Package nMOLDYN :: Package GUI :: Module MainDialog :: Class MainDialog
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Class MainDialog

source code

Tkinter.Misc --+    
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  Tkinter.Wm --+    
               |    
      Tkinter.Tk --+
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                  MainDialog

This is the base class for the nMoldyn GUI. It launches the main window of nMoldyn from which different menus can be accessed.

Nested Classes [hide private]

Inherited from Tkinter.Misc: getdouble, getint

Instance Methods [hide private]
string
__init__(self, netcdf_filename=None)
The constructor.
source code
 
body(self, master) source code
 
cancel(self, event=None) source code
 
loadNetCDF(self, event=None, filename=None)
This method is launched when the user clicks on the |Load NetCDF| of the |File| menu.
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extractTrajectoryFrame(self, event=None)
This method pops up a dialog from where the user can extract a PDB file from a NetCDF trajectory frame.
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convertNetCDFToASCII(self, event=None)
This method pops up a dialog where the user can proceed to a conversion from a file in NetCDF format to ASCII format.
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convertASCIIToNetCDF(self, event=None)
This method pops up a dialog where the user can proceed to a conversion from a file in ASCII format to NetCDF format.
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checkConfiguration(self)
This method checks for missing external programs and display some warning if it found some.
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setPreferences(self, event=None)
This method pops up a dialog from where the user can edit the nMOLDYN configuration file.
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analysisDialog(self, analysis) source code
 
plotNetCDF(self, event=None)
This method pops up a dialog from where the user can display any numeric 2D or 3D NetCDF variables.
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animateTrajectory(self, event=None)
This method pops up a dialog from where the user can animate a trajectory.
source code
 
viewEffectiveMode(self, event=None)
This method pops up a dialog from where the user can animate an effective mode coming from a QHA analysis.
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traceAnalysis(self, event=None)
This method pops up a dialog from where the user can check the march of the running jobs.
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analysisBenchmark(self)
This method pops up a dialog from where the user can perform some analysis benchmark.
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displayDocumentation(self, event=None)
This methode opens the nMOLDYN pdf users guide.
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displayMailingList(self)
This methode opens the nMOLDYN mailing list.
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displayAPI(self, event=None) source code
 
aboutNMOLDYN(self, event=None)
This method displays general informations about the program such as the developper, the main versions ...
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Inherited from Tkinter.Tk: __getattr__, destroy, loadtk, readprofile, report_callback_exception

Inherited from Tkinter.Tk (private): _loadtk

Inherited from Tkinter.Misc: __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, _getdoubles, _getints, _grid_configure, _nametowidget, _options, _register, _report_exception, _root, _substitute

Inherited from Tkinter.Wm: aspect, attributes, client, colormapwindows, command, deiconify, focusmodel, frame, geometry, grid, group, iconbitmap, iconify, iconmask, iconname, iconposition, iconwindow, maxsize, minsize, overrideredirect, positionfrom, protocol, resizable, sizefrom, state, title, transient, withdraw, wm_aspect, wm_attributes, wm_client, wm_colormapwindows, wm_command, wm_deiconify, wm_focusmodel, wm_frame, wm_geometry, wm_grid, wm_group, wm_iconbitmap, wm_iconify, wm_iconmask, wm_iconname, wm_iconposition, wm_iconwindow, wm_maxsize, wm_minsize, wm_overrideredirect, wm_positionfrom, wm_protocol, wm_resizable, wm_sizefrom, wm_state, wm_title, wm_transient, wm_withdraw

Class Variables [hide private]

Inherited from Tkinter.Tk (private): _w

Inherited from Tkinter.Misc: _noarg_

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

Method Details [hide private]

__init__(self, netcdf_filename=None)
(Constructor)

source code 

The constructor. Displays the main window.

Parameters:
  • netcdf_filename - a string specifying a NetCDF file, nMOLDYN should be started with.
Returns: string
Overrides: Tkinter.Tk.__init__

loadNetCDF(self, event=None, filename=None)

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This method is launched when the user clicks on the |Load NetCDF| of the |File| menu. It loads the NetCDF file and displays its main informations in the information window.

animateTrajectory(self, event=None)

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This method pops up a dialog from where the user can animate a trajectory. If a trajectory has been loaded for analysis this will be the default one. Otherwise the user can still browse one from the dialog. The animation requires VMD.

viewEffectiveMode(self, event=None)

source code 

This method pops up a dialog from where the user can animate an effective mode coming from a QHA analysis. The animation require VMD.

traceAnalysis(self, event=None)

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This method pops up a dialog from where the user can check the march of the running jobs. The dialog can be updated dynamically by pressing its button 'refresh'.

analysisBenchmark(self)

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This method pops up a dialog from where the user can perform some analysis benchmark. The benchmark is done between the current version and a reference version that is the version 2.2.5 the last official release of nMOLDYN.

displayDocumentation(self, event=None)

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This methode opens the nMOLDYN pdf users guide. The users guide was written by E. Pellegrini, V. Calandrini, P. Calligari, K. Hinsen and G.R. Kneller.