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

.. only:: html

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

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

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

.. _sphx_glr_examples_creating_a_simulation_library_migration_guide.py:


0.5.x --> 0.6.x Migration Guide
===============================
This is a migration guide for version 0.5.x to 0.6.x. This guide helps to show the changes
that were made to the API and how to update your code to use the new API.

Here you can see how to make an equivalent to a diffraction library

Old
---

.. GENERATED FROM PYTHON SOURCE LINES 12-42

.. code-block:: Python


    import numpy as np
    import matplotlib.pyplot as plt
    from diffpy.structure import Atom, Lattice, Structure

    from diffsims.libraries.structure_library import StructureLibrary
    from diffsims.generators.diffraction_generator import DiffractionGenerator
    from diffsims.generators.library_generator import DiffractionLibraryGenerator

    latt = Lattice(4, 4, 4, 90, 90, 90)
    atoms = [
        Atom(atype="Al", xyz=[0.0, 0.0, 0.0], lattice=latt),
        Atom(atype="Al", xyz=[0.5, 0.5, 0.0], lattice=latt),
        Atom(atype="Al", xyz=[0.5, 0.0, 0.5], lattice=latt),
        Atom(atype="Al", xyz=[0.0, 0.5, 0.5], lattice=latt),
    ]
    structure_matrix = Structure(atoms=atoms, lattice=latt)
    euler_angles = np.array([[0, 0, 0], [10.0, 0.0, 0.0]])
    struct_library = StructureLibrary(["Al"], [structure_matrix], [euler_angles])
    diff_gen = DiffractionGenerator(accelerating_voltage=200)
    lib_gen = DiffractionLibraryGenerator(diff_gen)
    diff_lib = lib_gen.get_diffraction_library(
        struct_library,
        calibration=0.0262,
        reciprocal_radius=1.6768,
        half_shape=64,
        with_direct_beam=True,
        max_excitation_error=0.02,
    )





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

 .. code-block:: none


      0%|          | 0/2 [00:00<?, ?it/s]
                                     



.. GENERATED FROM PYTHON SOURCE LINES 43-45

New
---

.. GENERATED FROM PYTHON SOURCE LINES 45-83

.. code-block:: Python


    from orix.crystal_map import Phase
    from orix.quaternion import Rotation
    from diffsims.generators.simulation_generator import SimulationGenerator

    latt = Lattice(4, 4, 4, 90, 90, 90)
    atoms = [
        Atom(atype="Al", xyz=[0.0, 0.0, 0.0], lattice=latt),
        Atom(atype="Al", xyz=[0.5, 0.5, 0.0], lattice=latt),
        Atom(atype="Al", xyz=[0.5, 0.0, 0.5], lattice=latt),
        Atom(atype="Al", xyz=[0.0, 0.5, 0.5], lattice=latt),
    ]
    structure_matrix = Structure(atoms=atoms, lattice=latt)
    p = Phase("Al", point_group="m-3m", structure=structure_matrix)
    gen = SimulationGenerator(accelerating_voltage=200)
    rot = Rotation.from_euler([[0, 0, 0], [10.0, 0.0, 0.0]], degrees=True)
    sim = gen.calculate_diffraction2d(
        phase=p,
        rotation=rot,
        reciprocal_radius=1.6768,
        max_excitation_error=0.02,
        with_direct_beam=True,
    )

    fig, axs = plt.subplots(2, 2, figsize=(10, 10))
    for i in range(2):
        diff_lib["Al"]["simulations"][i].plot(
            size_factor=15, show_labels=True, ax=axs[i, 0]
        )
        sim.irot[i].plot(ax=axs[i, 1], size_factor=15, show_labels=True)
        axs[i, 0].set_xlim(-1.5, 1.5)
        axs[i, 0].set_ylim(-1.5, 1.5)
        axs[i, 1].set_xlim(-1.5, 1.5)
        axs[i, 1].set_ylim(-1.5, 1.5)

    _ = axs[0, 0].set_title("Old")
    _ = axs[0, 1].set_title("New")




.. image-sg:: /examples/creating_a_simulation_library/images/sphx_glr_migration_guide_001.png
   :alt: Old, New
   :srcset: /examples/creating_a_simulation_library/images/sphx_glr_migration_guide_001.png
   :class: sphx-glr-single-img






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

   **Total running time of the script:** (0 minutes 0.279 seconds)


.. _sphx_glr_download_examples_creating_a_simulation_library_migration_guide.py:

.. only:: html

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

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

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

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

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

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

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


.. only:: html

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

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