biotite.structure.angle¶
- biotite.structure.angle(atoms1, atoms2, atoms3, box=None)[source]¶
Measure the angle between 3 atoms.
- Parameters
- atoms1, atoms2, atoms3ndarray or Atom or AtomArray or AtomArrayStack
The atoms to measure the angle between. Alternatively an ndarray containing the coordinates can be provided.
- boxndarray, shape=(3,3) or shape=(m,3,3), optional
If this parameter is set, periodic boundary conditions are taken into account (minimum-image convention), based on the box vectors given with this parameter. The shape (m,3,3) is only allowed, when the input coordinates comprise multiple models.
- Returns
- anglefloat or ndarray
The angle(s) between the atoms. The shape is equal to the shape of the input atoms with the highest dimensionality minus the last axis.
See also