structure_magnetic.py

from __future__ import annotations

import dash
from dash import html
from pymatgen.core import Lattice, Structure

import crystal_toolkit.components as ctc
from crystal_toolkit.settings import SETTINGS

app = dash.Dash(assets_folder=SETTINGS.ASSETS_PATH)

# create the Structure object
structure = Structure(
    Lattice.cubic(3.0),
    ["Ni", "Ti"],
    [[0, 0, 0], [0.5, 0.5, 0.5]],
    site_properties={"magmom": [[-2.0, 1.0, 0.0], [1.0, 1.0, -1.0]]},
    # site_properties={"magmom": [3.0, -2.0]},
)

# create the Crystal Toolkit component
structure_component = ctc.StructureMoleculeComponent(structure, id="struct")

# example layout to demonstrate capabilities of component
layout = html.Div(
    [
        html.H1("StructureMoleculeComponent Example"),
        html.H2("Standard Layout"),
        structure_component.layout(size="400px"),
        html.H2("Optional Additional Layouts"),
        html.H3("Screenshot Layout"),
        structure_component.screenshot_layout(),
        html.H3("Options Layout"),
        structure_component.options_layout(),
        html.H3("Title Layout"),
        structure_component.title_layout(),
        html.H3("Legend Layout"),
        structure_component.legend_layout(),
    ]
)

# tell crystal toolkit about your app and layout
ctc.register_crystal_toolkit(app, layout=layout)

# run this app with "python path/to/this/file.py"
# in production, deploy behind gunicorn or similar
# see Dash docs for more info
if __name__ == "__main__":
    app.run(debug=True, port=8050)