def __init__(self):
self.root_window = Tk()
self.vframe = VerticalScrolledFrame(self.root_window)
self.vframe.pack(fill=BOTH, expand=1)
self.window = self.vframe.interior
self.sections = []
self.initialize_window()
def create_window(self):
self.window = Toplevel(self.parent_window)
self.window.title("Ingredients Information")
self.window.minsize(500, 600)
self.vframe = VerticalScrolledFrame(self.window)
self.vframe.pack(fill=BOTH, expand=1)
self.ingredients_window = self.vframe.interior
self.ingredients_window.grid_rowconfigure(0, weight=1)
self.ingredients_window.grid_rowconfigure(1, weight=1)
self.ingredients_window.grid_rowconfigure(2, weight=1)
self.ingredients_window.grid_columnconfigure(0, weight=1)
#global param frame
global_frame = LabelFrame(self.ingredients_window, text="Global Parameters")
global_frame.grid(row=0, column=0, padx=20, pady=20, sticky=N+S+W+E)
global_label = Label(global_frame, text="Global Parameters")
global_label.grid(row=0, column=0, padx=20, sticky=W)
global_box = Text(global_frame, height=5, width=80)
if self.ingredients_info['global'][0] is not None:
global_box.insert('1.0', self.ingredients_info['global'][0])
else:
global_box.insert('1.0', '\n'.join(["%s %s" % (key, value) for key, value in self.keywords]))
global_box.grid(row=1, column=0, padx=20, pady=5)
self.ingredients_info['global'][1] = global_box
self.ingredients_frame = LabelFrame(self.ingredients_window, text="Ingredients information")
self.ingredients_frame.grid(row=1, column=0, padx=20, pady=5, sticky=N+S+W+E)
self.ingredients_frame.grid_rowconfigure(0, weight=1)
self.ingredients_frame.grid_columnconfigure(0, weight=1)
#ingredients frames
for rownum in xrange(self.num_ing_fields):
self.create_ingredient_fields(self.ingredients_frame, rownum)
self.add_button = Button(self.ingredients_frame, text="Add more Ingredients", command=self.add_ingredients)
self.add_button.grid(row=self.num_ing_fields + 1, column=0, pady=10, padx=10)
#save button
save_button = Button(self.ingredients_window, text="Save", command=self.save)
save_button.grid(row=2, column=0, padx=20, pady=10, sticky=N+S+W+E)
def create_window(self):
self.window = ttk.Toplevel(self.parent_window)
self.window.title("NEB Information")
self.window.minsize(500, 500)
self.vframe = VerticalScrolledFrame(self.window)
self.vframe.pack(fill=BOTH, expand=1)
self.neb_window = self.vframe.interior
self.neb_window.grid_rowconfigure(0, weight=1)
self.neb_window.grid_columnconfigure(0, weight=1)
neb_frame = LabelFrame(self.neb_window, text="NEB")
neb_frame.grid(row=0, column=0, padx=20, pady=20)
neb_frame.grid_rowconfigure(0, weight=1)
neb_frame.grid_columnconfigure(0, weight=1)
#frame for images and button
frame1 = Frame(neb_frame)
frame1.grid(row=0, column=0)
frame1.grid_rowconfigure(0, weight=1)
frame1.grid_rowconfigure(1, weight=1)
frame1.grid_columnconfigure(0, weight=1)
frame1.grid_columnconfigure(1, weight=1)
frame1.grid_columnconfigure(2, weight=1)
#add images
label = Label(frame1, text="IMAGES")
label.grid(row=0, column=0, sticky=E, pady=10, padx=10)
images_val = StringVar(frame1)
if self.neb_info['images'][0] is not None:
images_val.set(self.neb_info['images'][0])
images_menu = Entry(frame1, textvariable=images_val)
images_menu.grid(row=0, column=1, sticky=W, pady=10, padx=10)
self.neb_info["images"] = [images_val.get(), images_val]
images_btn = Button(frame1,
text="Add Posfiles",
command=self.create_window_with_posfiles)
images_btn.grid(row=0, column=2, sticky=W, pady=10, padx=10)
#frame for entities
frame2 = Frame(neb_frame)
frame2.grid(row=1, column=0)
#a label frame to add neb related information
self.neb_entities_frame = LabelFrame(frame2, text="NEB ENTITIES")
self.neb_entities_frame.grid(row=0,
column=0,
columnspan=3,
padx=10,
pady=10)
for rownum in xrange(self.num_neb_fields):
self.create_neb_fields(self.neb_entities_frame, rownum)
self.add_button = Button(self.neb_entities_frame,
text="Add more neb",
command=self.add_elements)
self.add_button.grid(row=self.num_neb_fields + 1,
column=0,
columnspan=6,
pady=10,
padx=10)
#save button
save_button = Button(neb_frame, text="Save", command=self.save)
save_button.grid(row=3, column=0, columnspan=2, padx=20, pady=10)
def create_window(self):
self.window = ttk.Toplevel(self.parent_window)
self.window.title("Structure Information")
self.window.minsize(500, 500)
self.vframe = VerticalScrolledFrame(self.window)
self.vframe.pack(fill=BOTH, expand=1)
self.structure_window = self.vframe.interior
self.structure_window.grid_rowconfigure(0, weight=1)
self.structure_window.grid_columnconfigure(0, weight=1)
self.structure_window.grid_rowconfigure(0, weight=1)
self.structure_window.grid_columnconfigure(0, weight=1)
structure_frame = LabelFrame(self.structure_window, text="Structure")
structure_frame.grid(row=0, column=0, padx=20, pady=20)
structure_frame.grid_rowconfigure(0, weight=1)
structure_frame.grid_rowconfigure(1, weight=1)
structure_frame.grid_columnconfigure(0, weight=1)
structure_frame.grid_columnconfigure(1, weight=1)
#add coordtype
label = Label(structure_frame, text="COORD_TYPE")
label.grid(row=0, column=0, sticky=E, pady=10, padx=10)
coord_type = StringVar(structure_frame)
coord_type.set("fractional")
if self.structure_info['coord_type'][0] is not None:
coord_type.set(self.structure_info['coord_type'][0])
coord_type_option = OptionMenu(structure_frame, coord_type,
"fractional", "cartesian")
coord_type_option.grid(row=0, column=1, sticky=W, pady=10, padx=10)
self.structure_info["coord_type"] = [coord_type.get(), coord_type]
#pos file
label = Label(structure_frame, text="POSFILE")
label.grid(row=1, column=0, sticky=E, pady=10, padx=10)
text_val = StringVar()
if self.structure_info['posfile'][0] is not None:
text_val.set(self.structure_info['posfile'][0])
text = Entry(structure_frame, textvariable=text_val)
text.grid(row=1, column=1, sticky=W, pady=10, padx=10)
self.structure_info['posfile'] = [text_val.get(), text_val]
#pos file
label = Label(structure_frame, text="LATTICE")
label.grid(row=2, column=0, sticky=E, pady=10, padx=10)
text = Text(structure_frame, height=5, width=30)
if self.structure_info['lattice'][0] is not None:
text.insert('1.0', self.structure_info['lattice'][0])
text.grid(row=2, column=1, sticky=W, pady=10, padx=10)
self.structure_info['lattice'][1] = text
#label frame to add elements info
self.elements_frame = LabelFrame(structure_frame,
text="ELEMENTS INFORMATION")
self.elements_frame.grid(row=3,
column=0,
columnspan=2,
pady=10,
padx=10)
#create field headers
id_label = Label(self.elements_frame, text="ID")
id_label.grid(row=0, column=0, padx=10, pady=10, sticky=W)
element_label = Label(self.elements_frame, text="ELEMENT")
element_label.grid(row=0, column=1, padx=10, pady=10, sticky=W)
coordinates_label = Label(self.elements_frame, text="COORDINATES")
coordinates_label.grid(row=0, column=2, padx=10, pady=10, sticky=W)
for row_num in xrange(self.num_elt_fields + 1):
if row_num == 0:
continue
self.create_element_fields(self.elements_frame, row_num)
self.add_button = Button(self.elements_frame,
text="Add more elements",
command=self.add_elements)
self.add_button.grid(row=self.num_elt_fields + 1,
column=0,
columnspan=3,
pady=10,
padx=10)
#save button
save_button = Button(structure_frame, text="Save", command=self.save)
save_button.grid(row=4, column=0, columnspan=2, padx=20, pady=10)
def create_window(self):
self.window = ttk.Toplevel(self.parent_window)
self.window.title("Defects Information")
self.window.minsize(500, 500)
self.vframe = VerticalScrolledFrame(self.window)
self.vframe.pack(fill=BOTH, expand=1)
self.defects_window = self.vframe.interior
self.defects_window.grid_rowconfigure(0, weight=1)
self.defects_window.grid_columnconfigure(0, weight=1)
defects_frame = LabelFrame(self.defects_window, text="Defects")
defects_frame.grid(row=0, column=0, padx=20, pady=20)
defects_frame.grid_rowconfigure(0, weight=1)
defects_frame.grid_rowconfigure(1, weight=1)
defects_frame.grid_columnconfigure(0, weight=1)
defects_frame.grid_columnconfigure(1, weight=1)
#add coordtype
label = Label(defects_frame, text="COORD_TYPE")
label.grid(row=0, column=0, sticky=E, pady=10, padx=10)
coord_type = StringVar(defects_frame)
coord_type.set("fractional")
if self.defects_info['coord_type'][0] is not None:
coord_type.set(self.defects_info['coord_type'][0])
coord_type_option = OptionMenu(defects_frame, coord_type, "fractional",
"cartesian")
coord_type_option.grid(row=0, column=1, sticky=W, pady=10, padx=10)
self.defects_info["coord_type"] = [coord_type.get(), coord_type]
#add posfile
label = Label(defects_frame, text="POS FILE")
label.grid(row=1, column=0, sticky=E, pady=10, padx=10)
pos_value = StringVar(defects_frame)
pos_value.set("")
if self.defects_info['posfile'][0] is not None:
pos_value.set(self.defects_info['posfile'][0])
pos_entry = Entry(defects_frame, textvariable=pos_value)
pos_entry.grid(row=1, column=1, sticky=W, pady=10, padx=10)
self.defects_info["posfile"] = [pos_value.get(), pos_value]
#a label frame to add defects related information
self.defects_entities_frame = LabelFrame(defects_frame,
text="DEFECT ENTITIES")
self.defects_entities_frame.grid(row=2,
column=0,
columnspan=2,
padx=10,
pady=10)
#create field headers
for rownum in xrange(self.num_defect_fields):
self.create_defect_fields(self.defects_entities_frame, rownum)
self.add_button = Button(self.defects_entities_frame,
text="Add more defects",
command=self.add_elements)
self.add_button.grid(row=self.num_defect_fields + 1,
column=0,
columnspan=2,
pady=10,
padx=10)
#save button
save_button = Button(defects_frame, text="Save", command=self.save)
save_button.grid(row=3, column=0, columnspan=2, padx=20, pady=10)
