Package schrodinger :: Package ui :: Module macromodel :: Class AsetFrame

Class AsetFrame

widget.tkinterwidget.schroWidget --+    
                                   |    
        Tkinter.Misc --+           |    
                       |           |    
      Tkinter.BaseWidget --+       |    
                           |       |    
            Tkinter.Pack --+       |    
                           |       |    
           Tkinter.Place --+       |    
                           |       |    
            Tkinter.Grid --+       |    
                           |       |    
              Tkinter.Widget --+   |    
                               |   |    
                   Tkinter.Frame --+    
                                   |    
          widget.tkinterwidget.Frame --+
                                       |
                                      AsetFrame

A graphical component to set up Atom Set Interaction (ASET) jobs in MacroModel.

Nested Classes

[hide private]

Inherited from Tkinter.Misc: getdouble, getint

Instance Methods

[hide private]

__init__(self, *args, **kwargs)
The initialization function simply retrieves the defaults for the given widget type, and intializes the widget with the specified initialization function, using a combination of user-specified options and those set in defaults (NOTE: Defaults will override user-specified options.

updateSelectedSetNum(self)
Repaint labels and removes redundant values from a self.atoms_sets.

delSet(self)
Removes an atoms_sets key for the selected set.

newSet(self)
Adds an atoms_sets key for a new set.

addTextToSet(self)
Adds numerical text values to the selected atoms_sets list.

addAtomsToSet(self)
Adds workspace atom selection to the selected atoms_sets list.

addMolsToSet(self)
Adds workspace molecule selection to the selected atoms_sets list.

setup(self, j)
Creates a jobparameter dictionary of ASET panel settings.

Inherited from widget.tkinterwidget.schroWidget: grid, pack

Inherited from widget.tkinterwidget.schroWidget (private): _getDflts, _retrieveDflts, _update_placement

Inherited from Tkinter.BaseWidget: destroy

Inherited from Tkinter.BaseWidget (private): _do, _setup

Inherited from Tkinter.Misc: __contains__, __getitem__, __setitem__, __str__, after, after_cancel, after_idle, bbox, bell, bind, bind_all, bind_class, bindtags, cget, clipboard_append, clipboard_clear, clipboard_get, colormodel, columnconfigure, config, configure, deletecommand, event_add, event_delete, event_generate, event_info, focus, focus_displayof, focus_force, focus_get, focus_lastfor, focus_set, getboolean, getvar, grab_current, grab_release, grab_set, grab_set_global, grab_status, grid_bbox, grid_columnconfigure, grid_location, grid_propagate, grid_rowconfigure, grid_size, grid_slaves, image_names, image_types, keys, lift, lower, mainloop, nametowidget, option_add, option_clear, option_get, option_readfile, pack_propagate, pack_slaves, place_slaves, propagate, quit, register, rowconfigure, selection_clear, selection_get, selection_handle, selection_own, selection_own_get, send, setvar, size, slaves, tk_bisque, tk_focusFollowsMouse, tk_focusNext, tk_focusPrev, tk_menuBar, tk_setPalette, tk_strictMotif, tkraise, unbind, unbind_all, unbind_class, update, update_idletasks, wait_variable, wait_visibility, wait_window, waitvar, winfo_atom, winfo_atomname, winfo_cells, winfo_children, winfo_class, winfo_colormapfull, winfo_containing, winfo_depth, winfo_exists, winfo_fpixels, winfo_geometry, winfo_height, winfo_id, winfo_interps, winfo_ismapped, winfo_manager, winfo_name, winfo_parent, winfo_pathname, winfo_pixels, winfo_pointerx, winfo_pointerxy, winfo_pointery, winfo_reqheight, winfo_reqwidth, winfo_rgb, winfo_rootx, winfo_rooty, winfo_screen, winfo_screencells, winfo_screendepth, winfo_screenheight, winfo_screenmmheight, winfo_screenmmwidth, winfo_screenvisual, winfo_screenwidth, winfo_server, winfo_toplevel, winfo_viewable, winfo_visual, winfo_visualid, winfo_visualsavailable, winfo_vrootheight, winfo_vrootwidth, winfo_vrootx, winfo_vrooty, winfo_width, winfo_x, winfo_y

Inherited from Tkinter.Misc (private): _bind, _configure, _displayof, _getboolean, _getconfigure, _getconfigure1, _getdoubles, _getints, _grid_configure, _gridconvvalue, _nametowidget, _options, _register, _report_exception, _root, _substitute

Inherited from Tkinter.Pack: forget, info, pack_configure, pack_forget, pack_info

Inherited from Tkinter.Place: place, place_configure, place_forget, place_info

Inherited from Tkinter.Grid: grid_configure, grid_forget, grid_info, grid_remove, location

Class Variables

[hide private]

Inherited from Tkinter.Misc: _noarg_

Inherited from Tkinter.Misc (private): _subst_format, _subst_format_str, _tclCommands

Properties

[hide private]

Inherited from Tkinter.Misc (private): _windowingsystem

Method Details

[hide private]

init(self, *args, **kwargs)
(Constructor)

The initialization function simply retrieves the defaults for the given widget type, and intializes the widget with the specified initialization function, using a combination of user-specified options and those set in defaults (NOTE: Defaults will override user-specified options. If defaults must be overridden, simply configure the widget after initialization: <widget>.config(<options>))

Overrides: Tkinter.BaseWidget.__init__: (inherited documentation)

addMolsToSet(self)

Adds workspace molecule selection to the selected atoms_sets list. The first negated atom number for each workspace selected molecule is added to the list.

setup(self, j)

Creates a jobparameter dictionary of ASET panel settings. Returns True.

Class AsetFrame

__init__(self, *args, **kwargs) (Constructor)

addMolsToSet(self)

setup(self, j)

init(self, *args, **kwargs)
(Constructor)