Author: bugman
Date: Thu Dec 30 13:00:19 2010
New Revision: 12035
URL: http://svn.gna.org/viewcvs/relax?rev=12035&view=rev
Log:
Added the sequence.read user function window and menu entries.
Added:
branches/bieri_gui/gui_bieri/user_functions/sequence.py
- copied, changed from r12018,
branches/bieri_gui/gui_bieri/user_functions/spin.py
Modified:
branches/bieri_gui/gui_bieri/menu.py
branches/bieri_gui/gui_bieri/user_functions/__init__.py
Modified: branches/bieri_gui/gui_bieri/menu.py
URL:
http://svn.gna.org/viewcvs/relax/branches/bieri_gui/gui_bieri/menu.py?rev=12035&r1=12034&r2=12035&view=diff
==============================================================================
--- branches/bieri_gui/gui_bieri/menu.py (original)
+++ branches/bieri_gui/gui_bieri/menu.py Thu Dec 30 13:00:19 2010
@@ -205,7 +205,10 @@
[wx.NewId(), "&create", paths.icon_16x16.add,
self.gui.user_functions.residue.create],
[wx.NewId(), "&delete", paths.icon_16x16.remove,
self.gui.user_functions.residue.delete]
]],
- [wx.NewId(), "&script", paths.icon_16x16.uf_script,
self.gui.user_functions.script.run, []],
+ [wx.NewId(), "s&cript", paths.icon_16x16.uf_script,
self.gui.user_functions.script.run, []],
+ [wx.NewId(), "se&quence", paths.icon_16x16.sequence, None, [
+ [wx.NewId(), "&read", paths.icon_16x16.open,
self.gui.user_functions.sequence.read]
+ ]],
[wx.NewId(), "&spin", paths.icon_16x16.spin, None, [
[wx.NewId(), "&create", paths.icon_16x16.add,
self.gui.user_functions.spin.create],
[wx.NewId(), "&delete", paths.icon_16x16.remove,
self.gui.user_functions.spin.delete]
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=12035&r1=12034&r2=12035&view=diff
==============================================================================
--- branches/bieri_gui/gui_bieri/user_functions/__init__.py (original)
+++ branches/bieri_gui/gui_bieri/user_functions/__init__.py Thu Dec 30
13:00:19 2010
@@ -31,6 +31,7 @@
from pipes import Pipes
from residue import Residue
from script import Script
+from sequence import Sequence
from spin import Spin
@@ -40,6 +41,7 @@
'pipes',
'residue',
'script',
+ 'sequence',
'spin']
@@ -62,6 +64,7 @@
self.pipes = Pipes(self.gui, self.interpreter)
self.residue = Residue(self.gui, self.interpreter)
self.script = Script(self.gui, self.interpreter)
+ self.sequence = Sequence(self.gui, self.interpreter)
self.spin = Spin(self.gui, self.interpreter)
@@ -72,4 +75,5 @@
self.molecule.destroy()
self.pipes.destroy()
self.residue.destroy()
+ self.sequence.destroy()
self.spin.destroy()
Copied: branches/bieri_gui/gui_bieri/user_functions/sequence.py (from r12018,
branches/bieri_gui/gui_bieri/user_functions/spin.py)
URL:
http://svn.gna.org/viewcvs/relax/branches/bieri_gui/gui_bieri/user_functions/sequence.py?p2=branches/bieri_gui/gui_bieri/user_functions/sequence.py&p1=branches/bieri_gui/gui_bieri/user_functions/spin.py&r1=12018&r2=12035&rev=12035&view=diff
==============================================================================
--- branches/bieri_gui/gui_bieri/user_functions/spin.py (original)
+++ branches/bieri_gui/gui_bieri/user_functions/sequence.py Thu Dec 30
13:00:19 2010
@@ -21,235 +21,97 @@
###############################################################################
# Module docstring.
-"""The spin user function GUI elements."""
+"""The sequence user function GUI elements."""
# Python module imports.
from string import split
import wx
# relax module imports.
-from generic_fns.mol_res_spin import molecule_loop, residue_loop, spin_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
+from gui_bieri.misc import gui_to_int, gui_to_str
# The container class.
-class Spin(UF_base):
+class Sequence(UF_base):
"""The container class for holding all GUI elements."""
- def create(self, event, mol_name=None, res_num=None, res_name=None):
- """The spin.create user function.
+ def read(self, event):
+ """The sequence.delete user function.
@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
"""
# Initialise the dialog.
- self._create_window = Create_window(self.gui, self.interpreter)
+ self._read_window = Read_window(self.gui, self.interpreter)
# Show the dialog.
- self._create_window.ShowModal()
-
- # 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))
+ self._read_window.ShowModal()
# Destroy.
- self._create_window.Destroy()
-
-
- 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 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
- """
-
- # Initialise the dialog.
- self._delete_window = Delete_window(self.gui, self.interpreter)
-
- # Show the dialog.
- self._delete_window.ShowModal()
-
- # 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))
-
- # Destroy.
- self._delete_window.Destroy()
+ self._read_window.Destroy()
-class Create_window(UF_window, Mol_res_spin):
- """The spin.create() user function window."""
+class Read_window(UF_window):
+ """The sequence.delete() user function window."""
# Some class variables.
- size_x = 600
- size_y = 400
- 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'
+ size_x = 800
+ size_y = 600
+ frame_title = 'Read the spin sequence from a file'
+ image_path = WIZARD_IMAGE_PATH + 'sequence.png'
+ main_text = 'This dialog allows you to read the molecule, residue, and
spin information from a file.'
+ title = 'Sequence reading'
+
def add_uf(self, sizer):
- """Add the spin specific GUI elements.
+ """Add the sequence specific GUI elements.
@param sizer: A sizer object.
@type sizer: wx.Sizer instance
"""
- # Molecule and residue selections.
- self.mol = self.combo_box(sizer, "The molecule:", [],
self._update_residues)
- self.res = self.combo_box(sizer, "The residue:", [])
+ # Add a file selection.
+ self.file = self.file_selection(sizer, "The sequence file:")
- # The spin name input.
- self.spin_name = self.input_field(sizer, "The name of the spin:")
+ # The parameter file settings.
+ self.spin_id_col, self.mol_name_col, self.res_num_col,
self.res_name_col, self.spin_num_col, self.spin_name_col, self.sep =
self.free_file_format(sizer)
- # The type selection.
- self.spin_num = self.input_field(sizer, "The spin number:")
+ # The spin ID restriction.
+ self.spin_id = self.input_field(sizer, "Restrict data loading to
certain spins:", tooltip="This must be a valid spin ID. Multiple spins can
be selected using ranges, the '|' operator, residue ranges, etc.")
def execute(self):
"""Execute the user function."""
- # Get the molecule info.
- mol_name = str(self.mol.GetValue())
- if mol_name == '':
- mol_name = None
+ # The file name.
+ file = gui_to_str(self.file.GetValue())
- # The residue info.
- res_num, res_name = self._get_res_info()
-
- # 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.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, Mol_res_spin):
- """The spin.delete() user function window."""
-
- # Some class variables.
- size_x = 600
- size_y = 400
- 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 spin specific GUI elements.
-
- @param sizer: A sizer object.
- @type sizer: wx.Sizer instance
- """
-
- # 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 spin ID.
- id = self._get_spin_id()
-
- # Nothing to do.
- if not id:
+ # No file.
+ if not file:
return
- # Delete the spin.
- self.interpreter.spin.delete(spin_id=id)
+ # Get the column numbers.
+ spin_id_col = gui_to_int(self.spin_id_col.GetValue())
+ mol_name_col = gui_to_int(self.mol_name_col.GetValue())
+ res_num_col = gui_to_int(self.res_num_col.GetValue())
+ res_name_col = gui_to_int(self.res_name_col.GetValue())
+ spin_num_col = gui_to_int(self.spin_num_col.GetValue())
+ spin_name_col = gui_to_int(self.spin_name_col.GetValue())
- # Update the spin list.
- self._update_spins(None)
+ # The column separator.
+ sep = str(self.sep.GetValue())
+ if sep == 'white space':
+ sep = None
+ # The spin ID.
+ spin_id = gui_to_str(self.spin_id.GetValue())
- 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()
- 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 mol in molecule_loop():
- self.mol.Append(mol.name)
+ # Read the sequence.
+ self.interpreter.sequence.read(file=file, dir=dir,
spin_id_col=spin_id_col, mol_name_col=mol_name_col, res_num_col=res_num_col,
res_name_col=res_name_col, spin_num_col=spin_num_col,
spin_name_col=spin_name_col, sep=sep, spin_id=spin_id)
r12035 - in /branches/bieri_gui/gui_bieri: menu.py user_functions/__init__.py user_functions/sequence.py