Package org.rcsb.cif.schema.core

Class SpaceGroupWyckoff

java.lang.Object
org.rcsb.cif.schema.DelegatingCategory.DelegatingCifCoreCategory
org.rcsb.cif.schema.core.SpaceGroupWyckoff
All Implemented Interfaces:
Category
@Generated("org.rcsb.cif.schema.generator.SchemaGenerator")
public class SpaceGroupWyckoff
extends DelegatingCategory.DelegatingCifCoreCategory
Contains information about Wyckoff positions of a space group. Only one site can be given for each special position but the remainder can be generated by applying the symmetry operations stored in _space_group_symop.operation_xyz.

  • Constructor Details

  • Method Details

    • getCoordsXyz

      public StrColumn getCoordsXyz()
      Coordinates of one site of a Wyckoff position expressed in terms of its fractional coordinates (x,y,z) in the unit cell. To generate the coordinates of all sites of this Wyckoff position, it is necessary to multiply these coordinates by the symmetry operations stored in _space_group_symop.operation_xyz.
      Returns:
      StrColumn

    • getId

      public StrColumn getId()
      An arbitrary code that is unique to a particular Wyckoff position.
      Returns:
      StrColumn

    • getLetter

      public StrColumn getLetter()
      The Wyckoff letter associated with this position, as given in International Tables for Crystallography Volume A. The enumeration value '\a' corresponds to the Greek letter 'alpha' used in International Tables. Ref: International Tables for Crystallography (2002). Volume A, Space-group symmetry, edited by Th. Hahn, 5th ed. Dordrecht: Kluwer Academic Publishers.
      Returns:
      StrColumn

    • getMultiplicity

      public IntColumn getMultiplicity()
      The multiplicity of this Wyckoff position as given in International Tables Volume A. It is the number of equivalent sites per conventional unit cell. Ref: International Tables for Crystallography (2002). Volume A, Space-group symmetry, edited by Th. Hahn, 5th ed. Dordrecht: Kluwer Academic Publishers.
      Returns:
      IntColumn

    • getSiteSymmetry

      public StrColumn getSiteSymmetry()
      The subgroup of the space group that leaves the point fixed. It is isomorphic to a subgroup of the point group of the space group. The site-symmetry symbol indicates the symmetry in the symmetry direction determined by the Hermann-Mauguin symbol of the space group (see International Tables for Crystallography Volume A, Section 2.2.12). Ref: International Tables for Crystallography (2002). Volume A, Space-group symmetry, edited by Th. Hahn, 5th ed. Dordrecht: Kluwer Academic Publishers.
      Returns:
      StrColumn