Class SpaceGroupGenerator

All Implemented Interfaces:
Category

@Generated("org.rcsb.cif.schema.generator.SchemaGenerator")
public class SpaceGroupGenerator
extends DelegatingCategory.DelegatingCifCoreCategory
The CATEGORY of data items used to list generators for the space group
  • Constructor Details

  • Method Details

    • getKey

      public StrColumn getKey()
      Arbitrary identifier for each entry in the _space_group_generator.xyz list.
      Returns:
      StrColumn
    • getXyz

      public StrColumn getXyz()
      A parsable string giving one of the symmetry generators of the space group in algebraic form. If W is a matrix representation of the rotational part of the generator defined by the positions and signs of x, y and z, and w is a column of translations defined by the fractions, an equivalent position X' is generated from a given position X by X' = WX + w. (Note: X is used to represent the bold italic x in International Tables for Crystallography Volume A, Section 5.) When a list of symmetry generators is given, it is assumed that the complete list of symmetry operations of the space group (including the identity operation) can be generated through repeated multiplication of the generators, that is, (W3, w3) is an operation of the space group if (W2,w2) and (W1,w1) [where (W1,w1) is applied first] are either operations or generators and: W3 = W2 x W1 w3 = W2 x w1 + w2. Ref: International Tables for Crystallography (2002). Volume A, Space-group symmetry, edited by Th. Hahn, 5th ed. Dordrecht: Kluwer Academic Publishers.
      Returns:
      StrColumn