David Cosgrove 21b3c4e6f1 Shape overlay initial start aligned to principal axes (#8999) ...

* Add MolTransforms library.

* Transform to inertial frame of reference before overlay.

* Vital fix of typo in comment.

* Tidy up debugging cruft.

* Comment in CMakeLists.txt.

* Fix python wrappers.

* Extra tidy.

* Response to review.

* Tidy includes.

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Co-authored-by: David Cosgrove <david@cozchemix.co.uk>

2025-12-20 08:35:28 +01:00

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