#
# multipie.ipynb
#
from qtdraw.core.qtdraw_app import QtDraw
# show tag list.
def show_list(header, lst):
print(header)
for i in lst:
print(" ", i)
# draw objects.
def draw_equivalent(win):
# draw equivalent site, bond, vector, and orbital.
win.mp_add_site("[1/4,0,1/3]")
win.mp_add_bond("[1/4,0,1/3];[0,1/4,2/3]")
win.mp_add_vector("Q", "[0,0,1]", "[1/2,1/2,0]")
win.mp_add_orbital("Q", "3z**2-r**2", "[1/2,1/2,1/2]")
def draw_harmonics(win):
# create harmonics tag, and draw one of them.
lst = win.mp_create_harmonics("Q", 3)
show_list("Harmonics:", lst)
win.mp_add_harmonics(lst[0], "[1/2,1/2,1/4]")
def draw_site(win):
# create site SAMB, and draw one of them.
lst = win.mp_create_site_samb("[1/4,0,1/3]")
show_list("site SAMB:", lst)
win.mp_add_site_samb(lst[1])
def draw_bond(win):
# create bond SAMB, and draw one of them.
lst = win.mp_create_bond_samb("[1/2,1/2,0]@[1/4,1/4,0]")
show_list("bond SAMB:", lst)
win.mp_add_bond_samb(lst[3])
def draw_vector(win):
# create vector SAMB, and draw one of them.
lst = win.mp_create_vector_samb("Q", "[1/2, 1/2, 0]")
show_list("vector SAMB:", lst)
win.mp_add_vector_samb("Q02+G02")
def draw_vector_modulation(win):
# create vector SAMB, and draw one of them.
lst = win.mp_create_vector_samb("Q", "[1/2, 1/2, 0]")
show_list("vector SAMB:", lst)
win.mp_add_vector_samb_modulation("[[Q02, 1, [1,0,0], cos], [Q02, 1, [0,1,0], sin]]")
def draw_orbital(win):
# create orbital SAMB, and draw one of them.
lst = win.mp_create_orbital_samb("Q", 1, "[0,0,0];[1/2,1/2,0]")
show_list("orital SAMB:", lst)
win.mp_add_orbital_samb("Q02+G02")
def draw_orbital_modulation(win):
# create orbital SAMB, and draw one of them.
lst = win.mp_create_orbital_samb("Q", 1, "[0,0,0];[1/2,1/2,0]")
show_list("orital SAMB:", lst)
win.mp_add_orbital_samb_modulation("[[Q02, 1, [1,0,0], cos], [Q02, 1, [0,1,0], sin]]")
def draw_hopping(win):
# draw hopping direction.
win.mp_add_hopping("[0,0,0];[1/2,1/2,0]")
# === initialization for example ===
win = QtDraw() # create QtDraw application.
win.mp_set_group("D3^4") # set space/point group by Schoenflies notation.
win.set_model("multipie")
