laue_rotations#

anri.crystal.laue_rotations(sym_ops, B)[source]#

Proper rotations of a crystal’s Laue group, as Cartesian matrices S in the crystal frame.

U and U S give the same reflections. Inversion is added (Friedel’s law), so the group is that of the point group’s proper rotations together with those of its improper operations times -1: 24 for m-3m, 12 for m-3 and 6/mmm, 8 for 4/mmm, 6 for 6/m and -3m, 4 for 4/m and mmm, 3 for -3, 2 for 2/m and 1 for -1.

Parameters:

sym_ops (Array | ndarray | bool | number | bool | int | float | complex) – [M, 4, 4] (or [M, 3, 3]) space-group operations on fractional coordinates, e.g. from anri.crystal.symmetry_matrices()
B (Array | ndarray | bool | number | bool | int | float | complex) – [3, 3] reciprocal-space B matrix

Returns:

np.ndarray – [n, 3, 3] rotations, the identity first