Author: bugman
Date: Thu Jul 14 16:21:41 2011
New Revision: 13623
URL: http://svn.gna.org/viewcvs/relax?rev=13623&view=rev
Log:
Implemented the noe user function GUI pages and menu entries.
Added:
branches/gui_testing/gui/user_functions/noe.py
- copied, changed from r13607,
branches/gui_testing/gui/user_functions/relax_data.py
Modified:
branches/gui_testing/gui/menu.py
branches/gui_testing/gui/user_functions/__init__.py
Modified: branches/gui_testing/gui/menu.py
URL:
http://svn.gna.org/viewcvs/relax/branches/gui_testing/gui/menu.py?rev=13623&r1=13622&r2=13623&view=diff
==============================================================================
--- branches/gui_testing/gui/menu.py (original)
+++ branches/gui_testing/gui/menu.py Thu Jul 14 16:21:41 2011
@@ -211,6 +211,10 @@
[wx.NewId(), "crea&te", paths.icon_16x16.add,
self.gui.user_functions.molecule.create],
[wx.NewId(), "&delete", paths.icon_16x16.remove,
self.gui.user_functions.molecule.delete]
]],
+ [wx.NewId(), "&noe", None, None, [
+ [wx.NewId(), "&read_restraints", paths.icon_16x16.open,
self.gui.user_functions.noe.read_restraints],
+ [wx.NewId(), "&spectrum_type", None,
self.gui.user_functions.noe.spectrum_type]
+ ]],
[wx.NewId(), "&pipe", paths.icon_16x16.pipe, None, [
[wx.NewId(), "©", paths.icon_16x16.copy,
self.gui.user_functions.pipes.copy],
[wx.NewId(), "crea&te", paths.icon_16x16.add,
self.gui.user_functions.pipes.create],
Modified: branches/gui_testing/gui/user_functions/__init__.py
URL:
http://svn.gna.org/viewcvs/relax/branches/gui_testing/gui/user_functions/__init__.py?rev=13623&r1=13622&r2=13623&view=diff
==============================================================================
--- branches/gui_testing/gui/user_functions/__init__.py (original)
+++ branches/gui_testing/gui/user_functions/__init__.py Thu Jul 14 16:21:41
2011
@@ -29,6 +29,7 @@
# GUI module imports.
from deselect import Deselect
from molecule import Molecule
+from noe import Noe
from pipes import Pipes
from residue import Residue
from relax_data import Relax_data
@@ -45,6 +46,7 @@
__all__ = ['base',
'deselect',
'molecule',
+ 'noe',
'pipes',
'residue',
'relax_data',
@@ -72,6 +74,7 @@
# The user functions.
self.deselect = Deselect(self.gui)
self.molecule = Molecule(self.gui)
+ self.noe = Noe(self.gui)
self.pipes = Pipes(self.gui)
self.residue = Residue(self.gui)
self.relax_data = Relax_data(self.gui)
@@ -90,6 +93,7 @@
# Send the commands onwards to the user function classes.
self.deselect.destroy()
self.molecule.destroy()
+ self.noe.destroy()
self.pipes.destroy()
self.residue.destroy()
self.relax_data.destroy()
Copied: branches/gui_testing/gui/user_functions/noe.py (from r13607,
branches/gui_testing/gui/user_functions/relax_data.py)
URL:
http://svn.gna.org/viewcvs/relax/branches/gui_testing/gui/user_functions/noe.py?p2=branches/gui_testing/gui/user_functions/noe.py&p1=branches/gui_testing/gui/user_functions/relax_data.py&r1=13607&r2=13623&rev=13623&view=diff
==============================================================================
--- branches/gui_testing/gui/user_functions/relax_data.py (original)
+++ branches/gui_testing/gui/user_functions/noe.py Thu Jul 14 16:21:41 2011
@@ -21,9 +21,10 @@
###############################################################################
# Module docstring.
-"""The relaxation data user function GUI elements."""
+"""The noe user function GUI elements."""
# Python module imports.
+from os import sep
from string import split
# relax module imports.
@@ -31,127 +32,76 @@
# GUI module imports.
from base import UF_base, UF_page
-from gui.paths import WIZARD_IMAGE_PATH
+from gui.paths import ANALYSIS_IMAGE_PATH
from gui.misc import gui_to_float, gui_to_int, gui_to_str
from gui.wizard import Wiz_window
# The container class.
-class Relax_data(UF_base):
+class Noe(UF_base):
"""The container class for holding all GUI elements."""
- def delete(self, event):
- """The relax_data.delete user function.
+ def read_restraints(self, event):
+ """The noe.read_restraints 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('relax_data', 'delete'))
- page = Delete_page(wizard, self.gui)
+ wizard = Wiz_window(size_x=800, size_y=600,
title=self.get_title('noe', 'read_restraints'))
+ page = Read_restraints_page(wizard, self.gui)
wizard.add_page(page)
wizard.run()
- def read(self, event):
- """The relax_data.read user function.
+ def spectrum_type(self, event):
+ """The noe.spectrum_type user function.
@param event: The wx event.
@type event: wx event
"""
# Execute the wizard.
- wizard = Wiz_window(size_x=1000, size_y=800,
title=self.get_title('relax_data', 'read'))
- page = Read_page(wizard, self.gui)
+ wizard = Wiz_window(size_x=800, size_y=600,
title=self.get_title('noe', 'spectrum_type'))
+ page = Spectrum_type_page(wizard, self.gui)
wizard.add_page(page)
wizard.run()
-class Delete_page(UF_page):
- """The relax_data.read() user function page."""
+class Read_restraints_page(UF_page):
+ """The noe.read_restraints() user function page."""
# Some class variables.
- image_path = WIZARD_IMAGE_PATH + 'fid.png'
- uf_path = ['relax_data', 'delete']
+ image_path = ANALYSIS_IMAGE_PATH + 'noe_200x200.png'
+ uf_path = ['noe', 'read_restraints']
def add_contents(self, sizer):
- """Add the relaxation data deletion specific GUI elements.
-
- @param sizer: A sizer object.
- @type sizer: wx.Sizer instance
- """
-
- # The ID.
- self.ri_id = self.combo_box(sizer, "The relaxation data ID:",
tooltip=self.uf._doc_args_dict['ri_id'])
-
-
- def on_execute(self):
- """Execute the user function."""
-
- # The labels and frq.
- ri_id = gui_to_str(self.ri_id.GetValue())
-
- # Read the relaxation data.
- self.gui.interpreter.relax_data.delete(ri_id=ri_id)
-
-
- def on_display(self):
- """Clear previous data and update the label lists."""
-
- # Clear the previous data.
- self.ri_id.Clear()
-
- # No data, so don't try to fill the combo boxes.
- if not hasattr(cdp, 'ri_ids'):
- return
-
- # The relaxation data IDs.
- for i in range(len(cdp.ri_ids)):
- self.ri_id.Append(cdp.ri_ids[i])
-
-
-
-class Read_page(UF_page):
- """The relax_data.read() user function page."""
-
- # Some class variables.
- desc_height = 180
- image_path = WIZARD_IMAGE_PATH + 'fid.png'
- uf_path = ['relax_data', 'read']
-
- def add_contents(self, sizer):
- """Add the relaxation data reading specific GUI elements.
+ """Add the page specific GUI elements.
@param sizer: A sizer object.
@type sizer: wx.Sizer instance
"""
# Add a file selection.
- self.file = self.file_selection(sizer, "The relaxation data file:",
title="Relaxation data file selection",
tooltip=self.uf._doc_args_dict['file'])
+ self.file = self.file_selection(sizer, "The restraint file:",
title="Restraint file selection", tooltip=self.uf._doc_args_dict['file'])
- # The labels.
- self.ri_id = self.input_field(sizer, "The relaxation data ID:",
tooltip=self.uf._doc_args_dict['ri_id'])
- self.ri_type = self.combo_box(sizer, "The relaxation data type:",
choices=['R1', 'R2', 'NOE'], tooltip=self.uf._doc_args_dict['ri_type'])
+ # The columns.
+ self.proton1_col = self.input_field(sizer, "The 1st proton column:",
tooltip=self.uf._doc_args_dict['proton1_col'])
+ self.proton2_col = self.input_field(sizer, "The 2nd proton column:",
tooltip=self.uf._doc_args_dict['proton2_col'])
+ self.lower_col = self.input_field(sizer, "The lower bound column:",
tooltip=self.uf._doc_args_dict['lower_col'])
+ self.upper_col = self.input_field(sizer, "The upper bound column:",
tooltip=self.uf._doc_args_dict['upper_col'])
- # The frequency.
- self.frq = self.input_field(sizer, "The proton frequency in Hz:",
tooltip=self.uf._doc_args_dict['frq'])
+ # The column separator.
+ self.sep = self.combo_box(sizer, "Column separator:", ["white
space", ",", ";", ":", ""], read_only=False)
- # The spin ID restriction.
- self.spin_id = self.spin_id_element(sizer, desc="Restrict data
loading to certain spins:")
-
- # The parameter file settings.
- self.free_file_format(sizer, data_cols=True, padding=5, spacer=0)
+ # Spacing.
+ sizer.AddStretchSpacer()
def on_execute(self):
"""Execute the user function."""
-
- # The labels and frq.
- ri_id = gui_to_str(self.ri_id.GetValue())
- ri_type = gui_to_str(self.ri_type.GetValue())
- frq = gui_to_float(self.frq.GetValue())
# The file name.
file = gui_to_str(self.file.GetValue())
@@ -161,22 +111,70 @@
return
# 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())
- data_col = gui_to_int(self.data_col.GetValue())
- err_col = gui_to_int(self.err_col.GetValue())
+ proton1_col = gui_to_int(self.proton1_col.GetValue())
+ proton2_col = gui_to_int(self.proton2_col.GetValue())
+ lower_col = gui_to_int(self.lower_col.GetValue())
+ upper_col = gui_to_int(self.upper_col.GetValue())
# 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())
+ # Read the NOESY data.
+ self.gui.interpreter.noe.read_restraints(file=file,
proton1_col=proton1_col, proton2_col=proton2_col, lower_col=lower_col,
upper_col=upper_col, sep=sep)
+
+
+
+class Spectrum_type_page(UF_page):
+ """The noe.spectrum_type() user function page."""
+
+ # Some class variables.
+ image_path = ANALYSIS_IMAGE_PATH + 'noe_200x200.png'
+ uf_path = ['noe', 'spectrum_type']
+
+ def add_contents(self, sizer):
+ """Add the page specific GUI elements.
+
+ @param sizer: A sizer object.
+ @type sizer: wx.Sizer instance
+ """
+
+ # The spectrum type.
+ self.spectrum_type = self.combo_box(sizer, "The spectrum type:",
tooltip=self.uf._doc_args_dict['spectrum_type'], choices=['Saturated
spectrum', 'Reference spectrum'])
+ self.spectrum_type.SetClientData(0, 'sat')
+ self.spectrum_type.SetClientData(1, 'ref')
+
+ # The spectrum ID.
+ self.spectrum_id = self.combo_box(sizer, "The spectrum ID:",
tooltip=self.uf._doc_args_dict['spectrum_id'])
+
+ # Spacing.
+ sizer.AddStretchSpacer()
+
+
+ def on_execute(self):
+ """Execute the user function."""
+
+ # The values.
+ spectrum_type =
gui_to_str(self.spectrum_type.GetClientData(self.spectrum_type.GetSelection()))
+
+ # The spectrum ID.
+ spectrum_id = gui_to_str(self.spectrum_id.GetValue())
# Read the relaxation data.
- self.gui.interpreter.relax_data.read(ri_id=ri_id, ri_type=ri_type,
frq=frq, file=file, 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, data_col=data_col,
error_col=err_col, sep=sep, spin_id=spin_id)
+ self.gui.interpreter.noe.spectrum_type(spectrum_type=spectrum_type,
spectrum_id=spectrum_id)
+
+
+ def on_display(self):
+ """Clear previous data and update the spectrum ID list."""
+
+ # Clear the previous data.
+ self.spectrum_id.Clear()
+
+ # No data, so don't try to fill the combo box.
+ if not hasattr(cdp, 'spectrum_ids'):
+ return
+
+ # The spectrum IDs.
+ for i in range(len(cdp.spectrum_ids)):
+ self.spectrum_id.Append(cdp.spectrum_ids[i])
r13623 - in /branches/gui_testing/gui: menu.py user_functions/__init__.py user_functions/noe.py