Class QsAlignParameters


  • public class QsAlignParameters
    extends java.lang.Object
    The parameter bean for the QsAlign algorithm.
    Since:
    5.0.0
    Author:
    Aleix Lafita
    • Method Summary

      All Methods Instance Methods Concrete Methods 
      Modifier and Type Method Description
      double getdCutoff()
      The maximum allowed distance between the centroids of two equivalent Subunits, in A.
      double getMaxOrientationAngle()
      The maximum orientation angle between two equivalent Subunits, in radians.
      double getMaxRmsd()
      The maximum allowed RMSD of the alignment, in A.
      void setdCutoff​(double dCutoff)
      The maximum allowed distance between the centroids of two equivalent Subunits, in A.
      void setMaxOrientationAngle​(double maxOrientationAngle)
      The maximum orientation angle between two equivalent Subunits, in radians.
      void setMaxRmsd​(double maxRmsd)
      The maximum allowed RMSD of the alignment, in A.
      • Methods inherited from class java.lang.Object

        clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait
    • Constructor Detail

      • QsAlignParameters

        public QsAlignParameters()
    • Method Detail

      • getdCutoff

        public double getdCutoff()
        The maximum allowed distance between the centroids of two equivalent Subunits, in A.
        Returns:
        dCutoff
      • setdCutoff

        public void setdCutoff​(double dCutoff)
        The maximum allowed distance between the centroids of two equivalent Subunits, in A.
        Parameters:
        dCutoff -
      • getMaxRmsd

        public double getMaxRmsd()
        The maximum allowed RMSD of the alignment, in A.
        Returns:
        maxRmsd
      • setMaxRmsd

        public void setMaxRmsd​(double maxRmsd)
        The maximum allowed RMSD of the alignment, in A.
        Parameters:
        maxRmsd -
      • getMaxOrientationAngle

        public double getMaxOrientationAngle()
        The maximum orientation angle between two equivalent Subunits, in radians. Range [0, Pi].
        Returns:
        the maximum orientation angle
      • setMaxOrientationAngle

        public void setMaxOrientationAngle​(double maxOrientationAngle)
        The maximum orientation angle between two equivalent Subunits, in radians. Range [0, Pi].
        Parameters:
        maxOrientationAngle - maximum orientation angle