Class HydrogenBondCriteria


  • public final class HydrogenBondCriteria
    extends java.lang.Object
    Class representing criteria for identifying hydrogen bonds. See here.
    • Constructor Summary

      Constructors 
      Constructor Description
      HydrogenBondCriteria()
      Instantiates new hydrogen bonds criteria using default boundary values.
      HydrogenBondCriteria​(double minDistanceDA, double maxDistanceDA, double minDistanceHA, double maxDistanceHA, double minAngleDHA, double maxAngleDHA, double minAngleHAAa, double maxAngleHAAa, double minAngleDAAa, double maxAngleDAAa)
      Instantiates new hydrogen bonds criteria using custom boundary values.
    • Method Summary

      All Methods Instance Methods Concrete Methods 
      Modifier and Type Method Description
      boolean equals​(java.lang.Object o)  
      double getMaxAngleDAAa()
      Returns maximum between donor, acceptor and acceptor antecedent.
      double getMaxAngleDHA()
      Returns maximum angle between donor, hydrogen and acceptor.
      double getMaxAngleHAAa()
      Returns maximum between hydrogen, acceptor and acceptor antecedent.
      double getMaxDistanceDA()
      Returns maximum distance between donor and acceptor.
      double getMaxDistanceHA()
      Returns maximum distance between hydrogen and acceptor.
      double getMinAngleDAAa()
      Returns minimum between donor, acceptor and acceptor antecedent.
      double getMinAngleDHA()
      Returns minimum angle between donor, hydrogen and acceptor.
      double getMinAngleHAAa()
      Returns minimum between hydrogen, acceptor and acceptor antecedent.
      double getMinDistanceDA()
      Returns minimum distance between donor and acceptor.
      double getMinDistanceHA()
      Returns minimum distance between hydrogen and acceptor.
      int hashCode()  
      java.lang.String toString()  
      • Methods inherited from class java.lang.Object

        getClass, notify, notifyAll, wait, wait, wait
    • Constructor Detail

      • HydrogenBondCriteria

        public HydrogenBondCriteria()
        Instantiates new hydrogen bonds criteria using default boundary values. See here.
      • HydrogenBondCriteria

        public HydrogenBondCriteria​(double minDistanceDA,
                                    double maxDistanceDA,
                                    double minDistanceHA,
                                    double maxDistanceHA,
                                    double minAngleDHA,
                                    double maxAngleDHA,
                                    double minAngleHAAa,
                                    double maxAngleHAAa,
                                    double minAngleDAAa,
                                    double maxAngleDAAa)
        Instantiates new hydrogen bonds criteria using custom boundary values. See here.
        Parameters:
        minDistanceDA - Minimum distance between donor and acceptor.
        maxDistanceDA - Maximum distance between donor and acceptor.
        minDistanceHA - Minimum distance between hydrogen and acceptor.
        maxDistanceHA - Maximum distance between hydrogen and acceptor.
        minAngleDHA - Minimum angle between donor, hydrogen and acceptor.
        maxAngleDHA - Maximum angle between donor, hydrogen and acceptor.
        minAngleHAAa - Minimum angle between hydrogen, acceptor and acceptor antecedent.
        maxAngleHAAa - Maximum angle between hydrogen, acceptor and acceptor antecedent.
        minAngleDAAa - Minimum angle between donor, acceptor and acceptor antecedent.
        maxAngleDAAa - Maximum angle between donor, acceptor and acceptor antecedent.
    • Method Detail

      • getMinDistanceDA

        public double getMinDistanceDA()
        Returns minimum distance between donor and acceptor.
        Returns:
        Minimum distance between donor and acceptor.
      • getMaxDistanceDA

        public double getMaxDistanceDA()
        Returns maximum distance between donor and acceptor.
        Returns:
        Maximum distance between donor and acceptor.
      • getMinDistanceHA

        public double getMinDistanceHA()
        Returns minimum distance between hydrogen and acceptor.
        Returns:
        Minimum distance between hydrogen and acceptor.
      • getMaxDistanceHA

        public double getMaxDistanceHA()
        Returns maximum distance between hydrogen and acceptor.
        Returns:
        Maximum distance between hydrogen and acceptor.
      • getMinAngleDHA

        public double getMinAngleDHA()
        Returns minimum angle between donor, hydrogen and acceptor.
        Returns:
        Minimum angle between donor, hydrogen and acceptor.
      • getMaxAngleDHA

        public double getMaxAngleDHA()
        Returns maximum angle between donor, hydrogen and acceptor.
        Returns:
        Maximum angle between donor, hydrogen and acceptor.
      • getMinAngleHAAa

        public double getMinAngleHAAa()
        Returns minimum between hydrogen, acceptor and acceptor antecedent.
        Returns:
        Minimum between hydrogen, acceptor and acceptor antecedent.
      • getMaxAngleHAAa

        public double getMaxAngleHAAa()
        Returns maximum between hydrogen, acceptor and acceptor antecedent.
        Returns:
        Maximum between hydrogen, acceptor and acceptor antecedent.
      • getMinAngleDAAa

        public double getMinAngleDAAa()
        Returns minimum between donor, acceptor and acceptor antecedent.
        Returns:
        Minimum between donor, acceptor and acceptor antecedent.
      • getMaxAngleDAAa

        public double getMaxAngleDAAa()
        Returns maximum between donor, acceptor and acceptor antecedent.
        Returns:
        Maximum between donor, acceptor and acceptor antecedent.
      • equals

        public boolean equals​(java.lang.Object o)
        Overrides:
        equals in class java.lang.Object
      • hashCode

        public int hashCode()
        Overrides:
        hashCode in class java.lang.Object
      • toString

        public java.lang.String toString()
        Overrides:
        toString in class java.lang.Object