Class AxisAligner

Method Details

• getInstance

  public static AxisAligner getInstance(QuatSymmetryResults results)

  Returns an instance of AxisAligner for differnt type of QuatSymmetryResults (factory method)

  Parameters:

  results - symmetry results

  Returns:

  instance of AxisAligner

• getSymmetry

  public abstract String getSymmetry()

• getTransformation

  public abstract javax.vecmath.Matrix4d getTransformation()

• getRotationMatrix

  public abstract javax.vecmath.Matrix3d getRotationMatrix()

• getReverseTransformation

  public abstract javax.vecmath.Matrix4d getReverseTransformation()

• getPrincipalRotationAxis

  public abstract javax.vecmath.Vector3d getPrincipalRotationAxis()

• getRotationReferenceAxis

  public abstract javax.vecmath.Vector3d getRotationReferenceAxis()

• getPrincipalAxesOfInertia

  public abstract javax.vecmath.Vector3d[] getPrincipalAxesOfInertia()

• getDimension

  public abstract javax.vecmath.Vector3d getDimension()

• getRadius

  public abstract double getRadius()

  Returns the radius for drawing polyhedra

  Returns:

  double radius

• getGeometicCenterTransformation

  public abstract javax.vecmath.Matrix4d getGeometicCenterTransformation()

  Returns a transformation matrix transform polyhedra for Cn structures. The center in this matrix is the geometric center, rather then the centroid. In Cn structures those are usually not the same.

  Returns:

• getGeometricCenter

  public abstract javax.vecmath.Point3d getGeometricCenter()

  Returns the geometric center of polyhedron. In the case of the Cn point group, the centroid and geometric center are usually not identical.

  Returns:

• getCentroid

  public abstract javax.vecmath.Point3d getCentroid()

• getSubunits

  public abstract Subunits getSubunits()

• getOrbits

  public abstract List<List<Integer>> getOrbits()