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major releasePotentially backwards incompatible changes that should go in to the next major releasePotentially backwards incompatible changes that should go in to the next major release
Description
biotite.structure.superimpose() currently returns an AffineTransformation. Multiple aspects could be refactored here:
- As
AffineTransformationrepresents actually a rigid transformation, it would be renamed toRigidTransformation - Currently it uses two translations and a rotation. However a rigid transformation can always be represented by a single translation and rotation, which would make
apply()faster - It would make sense if other function also return a transformation instead of already transformed coordinates:
align_vectors()orient_principal_components()
- Add ability to 'compose' transformations:
__mul__()for combination of transformation__neg__()for to reverse a transformation
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major releasePotentially backwards incompatible changes that should go in to the next major releasePotentially backwards incompatible changes that should go in to the next major release