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Geometrical EBSD simulation notebook #281

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hakonanes
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@hakonanes hakonanes commented Jan 12, 2021

Description of the change

Progress of the PR

  • Change use of diffsims.crystallography.ReciprocalLatticePoint._hkldata to hkldata
  • Use EDAX TSL reference frame instead of Bruker
  • Use EDAX TSL pattern center definition instead of Bruker
  • Docstrings for all functions
  • Unit tests with pytest for all lines
  • Clean code style by running black via pre-commit

For reviewers

  • Check that the PR title is short, concise, and will make sense 1 year
    later.
  • Check that new functions are imported in corresponding __init__.py.
  • Check that new features, API changes, and deprecations are mentioned in
    the unreleased section in doc/changelog.rst.

Signed-off-by: Håkon Wiik Ånes <hwaanes@gmail.com>
Signed-off-by: Håkon Wiik Ånes <hwaanes@gmail.com>
@hakonanes hakonanes added bug Something isn't working documentation This relates to the documentation labels Jan 12, 2021
@hakonanes hakonanes added this to the v0.3.0 milestone Jan 12, 2021
@hakonanes hakonanes self-assigned this Jan 12, 2021
@hakonanes hakonanes marked this pull request as draft January 12, 2021 10:14
@hakonanes
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Failing tests are related to me removing the private attribute diffsims.crystallography.ReciprocalLatticePoint._hkldata in the latest diffsims v0.4 release, and I haven't updated it's use in kikuchipy yet.

Signed-off-by: Håkon Wiik Ånes <hwaanes@gmail.com>
Signed-off-by: Håkon Wiik Ånes <hwaanes@gmail.com>
Signed-off-by: Håkon Wiik Ånes <hwaanes@gmail.com>
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The tests now fail because I forgot to remove the rotation of orientations used by the test from TSL's to Bruker's sample reference frame here: https://github.com/pyxem/kikuchipy/blob/master/kikuchipy/conftest.py#L171

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I'll follow up this PR with another PR creating a notebook out of the reference frame reST file, where the conventions will be updated.

Signed-off-by: Håkon Wiik Ånes <hwaanes@gmail.com>
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Actually, it's much simpler to use Bruker's PC convention since their PC origin is in the upper left corner of the detector, which is also how matplotlib plots arrays. Thus, I think we should stick with TSL's sample reference frame but Bruker's PC convention.

@hakonanes hakonanes marked this pull request as ready for review January 12, 2021 14:26
@hakonanes hakonanes merged commit 3ded9ee into pyxem:master Jan 12, 2021
@hakonanes hakonanes deleted the geometrical-ebsd-simulations-notebook branch January 12, 2021 14:27
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