Diffsims

==========================

Added
-----
- Explicit support for Python 3.11.
- Added Pre-Commit for code formatting.
- Added deprecation tools for deprecating functions, parameters, methods, and
properties.

Changed
-------
- Documentation theme from Furo to the PyData-Sphinx-Theme.
- Ran ``black`` formatting to update the code style.

Deprecated
----------
- ``get_hkl()``, ``get_highest_hkl()``, and ``get_equivalent_hkl()`` methods in the
crystallography module. Please use the following corresponding methods in the
``ReciprocalLatticeVector`` class instead: ``from_highest_hkl()``,
``from_min_dspacing()``, and ``symmetrise()``.

Removed
-------
- Removed support for Python 3.6 and Python 3.7, leaving 3.8 as the oldest supported
version.
- ``ReciprocalLatticePoint`` class; Use the ``ReciprocalLatticeVector`` class instead,
which is an improved replacement.
- ``StructureLibrary.from_crystal_systems()`` class method, which previously raised a
``NotImplementedError``, but now will throw an ``AttributeError`` instead.

==========================

Fixed
-----
- Always use no-python mode to silence Numba deprecation warnings.

==========================

Fixed
-----
- ``ReciprocalLatticeVector.allowed`` rounds indices (hkl) internally to ensure correct
selection of which vectors are allowed or not given a lattice centering. Integer
indices are assumed.

Deprecated
----------
- Support for Python 3.6 is deprecated and will be removed in v0.6.

==========================

Added
-----
- Extra parameters in diffraction pattern's plot method for drawing miller index labels
next to the diffraction spots.
- Option to use None for ``scattering_params`` which ignores atomic scattering.
- Python 3.10 support.
- Class ``ReciprocalLatticeVector`` for handling generation, handling and plotting of
vectors. This class replaces ``ReciprocalLatticePoint``, which is deprecated.

Changed
-------
- Minimal version of dependencies orix >= 0.9, numpy >= 1.17 and tqdm >= 4.9.
- The Laue group representing the rotation list sampling of "hexagonal" from 6/m to
6/mmm.
- Loosened the angle tolerance in ``DiffractionLibrary.get_library_entry()`` from
``1e-5`` to ``1e-2``.

Deprecated
----------
- Class ``ReciprocalLatticePoint`` is deprecated and will be removed in v0.6. Use
``ReciprocalLatticeVector`` instead.

==========================

Added
-----
- Simulations now have a .get_as_mask() method (154, 158)
- Python 3.9 testing (161)

Changed
-------
- Simulations now use a fractional (rather than absolute) min_intensity (161)

Fixed
-----
- Precession simulations (161)

==========================

Changed
-------
- `get_grid_beam_directions` default meshing changed to "spherified_cube_edge" from
"spherified_cube_corner"

Fixed
-----
- `get_grid_beam_directions` now behaves correctly for the triclinic and monoclinic
cases