def __init__(self, gui):
"""Set up the export window.
@param gui: The GUI object.
@type gui: wx.Frame instance
"""
# The window style.
style = wx.DEFAULT_FRAME_STYLE
if not status.debug and status.wx_info["os"] != 'darwin':
style = style | wx.MAXIMIZE
# Initialise the base class, setting the main GUI window as the parent.
super(Export_bmrb_window, self).__init__(gui, -1, style=style)
# Some default values.
self.size = (1200, 900)
self.size_min = (900, 700)
self.border = 5
self.spacer = 10
self.button_size = (200, 40)
self.button_spacing = 10
self.main_spacing = 20
# Set up the frame.
sizer = self.setup_frame()
# Add the header.
self.add_header(sizer)
# Top spacing.
sizer.AddSpacer(10)
# Add the data pipe selection element.
self.add_pipe(sizer)
# Spacing.
sizer.AddSpacer(self.main_spacing)
# Add the relaxation data metadata list GUI element.
self.relax_data = Relax_data_meta_list(parent=self.main_panel, box=sizer, id='BMRB export', proportion=2)
# Spacing.
sizer.AddSpacer(self.main_spacing)
# Add the molecule GUI element.
self.molecule = Molecule(parent=self.main_panel, box=sizer, id='BMRB export', proportion=1)
# Spacing.
sizer.AddSpacer(self.main_spacing)
# Create a horizontal layout for the software, script and citations GUI elements.
sub_sizer = wx.BoxSizer(wx.HORIZONTAL)
# Add the software GUI element.
self.software = Software(parent=self.main_panel, box=sub_sizer, id='BMRB export', proportion=1)
# Vertical spacing.
sub_sizer.AddSpacer(self.main_spacing)
# Add the scripts GUI element.
self.scripts = Scripts(parent=self.main_panel, box=sub_sizer, id='BMRB export', proportion=1)
# Vertical spacing.
sub_sizer.AddSpacer(self.main_spacing)
# Add the citation GUI element.
self.citation = Citations(parent=self.main_panel, box=sub_sizer, id='BMRB export', proportion=1)
# Add the sizer.
sizer.Add(sub_sizer, 2, wx.ALL|wx.EXPAND, 0)
# Bottom spacing.
sizer.AddSpacer(10)
# Add the buttons.
self.add_buttons(sizer)
# Open the window.
if status.show_gui:
self.Show()
def __init__(self, gui):
"""Set up the export window.
@param gui: The GUI object.
@type gui: wx.Frame instance
"""
# The window style.
style = wx.DEFAULT_FRAME_STYLE
if not status.debug and status.wx_info["os"] != 'darwin':
style = style | wx.MAXIMIZE
# Initialise the base class, setting the main GUI window as the parent.
super(Export_bmrb_window, self).__init__(gui, -1, style=style)
# Some default values.
self.size = (1200, 900)
self.size_min = (900, 700)
self.border = 5
self.spacer = 10
self.button_size = (200, 40)
self.button_spacing = 10
self.main_spacing = 20
# Set up the frame.
sizer = self.setup_frame()
# Add the header.
self.add_header(sizer)
# Top spacing.
sizer.AddSpacer(10)
# Add the data pipe selection element.
self.add_pipe(sizer)
# Spacing.
sizer.AddSpacer(self.main_spacing)
# Add the relaxation data metadata list GUI element.
self.relax_data = Relax_data_meta_list(parent=self.main_panel,
box=sizer,
id='BMRB export',
proportion=2)
# Spacing.
sizer.AddSpacer(self.main_spacing)
# Add the molecule GUI element.
self.molecule = Molecule(parent=self.main_panel,
box=sizer,
id='BMRB export',
proportion=1)
# Spacing.
sizer.AddSpacer(self.main_spacing)
# Create a horizontal layout for the software, script and citations GUI elements.
sub_sizer = wx.BoxSizer(wx.HORIZONTAL)
# Add the software GUI element.
self.software = Software(parent=self.main_panel,
box=sub_sizer,
id='BMRB export',
proportion=1)
# Vertical spacing.
sub_sizer.AddSpacer(self.main_spacing)
# Add the scripts GUI element.
self.scripts = Scripts(parent=self.main_panel,
box=sub_sizer,
id='BMRB export',
proportion=1)
# Vertical spacing.
sub_sizer.AddSpacer(self.main_spacing)
# Add the citation GUI element.
self.citation = Citations(parent=self.main_panel,
box=sub_sizer,
id='BMRB export',
proportion=1)
# Add the sizer.
sizer.Add(sub_sizer, 2, wx.ALL | wx.EXPAND, 0)
# Bottom spacing.
sizer.AddSpacer(10)
# Add the buttons.
self.add_buttons(sizer)
# Open the window.
if status.show_gui:
self.Show()
class Export_bmrb_window(wx.Frame):
"""The BMRB export window."""
def __init__(self, gui):
"""Set up the export window.
@param gui: The GUI object.
@type gui: wx.Frame instance
"""
# The window style.
style = wx.DEFAULT_FRAME_STYLE
if not status.debug and status.wx_info["os"] != 'darwin':
style = style | wx.MAXIMIZE
# Initialise the base class, setting the main GUI window as the parent.
super(Export_bmrb_window, self).__init__(gui, -1, style=style)
# Some default values.
self.size = (1200, 900)
self.size_min = (900, 700)
self.border = 5
self.spacer = 10
self.button_size = (200, 40)
self.button_spacing = 10
self.main_spacing = 20
# Set up the frame.
sizer = self.setup_frame()
# Add the header.
self.add_header(sizer)
# Top spacing.
sizer.AddSpacer(10)
# Add the data pipe selection element.
self.add_pipe(sizer)
# Spacing.
sizer.AddSpacer(self.main_spacing)
# Add the relaxation data metadata list GUI element.
self.relax_data = Relax_data_meta_list(parent=self.main_panel, box=sizer, id='BMRB export', proportion=2)
# Spacing.
sizer.AddSpacer(self.main_spacing)
# Add the molecule GUI element.
self.molecule = Molecule(parent=self.main_panel, box=sizer, id='BMRB export', proportion=1)
# Spacing.
sizer.AddSpacer(self.main_spacing)
# Create a horizontal layout for the software, script and citations GUI elements.
sub_sizer = wx.BoxSizer(wx.HORIZONTAL)
# Add the software GUI element.
self.software = Software(parent=self.main_panel, box=sub_sizer, id='BMRB export', proportion=1)
# Vertical spacing.
sub_sizer.AddSpacer(self.main_spacing)
# Add the scripts GUI element.
self.scripts = Scripts(parent=self.main_panel, box=sub_sizer, id='BMRB export', proportion=1)
# Vertical spacing.
sub_sizer.AddSpacer(self.main_spacing)
# Add the citation GUI element.
self.citation = Citations(parent=self.main_panel, box=sub_sizer, id='BMRB export', proportion=1)
# Add the sizer.
sizer.Add(sub_sizer, 2, wx.ALL|wx.EXPAND, 0)
# Bottom spacing.
sizer.AddSpacer(10)
# Add the buttons.
self.add_buttons(sizer)
# Open the window.
if status.show_gui:
self.Show()
def action_cancel(self, event=None):
"""Cancel the export.
@keyword event: The wx event.
@type event: wx event
"""
# Close the window.
self.Close()
def action_export(self, event=None):
"""Write out the NMR-STAR formatted data.
@keyword event: The wx event.
@type event: wx event
"""
# Checks.
missing = self.is_complete()
# Missing data.
if len(missing):
Missing_data(missing, parent=self)
return
# Execute the user function.
uf_store['bmrb.write'](wx_parent=self, wx_wizard_sync=True, wx_wizard_modal=True)
# Close the window.
self.Close()
def action_preview(self, event=None):
"""Preview the NMR-STAR formatted data.
@keyword event: The wx event.
@type event: wx event
"""
# Execute the user function.
uf_store['bmrb.display'](wx_parent=self)
def add_buttons(self, sizer):
"""Build and add the bottom buttons.
@param sizer: The sizer element to pack the buttons into.
@type sizer: wx.Sizer instance
"""
# Button sizer.
button_sizer = wx.BoxSizer(wx.HORIZONTAL)
sizer.Add(button_sizer, 0, wx.ALIGN_RIGHT, 0)
# Preview button.
button = wx.lib.buttons.ThemedGenBitmapTextButton(self.main_panel, -1, None, " Preview")
button.SetBitmapLabel(wx.Bitmap(fetch_icon('oxygen.actions.document-preview', "32x32"), wx.BITMAP_TYPE_ANY))
button.SetFont(font.normal)
button.SetMinSize(self.button_size)
button_sizer.Add(button, 0, 0, 0)
self.Bind(wx.EVT_BUTTON, self.action_preview, button)
button.SetToolTipString("Preview the NMR-STAR formatted data.")
# Spacing.
button_sizer.AddSpacer(self.button_spacing)
# Export button.
button = wx.lib.buttons.ThemedGenBitmapTextButton(self.main_panel, -1, None, " Export")
button.SetBitmapLabel(wx.Bitmap(fetch_icon('relax.bmrb', "32x32"), wx.BITMAP_TYPE_ANY))
button.SetFont(font.normal)
button.SetMinSize(self.button_size)
button_sizer.Add(button, 0, 0, 0)
self.Bind(wx.EVT_BUTTON, self.action_export, button)
button.SetToolTipString("Create the NMR-STAR formatted file for BMRB deposition.")
# Spacing.
button_sizer.AddSpacer(self.button_spacing)
# Cancel button.
button = wx.lib.buttons.ThemedGenBitmapTextButton(self.main_panel, -1, None, " Cancel")
button.SetBitmapLabel(wx.Bitmap(fetch_icon('oxygen.actions.dialog-cancel', "32x32"), wx.BITMAP_TYPE_ANY))
button.SetFont(font.normal)
button.SetMinSize(self.button_size)
button_sizer.Add(button, 0, 0, 0)
self.Bind(wx.EVT_BUTTON, self.action_cancel, button)
button.SetToolTipString("Cancel the BMRB export.")
def add_header(self, sizer):
"""Build and add the header to the sizer.
@param sizer: The sizer element to pack the header into.
@type sizer: wx.Sizer instance
"""
# Create a horizontal layout.
sub_sizer = wx.BoxSizer(wx.HORIZONTAL)
# Left spacing.
sub_sizer.AddStretchSpacer(3)
# Add the BMRB logo (left side).
logo = wx.StaticBitmap(self.main_panel, -1, bitmap_setup(IMAGE_PATH+"bmrb_100x100.png"))
sub_sizer.Add(logo, 0, wx.TOP|wx.ALIGN_CENTER_HORIZONTAL, 0)
# Spacing.
sub_sizer.AddStretchSpacer()
# The text sizer.
text_sizer = wx.BoxSizer(wx.VERTICAL)
# The title.
text = wx.StaticText(self.main_panel, -1, 'Data export for BMRB deposition', style=wx.ALIGN_LEFT)
text.SetFont(font.title)
text_sizer.Add(text, 0, wx.ALIGN_CENTER_HORIZONTAL, 0)
# Spacing.
text_sizer.AddSpacer(15)
# The text.
main_text = 'This wizard will help in executing all of the relevant user functions required to convert the contents of the selected data pipe to the NMR-STAR format for deposition within the BioMagResBank. Note that this is currently only for the deposition of model-free analysis results or simple NMR relaxation data.'
text = wx.StaticText(self.main_panel, -1, main_text, style=wx.ALIGN_LEFT)
text.Wrap(600)
text.SetFont(font.normal)
text_sizer.Add(text, 0, 0, 0)
# Add the text sizer.
sub_sizer.Add(text_sizer, 0, 0, 0)
# Spacing.
sub_sizer.AddStretchSpacer()
# Add the BMRB logo (right side).
logo = wx.StaticBitmap(self.main_panel, -1, bitmap_setup(IMAGE_PATH+"bmrb_100x100.png"))
sub_sizer.Add(logo, 0, wx.TOP|wx.ALIGN_CENTER_HORIZONTAL, 0)
# Right spacing.
sub_sizer.AddStretchSpacer(3)
# Add the sizer.
sizer.Add(sub_sizer, 0, wx.ALL|wx.EXPAND, 0)
# A line with spacing.
sizer.AddSpacer(10)
sizer.Add(wx.StaticLine(self.main_panel, -1), 0, wx.EXPAND|wx.ALL, 0)
sizer.AddSpacer(10)
def add_pipe(self, sizer):
"""Build and add the data pipe selection element.
@param sizer: The sizer element to pack the buttons into.
@type sizer: wx.Sizer instance
"""
# A sizer for the element.
pipe_sizer = wx.BoxSizer(wx.HORIZONTAL)
sizer.Add(pipe_sizer, 0, wx.ALIGN_LEFT, 0)
# The pipe text.
text = wx.StaticText(self.main_panel, -1, ' The data pipe to export: ', style=wx.ALIGN_LEFT)
tooltip = "The name of the data pipe to export to NMR-STAR format for BMRB export."
text.SetFont(font.normal)
text.SetToolTipString(tooltip)
pipe_sizer.Add(text, 0, wx.ALIGN_CENTER_VERTICAL, 0)
# Spacing.
pipe_sizer.AddSpacer(20)
# The pipe selection.
self.pipe_name = wx.ComboBox(self.main_panel, -1, "", style=wx.CB_DROPDOWN|wx.CB_READONLY, choices=[])
self.pipe_name.SetToolTipString(tooltip)
self.Bind(wx.EVT_COMBOBOX, self.update_pipes, self.pipe_name)
pipe_sizer.Add(self.pipe_name, 0, wx.ALIGN_CENTER_VERTICAL, 0)
# Update the pipe selection.
self.update_pipes()
def handler_close(self, event):
"""Event handler for the close window action.
@param event: The wx event.
@type event: wx event
"""
# Unregister the observers.
self.observer_register(remove=True)
# Close the window.
event.Skip()
def is_complete(self):
"""Determine if the data input is complete.
@return: A list of all the missing components.
@rtype: list of str
"""
# Initialise.
missing = []
# Relaxation data metadata.
if hasattr(cdp, 'ri_ids'):
# Loop over the data.
for i in range(len(cdp.ri_ids)):
# Check the peak intensity types.
if not hasattr(cdp, 'exp_info') or not hasattr(cdp.exp_info, 'peak_intensity_type') or not cdp.ri_ids[i] in cdp.exp_info.peak_intensity_type.keys():
missing.append("The peak intensity type for the relaxation data ID '%s'." % cdp.ri_ids[i])
# Check the temperature calibration methods.
if not hasattr(cdp, 'exp_info') or not hasattr(cdp.exp_info, 'temp_calibration') or not cdp.ri_ids[i] in cdp.exp_info.temp_calibration.keys():
missing.append("The temperature calibration method for the relaxation data ID '%s'." % cdp.ri_ids[i])
# Check the temperature control methods.
if not hasattr(cdp, 'exp_info') or not hasattr(cdp.exp_info, 'temp_control') or not cdp.ri_ids[i] in cdp.exp_info.temp_control.keys():
missing.append("The temperature control method for the relaxation data ID '%s'." % cdp.ri_ids[i])
# Loop over the molecules.
for mol, mol_id in molecule_loop(return_id=True):
# No name.
if mol.name == None:
missing.append("The name of the molecule for %s." % mol_id)
continue
# No molecule type.
if not hasattr(mol, 'type') or mol.type == None:
missing.append("The type of the molecule %s." % mol_id)
# No thiol state.
if not hasattr(cdp, 'exp_info') or not hasattr(cdp.exp_info, 'thiol_state'):
missing.append("The thiol state of the molecule %s." % mol_id)
# Return the list of missing data.
return missing
def observer_register(self, remove=False):
"""Register and unregister methods with the observer objects.
@keyword remove: If set to True, then the methods will be unregistered.
@type remove: False
"""
# Register.
if not remove:
status.observers.pipe_alteration.register('BMRB export', self.update_pipes, method_name='update_pipes')
# Unregister.
else:
# The class methods.
status.observers.pipe_alteration.unregister('BMRB export')
# The embedded objects methods.
self.relax_data.observer_register(remove=True)
self.molecule.observer_register(remove=True)
self.software.observer_register(remove=True)
self.scripts.observer_register(remove=True)
self.citation.observer_register(remove=True)
def setup_frame(self):
"""Set up the relax controller frame.
@return: The sizer object.
@rtype: wx.Sizer instance
"""
# Set the frame title.
self.SetTitle("BMRB export window")
# Set up the window icon.
self.SetIcons(relax_icons)
# Place all elements within a panel (to remove the dark grey in MS Windows).
self.main_panel = wx.Panel(self, -1)
# Use a grid sizer for packing the main elements.
main_sizer = wx.BoxSizer(wx.VERTICAL)
self.main_panel.SetSizer(main_sizer)
# Build the central sizer, with borders.
sizer = add_border(main_sizer, border=self.border, packing=wx.VERTICAL)
# Close the window cleanly (unregistering observers).
self.Bind(wx.EVT_CLOSE, self.handler_close)
# Set the default size of the controller.
self.SetSize(self.size)
self.SetMinSize(self.size_min)
# Centre the frame.
self.Centre()
# Return the central sizer.
return sizer
def update_pipes(self, event=None):
"""Update the spin view data pipe selector.
@keyword event: The wx event.
@type event: wx event
"""
# Change the cursor to busy.
wx.BeginBusyCursor()
# Init.
pipe_switch = False
# The selected pipe.
if event:
# The name of the selected pipe.
pipe = gui_to_str(self.pipe_name.GetString(event.GetSelection()))
# A pipe change.
if pipe != cdp_name():
pipe_switch = True
else:
pipe = cdp_name()
if not pipe:
pipe = ''
# Clear the previous data.
self.pipe_name.Clear()
# The list of pipe names.
for name in pipe_names():
self.pipe_name.Append(str_to_gui(name))
# Switch data pipes.
if pipe_switch:
switch(pipe)
# Set the pipe name to the cdp.
self.pipe_name.SetValue(str_to_gui(pipe))
# Reset the cursor.
if wx.IsBusy():
wx.EndBusyCursor()
class Export_bmrb_window(wx.Frame):
"""The BMRB export window."""
def __init__(self, gui):
"""Set up the export window.
@param gui: The GUI object.
@type gui: wx.Frame instance
"""
# The window style.
style = wx.DEFAULT_FRAME_STYLE
if not status.debug and status.wx_info["os"] != 'darwin':
style = style | wx.MAXIMIZE
# Initialise the base class, setting the main GUI window as the parent.
super(Export_bmrb_window, self).__init__(gui, -1, style=style)
# Some default values.
self.size = (1200, 900)
self.size_min = (900, 700)
self.border = 5
self.spacer = 10
self.button_size = (200, 40)
self.button_spacing = 10
self.main_spacing = 20
# Set up the frame.
sizer = self.setup_frame()
# Add the header.
self.add_header(sizer)
# Top spacing.
sizer.AddSpacer(10)
# Add the data pipe selection element.
self.add_pipe(sizer)
# Spacing.
sizer.AddSpacer(self.main_spacing)
# Add the relaxation data metadata list GUI element.
self.relax_data = Relax_data_meta_list(parent=self.main_panel,
box=sizer,
id='BMRB export',
proportion=2)
# Spacing.
sizer.AddSpacer(self.main_spacing)
# Add the molecule GUI element.
self.molecule = Molecule(parent=self.main_panel,
box=sizer,
id='BMRB export',
proportion=1)
# Spacing.
sizer.AddSpacer(self.main_spacing)
# Create a horizontal layout for the software, script and citations GUI elements.
sub_sizer = wx.BoxSizer(wx.HORIZONTAL)
# Add the software GUI element.
self.software = Software(parent=self.main_panel,
box=sub_sizer,
id='BMRB export',
proportion=1)
# Vertical spacing.
sub_sizer.AddSpacer(self.main_spacing)
# Add the scripts GUI element.
self.scripts = Scripts(parent=self.main_panel,
box=sub_sizer,
id='BMRB export',
proportion=1)
# Vertical spacing.
sub_sizer.AddSpacer(self.main_spacing)
# Add the citation GUI element.
self.citation = Citations(parent=self.main_panel,
box=sub_sizer,
id='BMRB export',
proportion=1)
# Add the sizer.
sizer.Add(sub_sizer, 2, wx.ALL | wx.EXPAND, 0)
# Bottom spacing.
sizer.AddSpacer(10)
# Add the buttons.
self.add_buttons(sizer)
# Open the window.
if status.show_gui:
self.Show()
def action_cancel(self, event=None):
"""Cancel the export.
@keyword event: The wx event.
@type event: wx event
"""
# Close the window.
self.Close()
def action_export(self, event=None):
"""Write out the NMR-STAR formatted data.
@keyword event: The wx event.
@type event: wx event
"""
# Checks.
missing = self.is_complete()
# Missing data.
if len(missing):
Missing_data(missing, parent=self)
return
# Execute the user function.
uf_store['bmrb.write'](wx_parent=self,
wx_wizard_sync=True,
wx_wizard_modal=True)
# Close the window.
self.Close()
def action_preview(self, event=None):
"""Preview the NMR-STAR formatted data.
@keyword event: The wx event.
@type event: wx event
"""
# Execute the user function.
uf_store['bmrb.display'](wx_parent=self)
def add_buttons(self, sizer):
"""Build and add the bottom buttons.
@param sizer: The sizer element to pack the buttons into.
@type sizer: wx.Sizer instance
"""
# Button sizer.
button_sizer = wx.BoxSizer(wx.HORIZONTAL)
sizer.Add(button_sizer, 0, wx.ALIGN_RIGHT, 0)
# Preview button.
button = wx.lib.buttons.ThemedGenBitmapTextButton(
self.main_panel, -1, None, " Preview")
button.SetBitmapLabel(
wx.Bitmap(fetch_icon('oxygen.actions.document-preview', "32x32"),
wx.BITMAP_TYPE_ANY))
button.SetFont(font.normal)
button.SetMinSize(self.button_size)
button_sizer.Add(button, 0, 0, 0)
self.Bind(wx.EVT_BUTTON, self.action_preview, button)
button.SetToolTipString("Preview the NMR-STAR formatted data.")
# Spacing.
button_sizer.AddSpacer(self.button_spacing)
# Export button.
button = wx.lib.buttons.ThemedGenBitmapTextButton(
self.main_panel, -1, None, " Export")
button.SetBitmapLabel(
wx.Bitmap(fetch_icon('relax.bmrb', "32x32"), wx.BITMAP_TYPE_ANY))
button.SetFont(font.normal)
button.SetMinSize(self.button_size)
button_sizer.Add(button, 0, 0, 0)
self.Bind(wx.EVT_BUTTON, self.action_export, button)
button.SetToolTipString(
"Create the NMR-STAR formatted file for BMRB deposition.")
# Spacing.
button_sizer.AddSpacer(self.button_spacing)
# Cancel button.
button = wx.lib.buttons.ThemedGenBitmapTextButton(
self.main_panel, -1, None, " Cancel")
button.SetBitmapLabel(
wx.Bitmap(fetch_icon('oxygen.actions.dialog-cancel', "32x32"),
wx.BITMAP_TYPE_ANY))
button.SetFont(font.normal)
button.SetMinSize(self.button_size)
button_sizer.Add(button, 0, 0, 0)
self.Bind(wx.EVT_BUTTON, self.action_cancel, button)
button.SetToolTipString("Cancel the BMRB export.")
def add_header(self, sizer):
"""Build and add the header to the sizer.
@param sizer: The sizer element to pack the header into.
@type sizer: wx.Sizer instance
"""
# Create a horizontal layout.
sub_sizer = wx.BoxSizer(wx.HORIZONTAL)
# Left spacing.
sub_sizer.AddStretchSpacer(3)
# Add the BMRB logo (left side).
logo = wx.StaticBitmap(self.main_panel, -1,
bitmap_setup(IMAGE_PATH + "bmrb_100x100.png"))
sub_sizer.Add(logo, 0, wx.TOP | wx.ALIGN_CENTER_HORIZONTAL, 0)
# Spacing.
sub_sizer.AddStretchSpacer()
# The text sizer.
text_sizer = wx.BoxSizer(wx.VERTICAL)
# The title.
text = wx.StaticText(self.main_panel,
-1,
'Data export for BMRB deposition',
style=wx.ALIGN_LEFT)
text.SetFont(font.title)
text_sizer.Add(text, 0, wx.ALIGN_CENTER_HORIZONTAL, 0)
# Spacing.
text_sizer.AddSpacer(15)
# The text.
main_text = 'This wizard will help in executing all of the relevant user functions required to convert the contents of the selected data pipe to the NMR-STAR format for deposition within the BioMagResBank. Note that this is currently only for the deposition of model-free analysis results or simple NMR relaxation data.'
text = wx.StaticText(self.main_panel,
-1,
main_text,
style=wx.ALIGN_LEFT)
text.Wrap(600)
text.SetFont(font.normal)
text_sizer.Add(text, 0, 0, 0)
# Add the text sizer.
sub_sizer.Add(text_sizer, 0, 0, 0)
# Spacing.
sub_sizer.AddStretchSpacer()
# Add the BMRB logo (right side).
logo = wx.StaticBitmap(self.main_panel, -1,
bitmap_setup(IMAGE_PATH + "bmrb_100x100.png"))
sub_sizer.Add(logo, 0, wx.TOP | wx.ALIGN_CENTER_HORIZONTAL, 0)
# Right spacing.
sub_sizer.AddStretchSpacer(3)
# Add the sizer.
sizer.Add(sub_sizer, 0, wx.ALL | wx.EXPAND, 0)
# A line with spacing.
sizer.AddSpacer(10)
sizer.Add(wx.StaticLine(self.main_panel, -1), 0, wx.EXPAND | wx.ALL, 0)
sizer.AddSpacer(10)
def add_pipe(self, sizer):
"""Build and add the data pipe selection element.
@param sizer: The sizer element to pack the buttons into.
@type sizer: wx.Sizer instance
"""
# A sizer for the element.
pipe_sizer = wx.BoxSizer(wx.HORIZONTAL)
sizer.Add(pipe_sizer, 0, wx.ALIGN_LEFT, 0)
# The pipe text.
text = wx.StaticText(self.main_panel,
-1,
' The data pipe to export: ',
style=wx.ALIGN_LEFT)
tooltip = "The name of the data pipe to export to NMR-STAR format for BMRB export."
text.SetFont(font.normal)
text.SetToolTipString(tooltip)
pipe_sizer.Add(text, 0, wx.ALIGN_CENTER_VERTICAL, 0)
# Spacing.
pipe_sizer.AddSpacer(20)
# The pipe selection.
self.pipe_name = wx.ComboBox(self.main_panel,
-1,
"",
style=wx.CB_DROPDOWN | wx.CB_READONLY,
choices=[])
self.pipe_name.SetToolTipString(tooltip)
self.Bind(wx.EVT_COMBOBOX, self.update_pipes, self.pipe_name)
pipe_sizer.Add(self.pipe_name, 0, wx.ALIGN_CENTER_VERTICAL, 0)
# Update the pipe selection.
self.update_pipes()
def handler_close(self, event):
"""Event handler for the close window action.
@param event: The wx event.
@type event: wx event
"""
# Unregister the observers.
self.observer_register(remove=True)
# Close the window.
event.Skip()
def is_complete(self):
"""Determine if the data input is complete.
@return: A list of all the missing components.
@rtype: list of str
"""
# Initialise.
missing = []
# Relaxation data metadata.
if hasattr(cdp, 'ri_ids'):
# Loop over the data.
for i in range(len(cdp.ri_ids)):
# Check the peak intensity types.
if not hasattr(cdp, 'exp_info') or not hasattr(
cdp.exp_info, 'peak_intensity_type'
) or not cdp.ri_ids[i] in cdp.exp_info.peak_intensity_type:
missing.append(
"The peak intensity type for the relaxation data ID '%s'."
% cdp.ri_ids[i])
# Check the temperature calibration methods.
if not hasattr(cdp, 'exp_info') or not hasattr(
cdp.exp_info, 'temp_calibration'
) or not cdp.ri_ids[i] in cdp.exp_info.temp_calibration:
missing.append(
"The temperature calibration method for the relaxation data ID '%s'."
% cdp.ri_ids[i])
# Check the temperature control methods.
if not hasattr(cdp, 'exp_info') or not hasattr(
cdp.exp_info, 'temp_control'
) or not cdp.ri_ids[i] in cdp.exp_info.temp_control:
missing.append(
"The temperature control method for the relaxation data ID '%s'."
% cdp.ri_ids[i])
# Loop over the molecules.
for mol, mol_id in molecule_loop(return_id=True):
# No name.
if mol.name == None:
missing.append("The name of the molecule for %s." % mol_id)
continue
# No molecule type.
if not hasattr(mol, 'type') or mol.type == None:
missing.append("The type of the molecule %s." % mol_id)
# No thiol state.
if not hasattr(cdp, 'exp_info') or not hasattr(
cdp.exp_info, 'thiol_state'):
missing.append("The thiol state of the molecule %s." % mol_id)
# Return the list of missing data.
return missing
def observer_register(self, remove=False):
"""Register and unregister methods with the observer objects.
@keyword remove: If set to True, then the methods will be unregistered.
@type remove: False
"""
# Register.
if not remove:
status.observers.pipe_alteration.register(
'BMRB export', self.update_pipes, method_name='update_pipes')
# Unregister.
else:
# The class methods.
status.observers.pipe_alteration.unregister('BMRB export')
# The embedded objects methods.
self.relax_data.observer_register(remove=True)
self.molecule.observer_register(remove=True)
self.software.observer_register(remove=True)
self.scripts.observer_register(remove=True)
self.citation.observer_register(remove=True)
def setup_frame(self):
"""Set up the relax controller frame.
@return: The sizer object.
@rtype: wx.Sizer instance
"""
# Set the frame title.
self.SetTitle("BMRB export window")
# Set up the window icon.
self.SetIcons(relax_icons)
# Place all elements within a panel (to remove the dark grey in MS Windows).
self.main_panel = wx.Panel(self, -1)
# Use a grid sizer for packing the main elements.
main_sizer = wx.BoxSizer(wx.VERTICAL)
self.main_panel.SetSizer(main_sizer)
# Build the central sizer, with borders.
sizer = add_border(main_sizer, border=self.border, packing=wx.VERTICAL)
# Close the window cleanly (unregistering observers).
self.Bind(wx.EVT_CLOSE, self.handler_close)
# Set the default size of the controller.
self.SetSize(self.size)
self.SetMinSize(self.size_min)
# Centre the frame.
self.Centre()
# Return the central sizer.
return sizer
def update_pipes(self, event=None):
"""Update the spin view data pipe selector.
@keyword event: The wx event.
@type event: wx event
"""
# Change the cursor to busy.
wx.BeginBusyCursor()
# Init.
pipe_switch = False
# The selected pipe.
if event:
# The name of the selected pipe.
pipe = gui_to_str(self.pipe_name.GetString(event.GetSelection()))
# A pipe change.
if pipe != cdp_name():
pipe_switch = True
else:
pipe = cdp_name()
if not pipe:
pipe = ''
# Clear the previous data.
self.pipe_name.Clear()
# The list of pipe names.
for name in pipe_names():
self.pipe_name.Append(str_to_gui(name))
# Switch data pipes.
if pipe_switch:
switch(pipe)
# Set the pipe name to the cdp.
self.pipe_name.SetValue(str_to_gui(pipe))
# Reset the cursor.
if wx.IsBusy():
wx.EndBusyCursor()
