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Geometrical and kinematical Kikuchi pattern simulations for all point groups #537

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@hakonanes hakonanes commented Jun 12, 2022

Description of the change

This PR contains much new functionality, mainly a new kikuchipy.simulations.KikuchiPatternSimulator class for

  1. Correct geometrical simulations for all point groups using the new ReciprocalLatticeVector class in diffsims (replacing kikuchipy.generators.EBSDSimulationGenerator)
  2. Kinematical simulations returning an EBSDMasterPattern

I have to get this released before a workshop at NTNU, so there will only be the bare minimum of documentation and tests.

Fixes: #507, #506, #487.

Progress of the PR

  • Docstrings for all functions
  • Unit tests with pytest for all lines
  • Clean code style by running black via pre-commit
  • Deprecate kikuchipy.generators.EBSDSimulationGenerator
  • Test new KikuchiPatternSimulator class
  • Test new GeometricalKikuchiPatternSimulation class
  • Update simulations notebook
  • Perhaps add conversion from stereographic projection to Lambert projection so that one can project part of the kinematical master patterns to the detector (generate an "EBSD pattern")

Minimal example of the bug fix or new feature

See https://kikuchipy--537.org.readthedocs.build/en/537/user_guide/kikuchi_pattern_simulations.html.

For reviewers

  • The PR title is short, concise, and will make sense 1 year later.
  • New functions are imported in corresponding __init__.py.
  • New features, API changes, and deprecations are mentioned in the unreleased
    section in CHANGELOG.rst.
  • New contributors are added to .all-contributorsrc and the table is regenerated.

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>
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>
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>
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>
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>
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>
@hakonanes hakonanes added the enhancement New feature or request label Jun 12, 2022
@hakonanes hakonanes added this to the v0.6.0 milestone Jun 12, 2022
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>
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>
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>
Signed-off-by: Håkon Wiik Ånes <hwaanes@gmail.com>
Signed-off-by: Håkon Wiik Ånes <hwaanes@gmail.com>
@hakonanes hakonanes force-pushed the geometrical-simulations-all-point-groups branch from 471eda9 to 69abad9 Compare June 14, 2022 08:14
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>
Signed-off-by: Håkon Wiik Ånes <hwaanes@gmail.com>
@hakonanes hakonanes changed the title Geometrical and kinematical simulations for all point groups Geometrical and kinematical Kikuchi pattern simulations for all point groups Jun 14, 2022
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>
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>
…lower

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>
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>
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 deprecation Deprecated functionality port-diffsims Consider porting this functionality to diffsims labels Jun 15, 2022
Signed-off-by: Håkon Wiik Ånes <hwaanes@gmail.com>
@hakonanes hakonanes merged commit ac2cfc7 into pyxem:develop Jun 15, 2022
@hakonanes hakonanes deleted the geometrical-simulations-all-point-groups branch June 15, 2022 23:26
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Geometrical simulations are incorrect for rectangular patterns
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