Package nMOLDYN :: Package GUI :: Module MainDialog :: Class MainDialog |
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# Class MainDialog

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    Tkinter.Misc --+
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      Tkinter.Wm --+
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          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]
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__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. | source code
extractTrajectoryFrame(self, event=None) This method pops up a dialog from where the user can extract a PDB file from a NetCDF trajectory frame. | source code
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. | source code
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. | source code
checkConfiguration(self) This method checks for missing external programs and display some warning if it found some. | source code
setPreferences(self, event=None) This method pops up a dialog from where the user can edit the nMOLDYN configuration file. | source code
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. | source code
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. | source code
traceAnalysis(self, event=None) This method pops up a dialog from where the user can check the march of the running jobs. | source code
analysisBenchmark(self) This method pops up a dialog from where the user can perform some analysis benchmark. | source code
displayDocumentation(self, event=None) This methode opens the nMOLDYN pdf users guide. | source code
displayMailingList(self) This methode opens the nMOLDYN mailing list. | source code
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 ... | source code
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) | source code
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) | source code
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) | source code
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) | source code
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) | source code
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.