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Improved BoundedShapes and array typing#55

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timbernat wants to merge 30 commits intomainfrom
better-shapes
Open

Improved BoundedShapes and array typing#55
timbernat wants to merge 30 commits intomainfrom
better-shapes

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@timbernat timbernat commented May 1, 2026

Description

This PR aims to improve consistency, usability, and feature completeness of the mupt.geometry module, especially as pertains to BoundedShape, as well as strengthening array-related typing.

Todos

Notable points that this PR has either accomplished or will accomplish.

  • Resolve Feature additions to BoundedShape and subtypes #10
  • Standardize abstract interface for Shapes
    • Provide uniform contract for surface_mesh() (in terms of a triangulated mesh)
    • Implement support vector calculation
    • Implement uniform scaling interface
    • Add visualize() interface with thin mpl wrapper
    • Add Cylinder/Rod class
  • Decouple BoundedShape from RigidlyTransformable
  • Tighten up numpy-related typehints
  • Fix non-updating visualization for PointCloud in mupt-examples

Questions

  • Should a NullShape class be implemented to avoid NoneType sentinels for unset .shape fields on Primitive?
  • Is it worth adding support for arbitrary mapped labels to points in PointCloud.positions, rather than just int indices?
    DEV: opting for no on both questions

Status

@timbernat timbernat self-assigned this May 1, 2026
@timbernat timbernat added enhancement New feature or request representation Pertaining to how MuPT represents molecular systems internally labels May 1, 2026
@timbernat timbernat changed the title Transferred geometry-related changes from working branch Improved BoundedShapes and array typing May 1, 2026
@timbernat timbernat mentioned this pull request May 1, 2026
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enhancement New feature or request representation Pertaining to how MuPT represents molecular systems internally

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Feature additions to BoundedShape and subtypes

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