.. DO NOT EDIT.
.. THIS FILE WAS AUTOMATICALLY GENERATED BY SPHINX-GALLERY.
.. TO MAKE CHANGES, EDIT THE SOURCE PYTHON FILE:
.. "gallery/benchmarks/rsa_box_scaling.py"
.. LINE NUMBERS ARE GIVEN BELOW.

.. only:: html

    .. note::
        :class: sphx-glr-download-link-note

        :ref:`Go to the end <sphx_glr_download_gallery_benchmarks_rsa_box_scaling.py>`
        to download the full example code.

.. rst-class:: sphx-glr-example-title

.. _sphx_glr_gallery_benchmarks_rsa_box_scaling.py:


RSA generation scaling
======================

This benchmark measures the time to generate periodic random sequential
adsorption (RSA) configurations as the box volume, and therefore the requested
particle count, increases. The radius, target packing fraction, and stopping
criteria remain fixed.

The timings are specific to the machine and build configuration. They describe
RSA insertion cost, not equilibrium sampling or agreement with an analytical
hard-sphere model.

.. GENERATED FROM PYTHON SOURCE LINES 14-23

.. code-block:: Python


    from time import perf_counter

    import matplotlib.pyplot as plt
    import numpy as np

    from PackLab import monte_carlo, samplers, ureg









.. GENERATED FROM PYTHON SOURCE LINES 24-26

Define a fixed RSA workload
---------------------------

.. GENERATED FROM PYTHON SOURCE LINES 26-33

.. code-block:: Python


    radius = 100 * ureg.nanometer
    target_packing_fraction = 0.08
    box_lengths = np.linspace(3.0, 5.0, 10) * ureg.micrometer
    sampler = samplers.ConstantRadiusSampler(radius=radius)









.. GENERATED FROM PYTHON SOURCE LINES 34-36

Time configuration generation at increasing box sizes
------------------------------------------------------

.. GENERATED FROM PYTHON SOURCE LINES 36-63

.. code-block:: Python


    sphere_counts = []
    elapsed_seconds = []

    for index, box_length in enumerate(box_lengths):
        domain = monte_carlo.PackingDomain(
            box_length,
            box_length,
            box_length,
            use_periodic_boundaries=True,
        )
        options = monte_carlo.RSAOptions()
        options.random_seed = 2026 + index
        options.maximum_attempts = 50_000
        options.maximum_consecutive_rejections = 10_000
        options.target_packing_fraction = target_packing_fraction

        started = perf_counter()
        result = monte_carlo.RSASimulator(domain, sampler, options).run()
        elapsed_seconds.append(perf_counter() - started)
        sphere_counts.append(result.statistics.sphere_count)
        print(
            f"{box_length.to('micrometer').magnitude:.1f} µm box: "
            f"{sphere_counts[-1]:4d} spheres in {elapsed_seconds[-1]:.3f} s"
        )






.. rst-class:: sphx-glr-script-out

 .. code-block:: none

    3.0 µm box:  516 spheres in 0.001 s
    3.2 µm box:  639 spheres in 0.001 s
    3.4 µm box:  781 spheres in 0.002 s
    3.7 µm box:  942 spheres in 0.002 s
    3.9 µm box: 1124 spheres in 0.002 s
    4.1 µm box: 1328 spheres in 0.003 s
    4.3 µm box: 1555 spheres in 0.004 s
    4.6 µm box: 1806 spheres in 0.004 s
    4.8 µm box: 2083 spheres in 0.005 s
    5.0 µm box: 2388 spheres in 0.007 s




.. GENERATED FROM PYTHON SOURCE LINES 64-66

Display generation time against the realised workload
------------------------------------------------------

.. GENERATED FROM PYTHON SOURCE LINES 66-76

.. code-block:: Python


    figure, axis = plt.subplots(figsize=(6, 4))
    _ = axis.plot(sphere_counts, elapsed_seconds, "o-", color="#d97706")
    _ = axis.set(
        xlabel="accepted sphere count",
        ylabel="wall-clock time (s)",
        title="Periodic RSA generation scaling",
    )
    axis.grid(alpha=0.25)
    figure.tight_layout()



.. image-sg:: /gallery/benchmarks/images/sphx_glr_rsa_box_scaling_001.png
   :alt: Periodic RSA generation scaling
   :srcset: /gallery/benchmarks/images/sphx_glr_rsa_box_scaling_001.png
   :class: sphx-glr-single-img






.. rst-class:: sphx-glr-timing

   **Total running time of the script:** (0 minutes 0.124 seconds)


.. _sphx_glr_download_gallery_benchmarks_rsa_box_scaling.py:

.. only:: html

  .. container:: sphx-glr-footer sphx-glr-footer-example

    .. container:: sphx-glr-download sphx-glr-download-jupyter

      :download:`Download Jupyter notebook: rsa_box_scaling.ipynb <rsa_box_scaling.ipynb>`

    .. container:: sphx-glr-download sphx-glr-download-python

      :download:`Download Python source code: rsa_box_scaling.py <rsa_box_scaling.py>`

    .. container:: sphx-glr-download sphx-glr-download-zip

      :download:`Download zipped: rsa_box_scaling.zip <rsa_box_scaling.zip>`


.. only:: html

 .. rst-class:: sphx-glr-signature

    `Gallery generated by Sphinx-Gallery <https://sphinx-gallery.github.io>`_