# -*- coding: utf-8 -*-
"""The graphical part of a DFTB+ DOS node"""
import logging
import tkinter as tk
import dftbplus_step
import seamm
import seamm_widgets as sw
logger = logging.getLogger(__name__)
[docs]
class TkDOS(seamm.TkNode):
def __init__(
self,
tk_flowchart=None,
node=None,
canvas=None,
x=120,
y=20,
w=200,
h=50,
my_logger=logger,
):
"""Initialize the graphical Tk DFTB+ DOS step
Keyword arguments:
"""
self.results_widgets = []
super().__init__(
tk_flowchart=tk_flowchart,
node=node,
canvas=canvas,
x=x,
y=y,
w=w,
h=h,
my_logger=my_logger,
)
[docs]
def right_click(self, event):
"""Probably need to add our dialog..."""
super().right_click(event)
self.popup_menu.add_command(label="Edit..", command=self.edit)
self.popup_menu.tk_popup(event.x_root, event.y_root, 0)
[docs]
def create_dialog(self, title="Edit DFTB+ DOS Step"):
"""Create the dialog!"""
self.logger.debug("Creating the dialog")
super().create_dialog(title=title, widget="notebook", results_tab=True)
# Create all the widgets
P = self.node.parameters
frame = self["frame"]
for key in dftbplus_step.DOSParameters.parameters:
if key not in ("results", "extra keywords", "create tables"):
self[key] = P[key].widget(frame)
# Set the callbacks for changes
for widget in ("k-grid method",):
w = self[widget]
w.combobox.bind("<<ComboboxSelected>>", self.reset_dialog)
w.combobox.bind("<Return>", self.reset_dialog)
w.combobox.bind("<FocusOut>", self.reset_dialog)
# self.setup_results(dftbplus_step.properties, calculation=calculation)
self.logger.debug("Finished creating the dialog")
[docs]
def reset_dialog(self, widget=None):
frame = self["frame"]
for slave in frame.grid_slaves():
slave.grid_forget()
# The Brillouin zone integration grid
widgets = []
row = 0
kmethod = self["k-grid method"].get()
self["k-grid method"].grid(row=row, column=0, columnspan=3, sticky=tk.EW)
widgets.append(self["k-grid method"])
row += 1
if kmethod == "grid spacing":
self["k-spacing"].grid(row=row, column=1, columnspan=2, sticky=tk.EW)
widgets.append(self["k-spacing"])
row += 1
elif kmethod == "supercell folding":
self["na"].grid(row=row, column=1, columnspan=2, sticky=tk.EW)
widgets.append(self["na"])
row += 1
self["nb"].grid(row=row, column=1, columnspan=2, sticky=tk.EW)
widgets.append(self["nb"])
row += 1
self["nc"].grid(row=row, column=1, columnspan=2, sticky=tk.EW)
widgets.append(self["nc"])
row += 1
sw.align_labels(widgets, sticky=tk.E)
frame.columnconfigure(0, minsize=30)
return row
