get_points_in_sphere#

diffsims.utils.sim_utils.get_points_in_sphere(reciprocal_lattice, reciprocal_radius)[source]#

Finds all reciprocal lattice points inside a given reciprocal sphere. Utilised within the DiffractionGenerator.

Parameters:
  • reciprocal_lattice (diffpy.Structure.Lattice) – The reciprocal crystal lattice for the structure of interest.

  • reciprocal_radius (float) – The radius of the sphere in reciprocal space (units of reciprocal Angstroms) within which reciprocal lattice points are returned.

Returns:

  • spot_indices (numpy.array) – Miller indices of reciprocal lattice points in sphere.

  • cartesian_coordinates (numpy.array) – Cartesian coordinates of reciprocal lattice points in sphere.

  • spot_distances (numpy.array) – Distance of reciprocal lattice points in sphere from the origin.