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

.. only:: html

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

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

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

.. _sphx_glr_gallery_validation_percus_yevick_regime_convergence.py:


Grid refinement across mixture regimes
======================================

Check how the automatic Percus--Yevick inverse-transform grid responds to
changes in volume fraction and size ratio. The reported maximum difference is
measured away from hard-core contacts, where the discontinuity makes pointwise
Fourier convergence slower. This assesses numerical resolution of one model;
it does not imply that irreversible RSA is equivalent to the equilibrium
Percus--Yevick reference.

.. GENERATED FROM PYTHON SOURCE LINES 12-63



.. image-sg:: /gallery/validation/images/sphx_glr_percus_yevick_regime_convergence_001.png
   :alt: Maximum change under grid refinement
   :srcset: /gallery/validation/images/sphx_glr_percus_yevick_regime_convergence_001.png
   :class: sphx-glr-single-img


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

 .. code-block:: none

    volume fraction=0.05, size ratio=1.5: max change=2.67e-06
    volume fraction=0.05, size ratio=2.0: max change=3.56e-06
    volume fraction=0.05, size ratio=3.0: max change=5.33e-06
    volume fraction=0.20, size ratio=1.5: max change=4.13e-06
    volume fraction=0.20, size ratio=2.0: max change=5.5e-06
    volume fraction=0.20, size ratio=3.0: max change=8.18e-06
    volume fraction=0.35, size ratio=1.5: max change=6.81e-06
    volume fraction=0.35, size ratio=2.0: max change=9.07e-06
    volume fraction=0.35, size ratio=3.0: max change=1.34e-05






|

.. code-block:: Python


    import matplotlib.pyplot as plt
    import numpy as np
    from PackLab import analytical, ureg

    small_radius = 0.1
    ratios = (1.5, 2.0, 3.0)
    volume_fractions = (0.05, 0.2, 0.35)
    distances = np.linspace(0, 1.5, 240) * ureg.micrometer
    errors = np.empty((len(volume_fractions), len(ratios)))
    for row, fraction in enumerate(volume_fractions):
        for column, ratio in enumerate(ratios):
            radii = np.array([small_radius, small_radius * ratio]) * ureg.micrometer
            domain = analytical.PercusYevickDomain(
                size=100 * ureg.micrometer,
                radii=radii,
                volume_fraction=fraction,
                number_fractions=[0.5, 0.5],
            )
            kwargs = dict(densities=domain.particle_densities_per_radius, radii=domain.radii)
            automatic = analytical.PercusYevickSolver(**kwargs, wavenumber="auto").compute(distances)
            grid = analytical.make_wavenumber_grid(
                radial_resolution=radii.min() / 20,
                maximum_distance=distances.max(),
                samples_per_oscillation=24,
            )
            refined = analytical.PercusYevickSolver(**kwargs, wavenumber=grid).compute(distances)
            differences = []
            for i, j in ((0, 0), (0, 1), (1, 1)):
                contact = (radii[i] + radii[j]).to("micrometer").magnitude
                mask = distances.magnitude > contact + 0.04
                differences.append(np.max(np.abs(automatic.g[i, j, mask] - refined.g[i, j, mask])))
            errors[row, column] = max(differences)
            print(
                f"volume fraction={fraction:.2f}, size ratio={ratio:.1f}: "
                f"max change={errors[row, column]:.3g}"
            )

    figure, axis = plt.subplots()
    image = axis.imshow(errors, origin="lower", aspect="auto")
    axis.set(
        xticks=range(len(ratios)),
        xticklabels=ratios,
        yticks=range(len(volume_fractions)),
        yticklabels=volume_fractions,
        xlabel="large/small radius",
        ylabel="volume fraction",
        title="Maximum change under grid refinement",
    )
    figure.colorbar(image, ax=axis, label="maximum absolute change in partial g")
    figure.tight_layout()


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

   **Total running time of the script:** (0 minutes 0.200 seconds)


.. _sphx_glr_download_gallery_validation_percus_yevick_regime_convergence.py:

.. only:: html

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

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

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

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

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

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

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


.. only:: html

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

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