Class QsAlignParameters


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