Class XtalSymmetry.FileSymmetry

java.lang.Object
org.jmol.symmetry.Symmetry
org.jmol.adapter.smarter.XtalSymmetry.FileSymmetry
All Implemented Interfaces:
SymmetryInterface
Enclosing class:
XtalSymmetry

public static class XtalSymmetry.FileSymmetry extends Symmetry
A class only used by adapter.smarter.XtalSymmetry while building the file-based model.
  • Constructor Details

    • FileSymmetry

      public FileSymmetry()
  • Method Details

    • addLatticeVectors

      public boolean addLatticeVectors(Lst<float[]> lattvecs)
    • addSubSystemOp

      public String addSubSystemOp(String code, Matrix rs, Matrix vs, Matrix sigma)
      Parameters:
      code -
      rs - is a full (3+d)x(3+d) array of epsilons
      vs - is a (3+d)x(1) array of translations
      sigma -
      Returns:
      Jones-Faithful representation
    • checkDistance

      public boolean checkDistance(P3 f1, P3 f2, float distance, float dx, int iRange, int jRange, int kRange, P3 ptOffset)
    • createSpaceGroup

      public boolean createSpaceGroup(int desiredSpaceGroupIndex, String name, Object data, int modDim)
      Parameters:
      desiredSpaceGroupIndex -
      name -
      data - a Lst or Lst
      modDim - in [3+d] modulation dimension
      Returns:
      true if a known space group
    • fcoord

      public String fcoord(T3 p)
    • getMatrixFromString

      public void getMatrixFromString(String xyz, float[] rotTransMatrix)
      MMCifReader only
      Parameters:
      xyz -
      rotTransMatrix -
    • getSpaceGroupOperationCode

      public String getSpaceGroupOperationCode(int iOp)
    • getTensor

      public Tensor getTensor(Viewer vwr, float[] parBorU)
    • getSpaceGroupTitle

      public String getSpaceGroupTitle()
    • setPrecision

      public void setPrecision(float prec)
    • toFractionalM

      public void toFractionalM(M4 m)
    • toUnitCellRnd

      public void toUnitCellRnd(T3 pt, T3 offset)
    • twelfthify

      public void twelfthify(P3 pt)
    • addInversion

      public void addInversion()