Package org.rcsb.cif.schema.core

Class Function

java.lang.Object
org.rcsb.cif.schema.DelegatingCategory.DelegatingCifCoreCategory
org.rcsb.cif.schema.core.Function
All Implemented Interfaces:
Category
@Generated("org.rcsb.cif.schema.generator.SchemaGenerator")
public class Function
extends DelegatingCategory.DelegatingCifCoreCategory
The crystallographic functions the invoked in the definition methods of CORE STRUCTURE data items defined and used with in the Crystallographic Information Framework (CIF).

  • Constructor Details

  • Method Details

    • getAtomType

      public StrColumn getAtomType()
      The function r = AtomType( s ) returns an atom type symbol (element name) from the atom site label.
      Returns:
      StrColumn

    • getClosest

      public FloatColumn getClosest()
      The function d = Closest( v, w ) returns the cell translation vector required to obtain the closest cell-translated occurence of the vector V to the vector W.
      Returns:
      FloatColumn

    • getSeitzFromJones

      public FloatColumn getSeitzFromJones()
      The function s = SeitzFromJones( j ) returns a 4x4 Seitz matrix from the Jones faithful representation of the equivalent position which is a character string e.g. 1/2+x,-x,z.
      Returns:
      FloatColumn

    • getSymEquiv

      public FloatColumn getSymEquiv()
      The function xyz' = SymEquiv( symop, xyz ) returns a fractional coordinate vector xyz' which is input vector xyz transformed by the input symop 'n_pqr' applied to the symmetry equivalent matrix extracted from the category space_group_symop.
      Returns:
      FloatColumn

    • getSymKey

      public IntColumn getSymKey()
      The function m = SymKey( s ) returns an integer index to the Seitz matrices from the character string of the form 'n_pqr'.
      Returns:
      IntColumn

    • getSymLat

      public IntColumn getSymLat()
      The function v = SymLat( s ) returns a vector of the cell translations applied to the coordinates from the character string of the form 'n_pqr'. i.e. p-5, q-5, r-5.
      Returns:
      IntColumn

    • getSymop

      public StrColumn getSymop()
      The function s = Symop( n, t ) returns a character string of the form 'n_pqr' where n is the symmetry equivalent site number and [p,q,r] is the cell translation vector PLUS [5,5,5].
      Returns:
      StrColumn