Author: bugman
Date: Thu Jun 7 18:40:12 2012
New Revision: 16737
URL: http://svn.gna.org/viewcvs/relax?rev=16737&view=rev
Log:
Created a GUI element for listing and setting molecule attributes.
This will be used in the BMRB export window.
Added:
branches/uf_redesign/gui/components/molecule.py
- copied, changed from r16729,
branches/uf_redesign/gui/components/relax_data_meta.py
Modified:
branches/uf_redesign/gui/components/__init__.py
Modified: branches/uf_redesign/gui/components/__init__.py
URL:
http://svn.gna.org/viewcvs/relax/branches/uf_redesign/gui/components/__init__.py?rev=16737&r1=16736&r2=16737&view=diff
==============================================================================
--- branches/uf_redesign/gui/components/__init__.py (original)
+++ branches/uf_redesign/gui/components/__init__.py Thu Jun 7 18:40:12 2012
@@ -27,6 +27,7 @@
__all__ = ['conversion',
'grid',
'menu',
+ 'molecule',
'relax_data',
'relax_data_meta',
'spectrum']
Copied: branches/uf_redesign/gui/components/molecule.py (from r16729,
branches/uf_redesign/gui/components/relax_data_meta.py)
URL:
http://svn.gna.org/viewcvs/relax/branches/uf_redesign/gui/components/molecule.py?p2=branches/uf_redesign/gui/components/molecule.py&p1=branches/uf_redesign/gui/components/relax_data_meta.py&r1=16729&r2=16737&rev=16737&view=diff
==============================================================================
--- branches/uf_redesign/gui/components/relax_data_meta.py (original)
+++ branches/uf_redesign/gui/components/molecule.py Thu Jun 7 18:40:12 2012
@@ -22,13 +22,15 @@
###############################################################################
# Module docstring.
-"""Module containing the classes for GUI components involving relaxation
data."""
+"""Module containing the classes for GUI components involving molecules."""
# Python module imports.
import wx
import wx.lib.buttons
# relax module imports.
+from generic_fns.mol_res_spin import count_molecules, molecule_loop,
return_molecule
+
from graphics import fetch_icon
from status import Status; status = Status()
from user_functions.data import Uf_info; uf_info = Uf_info()
@@ -37,22 +39,21 @@
from gui.components.menu import build_menu_item
from gui.fonts import font
from gui.misc import add_border
-from gui.string_conv import float_to_gui, gui_to_str, str_to_gui
+from gui.string_conv import gui_to_str, str_to_gui
from gui.uf_objects import Uf_storage; uf_store = Uf_storage()
-class Relax_data_meta_list:
- """The GUI element for listing loaded relaxation data."""
+class Molecule:
+ """The GUI element for listing loaded molecules."""
# Some IDs for the menu entries.
- MENU_RELAX_DATA_DISPLAY = wx.NewId()
- MENU_RELAX_DATA_PEAK_INTENSITY_TYPE = wx.NewId()
- MENU_RELAX_DATA_TEMP_CALIBRATION = wx.NewId()
- MENU_RELAX_DATA_TEMP_CONTROL = wx.NewId()
+ MENU_BMRB_THIOL_STATE = wx.NewId()
+ MENU_MOLECULE_NAME = wx.NewId()
+ MENU_MOLECULE_TYPE = wx.NewId()
def __init__(self, parent=None, box=None, id=None, stretch=False):
- """Build the relaxation data list GUI element.
+ """Build the molecule list GUI element.
@keyword parent: The parent GUI element that this is to be
attached to (the panel object).
@type parent: wx object
@@ -107,22 +108,14 @@
self.build_element()
# Initialise observer name.
- self.name = 'relaxation metadata list: %s' % id
+ self.name = 'molecule: %s' % id
# Register the element for updating when a user function completes.
self.observer_register()
- def Enable(self, enable=True):
- """Enable or disable the element.
-
- @keyword enable: The flag specifying if the element should be
enabled or disabled.
- @type enable: bool
- """
-
-
- def action_relax_data_display(self, event):
- """Launch the relax_data.display user function.
+ def action_bmrb_thiol_state(self, event):
+ """Launch the bmrb.thiol_state user function.
@param event: The wx event.
@type event: wx event
@@ -131,15 +124,37 @@
# The current selection.
item = self.element.GetFirstSelected()
+ # The current state.
+ state = None
+ if hasattr(cdp, 'exp_info') and hasattr(cdp.exp_info, 'thiol_state'):
+ state = cdp.exp_info.thiol_state
+
+ # Launch the dialog.
+ if state == None:
+ uf_store['bmrb.thiol_state'](wx_parent=self.parent)
+ else:
+ uf_store['bmrb.thiol_state'](wx_parent=self.parent, state=state)
+
+
+ def action_molecule_name(self, event):
+ """Launch the molecule.name user function.
+
+ @param event: The wx event.
+ @type event: wx event
+ """
+
+ # The current selection.
+ item = self.element.GetFirstSelected()
+
# The spectrum ID.
id = gui_to_str(self.element.GetItemText(item))
# Launch the dialog.
- uf_store['relax_data.display'](wx_parent=self.parent, ri_id=id)
-
-
- def action_relax_data_peak_intensity_type(self, event):
- """Launch the relax_data.peak_intensity_type user function.
+ uf_store['molecule.name'](wx_parent=self.parent, mol_id=id)
+
+
+ def action_molecule_type(self, event):
+ """Launch the molecule.type user function.
@param event: The wx event.
@type event: wx event
@@ -153,68 +168,19 @@
# The current type.
type = None
- if hasattr(cdp, 'exp_info') and hasattr(cdp.exp_info,
'peak_intensity_type') and id in cdp.exp_info.peak_intensity_type.keys():
- type = cdp.exp_info.peak_intensity_type[id]
+ mol = return_molecule(id)
+ if hasattr(mol, 'type') and mol.type != None:
+ type = mol.type
# Launch the dialog.
if type == None:
-
uf_store['relax_data.peak_intensity_type'](wx_parent=self.parent, ri_id=id)
- else:
-
uf_store['relax_data.peak_intensity_type'](wx_parent=self.parent, ri_id=id,
type=type)
-
-
- def action_relax_data_temp_calibration(self, event):
- """Launch the relax_data.temp_calibration user function.
-
- @param event: The wx event.
- @type event: wx event
- """
-
- # The current selection.
- item = self.element.GetFirstSelected()
-
- # The spectrum ID.
- id = gui_to_str(self.element.GetItemText(item))
-
- # The current method.
- method = None
- if hasattr(cdp, 'exp_info') and hasattr(cdp.exp_info,
'temp_calibration') and id in cdp.exp_info.temp_calibration.keys():
- method = cdp.exp_info.temp_calibration[id]
-
- # Launch the dialog.
- if method == None:
- uf_store['relax_data.temp_calibration'](wx_parent=self.parent,
ri_id=id)
- else:
- uf_store['relax_data.temp_calibration'](wx_parent=self.parent,
ri_id=id, method=method)
-
-
- def action_relax_data_temp_control(self, event):
- """Launch the relax_data.temp_control user function.
-
- @param event: The wx event.
- @type event: wx event
- """
-
- # The current selection.
- item = self.element.GetFirstSelected()
-
- # The spectrum ID.
- id = gui_to_str(self.element.GetItemText(item))
-
- # The current method.
- method = None
- if hasattr(cdp, 'exp_info') and hasattr(cdp.exp_info,
'temp_control') and id in cdp.exp_info.temp_control.keys():
- method = cdp.exp_info.temp_control[id]
-
- # Launch the dialog.
- if method == None:
- uf_store['relax_data.temp_control'](wx_parent=self.parent,
ri_id=id)
- else:
- uf_store['relax_data.temp_control'](wx_parent=self.parent,
ri_id=id, method=method)
+ uf_store['molecule.type'](wx_parent=self.parent, mol_id=id)
+ else:
+ uf_store['molecule.type'](wx_parent=self.parent, mol_id=id,
type=type)
def build_element(self):
- """Build the relaxation data listing grid."""
+ """Build the molecule listing grid."""
# Execution lock, so do nothing.
if status.exec_lock.locked():
@@ -236,29 +202,27 @@
# Delete the previous data.
self.element.DeleteAllItems()
- # Expand the number of rows to match the number of relaxation IDs,
and add the IDs.
- n = 0
- if hasattr(cdp, 'ri_ids'):
- # The number of IDs.
- n = len(cdp.ri_ids)
-
- # Add all the data.
- for i in range(n):
- # Set the IDs.
- id = cdp.ri_ids[i]
- self.element.InsertStringItem(i, str_to_gui(id))
-
- # Set the peak intensity types.
- if hasattr(cdp, 'exp_info') and hasattr(cdp.exp_info,
'peak_intensity_type') and id in cdp.exp_info.peak_intensity_type.keys():
- self.element.SetStringItem(i, 1,
str_to_gui(cdp.exp_info.peak_intensity_type[id]))
-
- # Set the temperature calibration methods.
- if hasattr(cdp, 'exp_info') and hasattr(cdp.exp_info,
'temp_calibration') and id in cdp.exp_info.temp_calibration.keys():
- self.element.SetStringItem(i, 2,
str_to_gui(cdp.exp_info.temp_calibration[id]))
-
- # Set the temperature control methods.
- if hasattr(cdp, 'exp_info') and hasattr(cdp.exp_info,
'temp_control') and id in cdp.exp_info.temp_control.keys():
- self.element.SetStringItem(i, 3,
str_to_gui(cdp.exp_info.temp_control[id]))
+ # Expand the number of rows to match the number of molecules, and
add the data.
+ n = count_molecules()
+ i = 0
+ for mol, mol_id in molecule_loop(return_id=True):
+ # Set the index.
+ self.element.InsertStringItem(i, str_to_gui(mol_id))
+
+ # Set the molecule name.
+ if mol.name != None:
+ self.element.SetStringItem(i, 1, str_to_gui(mol.name))
+
+ # Set the molecule type.
+ if hasattr(mol, 'type'):
+ self.element.SetStringItem(i, 2, str_to_gui(mol.type))
+
+ # Set the thiol state.
+ if hasattr(cdp, 'exp_info') and hasattr(cdp.exp_info,
'thiol_state'):
+ self.element.SetStringItem(i, 3,
str_to_gui(cdp.exp_info.thiol_state))
+
+ # Increment the counter.
+ i += 1
# Size the columns.
self.size_cols()
@@ -270,7 +234,7 @@
# Set the minimum height.
if not self.stretch:
head = self.height_char + 10
- centre = (self.height_char + 6) * n
+ centre = (self.height_char + 6) * n
foot = wx.SystemSettings_GetMetric(wx.SYS_HSCROLL_Y)
height = head + centre + foot
self.element.SetMinSize((-1, height))
@@ -280,28 +244,21 @@
self.element.Thaw()
- def delete(self):
- """Unregister the class."""
-
- # Unregister the observer methods.
- self.observer_register(remove=True)
-
-
def init_element(self, sizer):
- """Initialise the GUI element for the relaxation data listing.
+ """Initialise the GUI element for the molecule listing.
@param sizer: The sizer element to pack the element into.
@type sizer: wx.BoxSizer instance
"""
- # List of relaxation data.
+ # List of molecules.
self.element = wx.ListCtrl(self.panel, -1,
style=wx.BORDER_SUNKEN|wx.LC_REPORT)
# Initialise to 4 columns.
- self.element.InsertColumn(0, str_to_gui("Relaxation data ID"))
- self.element.InsertColumn(1, str_to_gui("Peak intensity type"))
- self.element.InsertColumn(2, str_to_gui("Temperature calibration"))
- self.element.InsertColumn(3, str_to_gui("Temperature control"))
+ self.element.InsertColumn(0, str_to_gui("ID string"))
+ self.element.InsertColumn(1, str_to_gui("Name"))
+ self.element.InsertColumn(2, str_to_gui("Type"))
+ self.element.InsertColumn(3, str_to_gui("Thiol state"))
# Properties.
self.element.SetFont(font.normal)
@@ -325,32 +282,21 @@
@rtype: bool
"""
- # No relaxation data.
- if not hasattr(cdp, 'ri_ids'):
- return True
-
- # The number of IDs.
- n = len(cdp.ri_ids)
-
- # Add all the data.
- for i in range(n):
- # The ID.
- id = cdp.ri_ids[i]
-
- # Check the peak intensity types.
- if not hasattr(cdp, 'exp_info') or not hasattr(cdp.exp_info,
'peak_intensity_type') or not id in cdp.exp_info.peak_intensity_type.keys():
+ # Loop over the molecules.
+ for mol in molecule_loop():
+ # No name.
+ if mol.name == None:
return False
-
- # Check the temperature calibration methods.
- if not hasattr(cdp, 'exp_info') or not hasattr(cdp.exp_info,
'temp_calibration') or not id in cdp.exp_info.temp_calibration.keys():
+ # No molecule type.
+ if not hasattr(mol, 'type') or mol.type == None:
return False
- # Check the temperature control methods.
- if not hasattr(cdp, 'exp_info') or not hasattr(cdp.exp_info,
'temp_control') or not id in cdp.exp_info.temp_control.keys():
+ # No thiol state.
+ if not hasattr(cdp, 'exp_info') or not hasattr(cdp.exp_info,
'thiol_state'):
return False
- # Data input is complete!
+ # Data input is complete.
return True
@@ -385,16 +331,14 @@
menu = wx.Menu()
# Add some menu items for the spin user functions.
- menu.AppendItem(build_menu_item(menu,
id=self.MENU_RELAX_DATA_DISPLAY, text="Dis&play the relaxation data",
icon=fetch_icon(uf_info.get_uf('relax_data.display').gui_icon)))
- menu.AppendItem(build_menu_item(menu,
id=self.MENU_RELAX_DATA_PEAK_INTENSITY_TYPE, text="Set the peak &intensity
type",
icon=fetch_icon(uf_info.get_uf('relax_data.peak_intensity_type').gui_icon)))
- menu.AppendItem(build_menu_item(menu,
id=self.MENU_RELAX_DATA_TEMP_CALIBRATION, text="Set the temperature
&calibration",
icon=fetch_icon(uf_info.get_uf('relax_data.temp_calibration').gui_icon)))
- menu.AppendItem(build_menu_item(menu,
id=self.MENU_RELAX_DATA_TEMP_CONTROL, text="Set the temperature c&ontrol",
icon=fetch_icon(uf_info.get_uf('relax_data.temp_control').gui_icon)))
+ menu.AppendItem(build_menu_item(menu, id=self.MENU_MOLECULE_NAME,
text="&Name the molecule",
icon=fetch_icon(uf_info.get_uf('molecule.name').gui_icon)))
+ menu.AppendItem(build_menu_item(menu, id=self.MENU_MOLECULE_TYPE,
text="Set the molecule &type",
icon=fetch_icon(uf_info.get_uf('molecule.type').gui_icon)))
+ menu.AppendItem(build_menu_item(menu, id=self.MENU_BMRB_THIOL_STATE,
text="Set the thiol &state",
icon=fetch_icon(uf_info.get_uf('bmrb.thiol_state').gui_icon)))
# Bind clicks.
- self.element.Bind(wx.EVT_MENU, self.action_relax_data_display,
id=self.MENU_RELAX_DATA_DISPLAY)
- self.element.Bind(wx.EVT_MENU,
self.action_relax_data_peak_intensity_type,
id=self.MENU_RELAX_DATA_PEAK_INTENSITY_TYPE)
- self.element.Bind(wx.EVT_MENU,
self.action_relax_data_temp_calibration,
id=self.MENU_RELAX_DATA_TEMP_CALIBRATION)
- self.element.Bind(wx.EVT_MENU, self.action_relax_data_temp_control,
id=self.MENU_RELAX_DATA_TEMP_CONTROL)
+ self.element.Bind(wx.EVT_MENU, self.action_molecule_name,
id=self.MENU_MOLECULE_NAME)
+ self.element.Bind(wx.EVT_MENU, self.action_molecule_type,
id=self.MENU_MOLECULE_TYPE)
+ self.element.Bind(wx.EVT_MENU, self.action_bmrb_thiol_state,
id=self.MENU_BMRB_THIOL_STATE)
# Pop up the menu.
if status.show_gui:
@@ -420,7 +364,7 @@
"""Set the label of the StaticBox."""
# Determine if the data input is complete.
- label = "Relaxation data metadata "
+ label = "Molecule information "
if self.is_complete():
label += "(complete)"
else:
r16737 - in /branches/uf_redesign/gui/components: __init__.py molecule.py