def netcharge(root, amber_prmtop, messages):
""" Calculates the net charge and shows its value """
mask = StringVar()
cmd_window = Toplevel(root)
mask_entry = _guiwidgets.MaskEntry(cmd_window, amber_prmtop,
'Mask from which to calculate charge', mask, cmd_window)
mask_entry.config(pady=10)
mask_entry.grid(row=0, column=0, sticky=N+E+S+W)
button = Button(cmd_window, text='OK / Quit', command=cmd_window.destroy)
button.grid(row=1, column=0, sticky=N+E+S+W)
cmd_window.wait_window()
if not mask.get(): return
action = actions.netCharge(amber_prmtop, ArgumentList(mask.get()))
chg = action.execute()
showinfo('Net Charge', 'The net charge of [%s] is %.4f' % (mask.get(), chg))
def ok_destroy(self):
if not self.variable.get():
showinfo('Missing Variable', "You did not choose an option.")
self.destroy()
def info_box(self, event=None):
""" Display an info button """
tkMessageBox.showinfo(title=self.action_name,
message=str(' '.join(
self.desc_string.split())).strip())
