Class QuatSymmetrySubunits


  • public class QuatSymmetrySubunits
    extends java.lang.Object
    A bean to represent information about the set of Subunits being considered for symmetry detection. This class is a helper for the QuatSymmetryDetector algorithm, since it calculates and caches the MomentsOfInertia and the centroids of each Subunit.
    Author:
    Peter Rose, Aleix Lafita
    • Constructor Detail

      • QuatSymmetrySubunits

        public QuatSymmetrySubunits​(java.util.List<SubunitCluster> clusters)
        Converts the List of SubunitCluster to a Subunit object.
        Parameters:
        clusters - List of SubunitCluster
    • Method Detail

      • getTraces

        public java.util.List<javax.vecmath.Point3d[]> getTraces()
      • getClusterIds

        public java.util.List<java.lang.Integer> getClusterIds()
      • getChainIds

        public java.util.List<java.lang.String> getChainIds()
        This method is provisional and should only be used for coloring Subunits. A new coloring schema has to be implemented to allow the coloring of Subunits, without implying one Subunit = one Chain.
        Returns:
        A List of the Chain Ids of each Subunit
      • getModelNumbers

        public java.util.List<java.lang.Integer> getModelNumbers()
        This method is provisional and should only be used for coloring Subunits. A new coloring schema has to be implemented to allow the coloring of Subunits, without implying one Subunit = one Chain.
        Returns:
        A List of the Model number of each Subunit
      • getSubunitCount

        public int getSubunitCount()
      • getFolds

        public java.util.List<java.lang.Integer> getFolds()
      • getCalphaCount

        public int getCalphaCount()
      • getLargestSubunit

        public int getLargestSubunit()
      • getCenters

        public java.util.List<javax.vecmath.Point3d> getCenters()
      • getUnitVectors

        public java.util.List<javax.vecmath.Vector3d> getUnitVectors()
      • getOriginalCenters

        public java.util.List<javax.vecmath.Point3d> getOriginalCenters()
      • getCentroid

        public javax.vecmath.Point3d getCentroid()
      • getLowerBound

        public javax.vecmath.Point3d getLowerBound()
      • getUpperBound

        public javax.vecmath.Point3d getUpperBound()