Class SpaceGroup

java.lang.Object
org.jmol.symmetry.SpaceGroup
All Implemented Interfaces:
Cloneable

public class SpaceGroup extends Object implements Cloneable
A general class to deal with Hermann-Mauguin or Hall names Bob Hanson 9/2006 references: International Tables for Crystallography Vol. A. (2002) http://www.iucr.org/iucr-top/cif/cifdic_html/1/cif_core.dic/Ispace_group_symop_operation_xyz.html http://www.iucr.org/iucr-top/cif/cifdic_html/1/cif_core.dic/Isymmetry_equiv_pos_as_xyz.html Hall symbols: https://cci.lbl.gov/sginfo/hall_symbols.html and https://cci.lbl.gov/cctbx/explore_symmetry.html (-)L [N_A^T_1] [N_A^T_2] ... [N_A^T_P] V(Nx Ny Nz) lattice types S and T are not supported here data table is from Syd Hall, private email, 9/4/2006, amended using * ** to indicate nonstandard H-M symbols or full names amended 2024.03.24 to add several ITA settings; full set of ITA settings are now encoded. NEVER ACCESS THESE METHODS DIRECTLY! ONLY THROUGH CLASS Symmetry
  • Field Details

    • operations

      public SymmetryOperation[] operations
    • isSSG

      public boolean isSSG
    • displayName

      public String displayName
  • Method Details

    • createSpaceGroup

      public static SpaceGroup createSpaceGroup(int desiredSpaceGroupIndex, String name, Object data, int modDim)
    • getItaIndex

      public String getItaIndex()
    • getIndex

      public int getIndex()
    • addSymmetry

      public int addSymmetry(String xyz, int opId, boolean allowScaling)
      Parameters:
      xyz -
      opId - generally 0; -1 for subsystems
      allowScaling - generally false; true for subsystems
      Returns:
      index
    • findSpaceGroupFromXYZ

      public static SpaceGroup findSpaceGroupFromXYZ(String xyzList)
    • dumpInfo

      public String dumpInfo()
      Returns:
      detailed information
    • toString

      public String toString()
      Overrides:
      toString in class Object
    • asString

      public String asString()
    • getDisplayName

      public String getDisplayName()
    • addLatticeVectors

      public boolean addLatticeVectors(Lst<float[]> lattvecs)
      Parameters:
      lattvecs - could be magnetic centering, in which case there is an additional lattice parameter that is time reversal
      Returns:
      true if successful