classmethod StructureLibrary.from_crystal_systems(identifiers, structures, systems, resolution, equal='angle')[source]#

Creates a structure library from crystal system derived orientation lists

  • 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.

  • systems (list) – A list over indentifiers of crystal systems

  • resolution (float) – resolution in degrees

  • equal (str) – Default is ‘angle’


NotImplementedError: – “This function has been removed in version 0.3.0, in favour of creation from orientation lists”