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Class methods for Phase based on Lattice/Crystal system #645

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693416c
Improve the docstrings for Phase
argerlt Apr 9, 2026
32d413e
update default lattice parameters used by Phase
argerlt Apr 9, 2026
026334b
Add crystal-system-based classmethods to Phase
argerlt Apr 9, 2026
7b5cb47
update imports and styling in test_phase
argerlt Apr 9, 2026
4892fbc
Unit tests for Phase class methods
argerlt Apr 9, 2026
555723c
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot] Apr 9, 2026
306ea16
update changelog
argerlt Apr 10, 2026
27c90b0
Revert default lattices and improve docstrings
argerlt Apr 20, 2026
9b44ede
Using more regular language in Phase docstrings
argerlt Apr 20, 2026
13a6c39
[pre-commit.ci] auto fixes from pre-commit.com hooks
pre-commit-ci[bot] Apr 20, 2026
fa61025
add changes from code review
argerlt Apr 20, 2026
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9 changes: 9 additions & 0 deletions CHANGELOG.rst
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Expand Up @@ -12,19 +12,28 @@ its best to adhere to `Semantic Versioning <https://semver.org/spec/v2.0.0.html>

Added
-----
- Phases can be defined using lattice-based class methods, such as ``Phase.cubic``
- Non-lazy computation of dot products with
``Misorientation.get_distance_matrix(lazy=True)``.
Currently opt-in, but will be the default in the next minor version.

Changed
-------
- The symmetry-dependent default lattice parameters in ``Phase.structure`` have
been changed to crystallographically possible values.
- ``Miller.get_nearest()`` now raises a ``NotImplementedError`` rather than returning
``NotImplemented``.
- ``Mille.mean(use_symmetry=True)`` now raises a ``NotImplementedError`` rather than
returning ``NotImplemented``.
- Improved (faster and using less memory) non-lazy computation of misorientation angles
from ``Orientation.with_angle_outer()``.

Removed
-------

Deprecated
----------

Fixed
-----
- (Mis)orientation reduction to the fundamental zone via ``reduce()`` now correctly
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