from_orientation_lists#

classmethod StructureLibrary.from_orientation_lists(identifiers, structures, orientations)[source]#

Creates a structure library from “manual” orientation lists

Parameters:
  • identifiers (list of strings/ints) – A list of phase identifiers referring to different atomic structures.

  • structures (list of diffpy.structure.Structure objects.) – A list of diffpy.structure.Structure objects describing the atomic structure associated with each phase in the library.

  • orientations (list of lists of tuples) – A list over identifiers of lists of euler angles (as tuples) in the rzxz convention and in degrees.

Return type:

StructureLibrary