biotite.structure.AffineTransformation

class biotite.structure.AffineTransformation(center_translation, rotation, target_translation)[source]

Bases: object

An affine transformation, consisting of translations and a rotation.

Parameters
center_translationndarray, shape=(3,) or shape=(m,3), dtype=float

The translation vector for moving the centroid into the origin.

rotationndarray, shape=(3,3) or shape=(m,3,3), dtype=float

The rotation matrix.

target_translationndarray, shape=(m,3), dtype=float

The translation vector for moving the structure onto the fixed one.

Attributes
center_translation, rotation, target_translationndarray

Same as the parameters.

apply(atoms)

Apply this transformation on the given structure.

Parameters
atomsAtomArray or AtomArrayStack or ndarray, shape(n,), dtype=float or ndarray, shape(m,n), dtype=float

The structure to apply the transformation on.

Returns
transformedAtomArray or AtomArrayStack or ndarray, shape(n,), dtype=float or ndarray, shape(m,n), dtype=float

A copy of the atoms structure, with transformations applied. Only coordinates are returned, if coordinates were given in atoms.