httk.atomistic.io.cif.cif_tags

CIF data names after httk.atomistic.io.cif.cif_reader.read_cif() has normalized them.

Attributes

CIF_TAGS

Classes

CifTags

Hold normalized spellings of the special-purpose CIF data names this package consults.

Module Contents

class httk.atomistic.io.cif.cif_tags.CifTags

Bases: TypedDict

Hold normalized spellings of the special-purpose CIF data names this package consults.

Parameters:

  • structural_q – Normalized tags for the structural modulation wave-vector components.

  • structural_displacement_label – Tag identifying structurally displaced atom labels.

  • structural_occupancy_label – Tag identifying structurally modulated occupancy labels.

  • magnetic_cartesian_moment – Normalized tags for Cartesian magnetic-moment components.

  • magnetic_fourier_coeff – Template for magnetic Fourier coefficient tags.

  • magnetic_fourier_label – Tag identifying magnetically modulated atom labels.

  • magnetic_ssg_name – Tag identifying the magnetic superspace-group name.

structural_q: tuple[str, ...]
structural_displacement_label: str
structural_occupancy_label: str
magnetic_cartesian_moment: tuple[str, ...]
magnetic_fourier_coeff: str
magnetic_fourier_label: str
magnetic_ssg_name: str
httk.atomistic.io.cif.cif_tags.CIF_TAGS: CifTags