Added transformation return to orient_principal_components - #934
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nablacart wants to merge 1 commit into
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Added transformation return to orient_principal_components#934nablacart wants to merge 1 commit into
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… in addition to transformed coordinates.
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Modified
transform.orient_principal_componentsto return anAffineTransformationof centering translation and cumulative rotation to align with specified axes, in addition to transformed coordinates. Updated tests to reflect changes.Returning the transformation allows for downstream alignment to a specific component of the input structure.
Validated with:
pixi run -e test test tests/structure/test_transform.py -q: 1135 passed