Examples

The examples for QtDraw.

load from files

#
# load.py
#
import os
from qtdraw.core.qtdraw_app import QtDraw

files = ["sample.qtdw", "sample_ver1.qtdw", "icon.qtdw", "color_pattern.qtdw", "helimag.qtdw", "Si.cif", "Si.vesta", "Si.xsf"]

os.chdir(os.path.dirname(__file__))
for f in files:
    app = QtDraw(f)
    app.exec()

from Jupyter Notebook

• QtDraw

• Graphene with MultiPie

• Te with MultiPie

• PyVistaWidget

• with MultiPie

background plot

#
# background.py
#
import numpy as np
from qtdraw.util.qt_event_util import get_qt_application
from qtdraw.core.pyvista_widget import PyVistaWidget

filename = "output.qtdw"  # output file name.

# create widget.
app = get_qt_application()
widget = PyVistaWidget(off_screen=True)

widget.set_cell("off")  # cell off.

# add objects.
for i in range(32):
    x = np.cos(i * np.pi / 8)
    y = np.sin(i * np.pi / 8)
    z = i * 0.05
    widget.add_site(position=f"[{x},{y},{z}]", size=0.1)

# save and quit.
widget.save(filename)
app.quit()

isosurface plot

#
# create isosurface for simple cubic tight-binding.
#
from qtdraw.core.qtdraw_app import QtDraw
import numpy as np
from qtdraw.parser.xsf import create_data


# ==================================================
def create_grid_data():
    n = [50, 50, 50]
    origin = [-0.5, -0.5, -0.5]
    A = np.eye(4)
    endpoint = True

    # data function for each point (dispersion relation).
    def ek(x, y, z):
        return -2.0 * (np.cos(2 * np.pi * x) + np.cos(2 * np.pi * y) + np.cos(2 * np.pi * z))

    # surface function for each point (absolute value of velocity).
    def v(x, y, z):
        return 4.0 * np.pi * np.sqrt(np.sin(2 * np.pi * x) ** 2 + np.sin(2 * np.pi * y) ** 2 + np.sin(2 * np.pi * z) ** 2)

    surface = {"v": v}

    grid_data = create_data(n, origin, A, endpoint, ek, surface)

    return grid_data


# create data.
grid_data = create_grid_data()

# create QtDraw.
win = QtDraw()

# draw isosurface.
win.set_cell("off")
win.add_isosurface(data=("cubic.py", grid_data), value=[0.5], surface="v", color="coolwarm", color_range=[10, 24])
win.set_view()

win.exec()