieri_gui/gui_bieri/user_functions/molecule.py
URL:
http://svn.gna.org/viewcvs/relax/branches/bieri_gui/gui_bieri/user_functions/molecule.py?rev=11794&r1=11793&r2=11794&view=diff
==============================================================================
--- branches/bieri_gui/gui_bieri/user_functions/molecule.py (original)
+++ branches/bieri_gui/gui_bieri/user_functions/molecule.py Mon Dec 13
23:45:59 2010
@@ -27,7 +27,7 @@
import wx
# relax module imports.
-from generic_fns.mol_res_spin import ALLOWED_MOL_TYPES, molecule_loop
+from generic_fns.mol_res_spin import ALLOWED_MOL_TYPES, generate_spin_id,
molecule_loop
from generic_fns import pipes
# GUI module imports.
@@ -57,14 +57,21 @@
self._create_window.Show()
- def delete(self, event):
+ def delete(self, event, mol_name=None):
"""The molecule.delete user function.
@param event: The wx event.
@type event: wx event
+ @param mol_name: The starting molecule name.
+ @type mol_name: str
"""
+ # Show the dialog.
self._delete_window.Show()
+
+ # Default molecule name.
+ if mol_name:
+ self._delete_window.mol.SetValue(mol_name)
def destroy(self):
@@ -95,7 +102,7 @@
"""
# The molecule name input.
- self.mol_name = self.input_field(sizer, "The name of the molecule:")
+ self.mol = self.input_field(sizer, "The name of the molecule:")
# The type selection.
self.mol_type = self.combo_box(sizer, "The type of molecule:", ['']
+ ALLOWED_MOL_TYPES)
@@ -105,7 +112,7 @@
"""Execute the user function."""
# Get the name and type.
- mol_name = str(self.mol_name.GetValue())
+ mol_name = str(self.mol.GetValue())
mol_type = str(self.mol_type.GetValue())
# Set the name.
@@ -133,17 +140,17 @@
"""
# The molecule selection.
- self.mol_name = self.combo_box(sizer, "The molecule:", [])
+ self.mol = self.combo_box(sizer, "The molecule:", [])
def execute(self):
"""Execute the user function."""
# Get the name.
- mol_name = str(self.mol_name.GetValue())
+ mol_name = str(self.mol.GetValue())
# The molecule ID.
- id = '#' + mol_name
+ id = generate_spin_id(mol_name=mol_name)
# Delete the molecule.
self.interpreter.molecule.delete(mol_id=id)
@@ -160,12 +167,12 @@
"""
# Clear the previous data.
- self.mol_name.Clear()
+ self.mol.Clear()
# Clear the molecule name.
- self.mol_name.SetValue('')
+ self.mol.SetValue('')
# The list of molecule names.
if pipes.cdp_name():
for mol in molecule_loop():
- self.mol_name.Append(mol.name)
+ self.mol.Append(mol.name)
Modified: branches/bieri_gui/gui_bieri/user_functions/residue.py
URL:
http://svn.gna.org/viewcvs/relax/branches/bieri_gui/gui_bieri/user_functions/residue.py?rev=11794&r1=11793&r2=11794&view=diff
==============================================================================
--- branches/bieri_gui/gui_bieri/user_functions/residue.py (original)
+++ branches/bieri_gui/gui_bieri/user_functions/residue.py Mon Dec 13
23:45:59 2010
@@ -28,12 +28,13 @@
import wx
# relax module imports.
-from generic_fns.mol_res_spin import molecule_loop, residue_loop
+from generic_fns.mol_res_spin import generate_spin_id, molecule_loop,
residue_loop
from generic_fns import pipes
# GUI module imports.
from base import UF_base, UF_window
from gui_bieri.paths import WIZARD_IMAGE_PATH
+from gui_bieri.user_functions.mol_res_spin import Mol_res_spin
# The container class.
@@ -44,28 +45,50 @@
"""Place all the GUI classes into this class for storage."""
# The dialogs.
- self._create_window = Add_window(self.gui, self.interpreter)
+ self._create_window = Create_window(self.gui, self.interpreter)
self._delete_window = Delete_window(self.gui, self.interpreter)
- def create(self, event):
+ def create(self, event, mol_name=None):
"""The residue.create user function.
- @param event: The wx event.
- @type event: wx event
- """
-
+ @param event: The wx event.
+ @type event: wx event
+ @param mol_name: The starting molecule name.
+ @type mol_name: str
+ """
+
+ # Show the dialog.
self._create_window.Show()
-
- def delete(self, event):
+ # Default molecule name.
+ if mol_name:
+ self._create_window.mol.SetValue(mol_name)
+
+
+ def delete(self, event, mol_name=None, res_num=None, res_name=None):
"""The residue.delete user function.
- @param event: The wx event.
- @type event: wx event
- """
-
+ @param event: The wx event.
+ @type event: wx event
+ @param mol_name: The starting molecule name.
+ @type mol_name: str
+ @param res_num: The starting residue number.
+ @type res_num: str
+ @param res_name: The starting residue name.
+ @type res_name: str
+ """
+
+ # Show the dialog.
self._delete_window.Show()
+
+ # Default molecule name.
+ if mol_name:
+ self._delete_window.mol.SetValue(mol_name)
+
+ # Default residue.
+ if res_num or res_name:
+ self._delete_window.res.SetValue("%s %s" % (res_num, res_name))
def destroy(self):
@@ -76,7 +99,7 @@
-class Add_window(UF_window):
+class Create_window(UF_window, Mol_res_spin):
"""The residue.create() user function window."""
# Some class variables.
@@ -149,7 +172,7 @@
-class Delete_window(UF_window):
+class Delete_window(UF_window, Mol_res_spin):
"""The residue.delete() user function window."""
# Some class variables.
@@ -160,7 +183,6 @@
main_text = 'This dialog allows you to delete residues from the relax
data store. The residue will be deleted from the current data pipe.'
title = 'Residue deletion'
-
def add_uf(self, sizer):
"""Add the residue specific GUI elements.
@@ -169,23 +191,25 @@
"""
# The residue selection.
- self.res_name = self.combo_box(sizer, "The residue:", [])
+ self.mol = self.combo_box(sizer, "The molecule:", [],
self._update_residues)
+ self.res = self.combo_box(sizer, "The residue:", [])
def execute(self):
"""Execute the user function."""
- # Get the name.
- res_name = str(self.res_name.GetValue())
-
# The residue ID.
- id = ':' + res_name
+ id = self._get_res_id()
+
+ # Nothing to do.
+ if not id:
+ return
# Delete the residue.
self.interpreter.residue.delete(res_id=id)
# Update.
- self.update(None)
+ self._update_residues(None)
def update(self, event):
@@ -196,12 +220,14 @@
"""
# Clear the previous data.
- self.res_name.Clear()
-
- # Clear the residue name.
- self.res_name.SetValue('')
-
- # The list of residue names.
+ 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 res in res_loop():
- self.res_name.Append(res.name)
+ for mol in molecule_loop():
+ self.mol.Append(mol.name)
Modified: branches/bieri_gui/gui_bieri/user_functions/spin.py
URL:
http://svn.gna.org/viewcvs/relax/branches/bieri_gui/gui_bieri/user_functions/spin.py?rev=11794&r1=11793&r2=11794&view=diff
==============================================================================
--- branches/bieri_gui/gui_bieri/user_functions/spin.py (original)
+++ branches/bieri_gui/gui_bieri/user_functions/spin.py Mon Dec 13 23:45:59
2010
@@ -34,6 +34,7 @@
# GUI module imports.
from base import UF_base, UF_window
from gui_bieri.paths import WIZARD_IMAGE_PATH
+from gui_bieri.user_functions.mol_res_spin import Mol_res_spin
# The container class.
@@ -44,28 +45,66 @@
"""Place all the GUI classes into this class for storage."""
# The dialogs.
- self._create_window = Add_window(self.gui, self.interpreter)
+ self._create_window = Create_window(self.gui, self.interpreter)
self._delete_window = Delete_window(self.gui, self.interpreter)
- def create(self, event):
+ def create(self, event, mol_name=None, res_num=None, res_name=None):
"""The spin.create user function.
- @param event: The wx event.
- @type event: wx event
- """
-
+ @param event: The wx event.
+ @type event: wx event
+ @param mol_name: The starting molecule name.
+ @type mol_name: str
+ @param res_num: The starting residue number.
+ @type res_num: str
+ @param res_name: The starting residue name.
+ @type res_name: str
+ """
+
+ # Show the dialog.
self._create_window.Show()
-
- def delete(self, event):
+ # Default molecule name.
+ if mol_name:
+ self._create_window.mol.SetValue(mol_name)
+
+ # Default residue.
+ if res_num or res_name:
+ self._create_window.res.SetValue("%s %s" % (res_num, res_name))
+
+
+ def delete(self, event, mol_name=None, res_num=None, res_name=None,
spin_num=None, spin_name=None):
"""The spin.delete user function.
- @param event: The wx event.
- @type event: wx event
- """
-
+ @param event: The wx event.
+ @type event: wx event
+ @param mol_name: The starting molecule name.
+ @type mol_name: str
+ @param res_num: The starting residue number.
+ @type res_num: str
+ @param res_name: The starting residue name.
+ @type res_name: str
+ @param spin_num: The starting spin number.
+ @type spin_num: str
+ @param spin_name: The starting spin name.
+ @type spin_name: str
+ """
+
+ # Show the dialog.
self._delete_window.Show()
+
+ # Default molecule name.
+ if mol_name:
+ self._delete_window.mol.SetValue(mol_name)
+
+ # Default residue.
+ if res_num or res_name:
+ self._delete_window.res.SetValue("%s %s" % (res_num, res_name))
+
+ # Default spin.
+ if spin_num or spin_name:
+ self._delete_window.spin.SetValue("%s %s" % (spin_num,
spin_name))
def destroy(self):
@@ -76,7 +115,7 @@
-class Add_window(UF_window):
+class Create_window(UF_window, Mol_res_spin):
"""The spin.create() user function window."""
# Some class variables.
@@ -87,26 +126,6 @@
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 spin specific GUI elements.
@@ -128,20 +147,13 @@
def execute(self):
"""Execute the user function."""
- # Get the spin info.
+ # Get the molecule 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)
+ res_num, res_name = self._get_res_info()
# The spin number.
spin_num = str(self.spin_num.GetValue())
@@ -181,7 +193,7 @@
-class Delete_window(UF_window):
+class Delete_window(UF_window, Mol_res_spin):
"""The spin.delete() user function window."""
# Some class variables.
@@ -200,24 +212,27 @@
@type sizer: wx.Sizer instance
"""
- # The spin selection.
- self.spin_name = self.combo_box(sizer, "The spin:", [])
+ # Molecule, residue and spin selections.
+ self.mol = self.combo_box(sizer, "The molecule:", [],
self._update_residues)
+ self.res = self.combo_box(sizer, "The residue:", [],
self._update_spins)
+ self.spin = self.combo_box(sizer, "The spin:", [])
def execute(self):
"""Execute the user function."""
- # Get the name.
- spin_name = str(self.spin_name.GetValue())
-
- # The spin ID.
- id = '@' + spin_name
+ # Get the spin ID.
+ id = self._get_spin_id()
+
+ # Nothing to do.
+ if not id:
+ return
# Delete the spin.
self.interpreter.spin.delete(spin_id=id)
- # Update.
- self.update(None)
+ # Update the spin list.
+ self._update_spins(None)
def update(self, event):
@@ -228,12 +243,16 @@
"""
# Clear the previous data.
- self.spin_name.Clear()
-
- # Clear the spin name.
- self.spin_name.SetValue('')
-
- # The list of spin names.
+ self.mol.Clear()
+ self.res.Clear()
+ self.spin.Clear()
+
+ # Clear the text.
+ self.mol.SetValue('')
+ self.res.SetValue('')
+ self.spin.SetValue('')
+
+ # The list of molecule names.
if pipes.cdp_name():
- for spin in spin_loop():
- self.spin_name.Append(spin.name)
+ for mol in molecule_loop():
+ self.mol.Append(mol.name)
r11794 - in /branches/bieri_gui/gui_bieri/user_functions: molecule.py residue.py spin.py