generate_directional_simulations#

diffsims.generators.zap_map_generator.generate_directional_simulations(structure, simulator, direction_list, reciprocal_radius=1, **kwargs)[source]#

Produces simulation of a structure aligned with certain axes

Parameters:
  • structure (diffpy.structure.structure.Structure) – The structure from which simulations need to be produced.

  • simulator (DiffractionGenerator) – The diffraction generator object used to produce the simulations

  • direction_list (list of lists) – A list of [UVW] indices, eg. [[1,0,0],[1,1,0]]

  • reciprocal_radius (float) – Default to 1

Returns:

direction_dictionary – Keys are zone axes, values are simulations

Return type:

dict