meshi.energy.hydrogenBondsPairs
Class HydrogenBondsPairsParameters

java.lang.Object
  meshi.energy.hydrogenBondsPairs.HydrogenBondsPairsParameters

All Implemented Interfaces:

java.lang.Comparable, Parameters

public class HydrogenBondsPairsParameters
extends java.lang.Object
implements java.lang.Comparable, Parameters

Field Summary

int	firstHBSeqGap Key values: firstHBSeqGap = the gap between the two atoms in the first HB (O1-H1) secondHBSeqGap = the gap between the two atoms in the second HB (O2-H2) h1h2SeqGap = the gap between the two Hydrogens o1o2SeqGap = the gap between the two Oxygens h1o2SeqGap = the gap between the H of the first HB and the O of the second HB o1h2SeqGap = the gap between the O of the first HB and the H of the second HB value is proportionaly to the friquency of such pair of HBs in the data base
int	h1h2SeqGap Key values: firstHBSeqGap = the gap between the two atoms in the first HB (O1-H1) secondHBSeqGap = the gap between the two atoms in the second HB (O2-H2) h1h2SeqGap = the gap between the two Hydrogens o1o2SeqGap = the gap between the two Oxygens h1o2SeqGap = the gap between the H of the first HB and the O of the second HB o1h2SeqGap = the gap between the O of the first HB and the H of the second HB value is proportionaly to the friquency of such pair of HBs in the data base
int	h1o2SeqGap Key values: firstHBSeqGap = the gap between the two atoms in the first HB (O1-H1) secondHBSeqGap = the gap between the two atoms in the second HB (O2-H2) h1h2SeqGap = the gap between the two Hydrogens o1o2SeqGap = the gap between the two Oxygens h1o2SeqGap = the gap between the H of the first HB and the O of the second HB o1h2SeqGap = the gap between the O of the first HB and the H of the second HB value is proportionaly to the friquency of such pair of HBs in the data base
int	o1h2SeqGap Key values: firstHBSeqGap = the gap between the two atoms in the first HB (O1-H1) secondHBSeqGap = the gap between the two atoms in the second HB (O2-H2) h1h2SeqGap = the gap between the two Hydrogens o1o2SeqGap = the gap between the two Oxygens h1o2SeqGap = the gap between the H of the first HB and the O of the second HB o1h2SeqGap = the gap between the O of the first HB and the H of the second HB value is proportionaly to the friquency of such pair of HBs in the data base
int	o1o2SeqGap Key values: firstHBSeqGap = the gap between the two atoms in the first HB (O1-H1) secondHBSeqGap = the gap between the two atoms in the second HB (O2-H2) h1h2SeqGap = the gap between the two Hydrogens o1o2SeqGap = the gap between the two Oxygens h1o2SeqGap = the gap between the H of the first HB and the O of the second HB o1h2SeqGap = the gap between the O of the first HB and the H of the second HB value is proportionaly to the friquency of such pair of HBs in the data base
int	secondHBSeqGap Key values: firstHBSeqGap = the gap between the two atoms in the first HB (O1-H1) secondHBSeqGap = the gap between the two atoms in the second HB (O2-H2) h1h2SeqGap = the gap between the two Hydrogens o1o2SeqGap = the gap between the two Oxygens h1o2SeqGap = the gap between the H of the first HB and the O of the second HB o1h2SeqGap = the gap between the O of the first HB and the H of the second HB value is proportionaly to the friquency of such pair of HBs in the data base
private int	value

Constructor Summary

	HydrogenBondsPairsParameters(int firstHBGap, int secondHBGap, int h1h2Gap, int o1o2Gap, int h1o2Gap, int o1h2Gap)
	HydrogenBondsPairsParameters(int firstHBGap, int secondHBGap, int h1h2Gap, int o1o2Gap, int h1o2Gap, int o1h2Gap, int value)
	HydrogenBondsPairsParameters(java.lang.String line)
private	HydrogenBondsPairsParameters(java.util.StringTokenizer line)

Method Summary

int	compareTo(java.lang.Object obj)
java.lang.String	toString()
int	value()

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, wait, wait, wait

Field Detail

firstHBSeqGap

public final int firstHBSeqGap

Key values: firstHBSeqGap = the gap between the two atoms in the first HB (O1-H1) secondHBSeqGap = the gap between the two atoms in the second HB (O2-H2) h1h2SeqGap = the gap between the two Hydrogens o1o2SeqGap = the gap between the two Oxygens h1o2SeqGap = the gap between the H of the first HB and the O of the second HB o1h2SeqGap = the gap between the O of the first HB and the H of the second HB value is proportionaly to the friquency of such pair of HBs in the data base

secondHBSeqGap

public final int secondHBSeqGap

Key values: firstHBSeqGap = the gap between the two atoms in the first HB (O1-H1) secondHBSeqGap = the gap between the two atoms in the second HB (O2-H2) h1h2SeqGap = the gap between the two Hydrogens o1o2SeqGap = the gap between the two Oxygens h1o2SeqGap = the gap between the H of the first HB and the O of the second HB o1h2SeqGap = the gap between the O of the first HB and the H of the second HB value is proportionaly to the friquency of such pair of HBs in the data base

h1h2SeqGap

public final int h1h2SeqGap

Key values: firstHBSeqGap = the gap between the two atoms in the first HB (O1-H1) secondHBSeqGap = the gap between the two atoms in the second HB (O2-H2) h1h2SeqGap = the gap between the two Hydrogens o1o2SeqGap = the gap between the two Oxygens h1o2SeqGap = the gap between the H of the first HB and the O of the second HB o1h2SeqGap = the gap between the O of the first HB and the H of the second HB value is proportionaly to the friquency of such pair of HBs in the data base

o1o2SeqGap

public final int o1o2SeqGap

Key values: firstHBSeqGap = the gap between the two atoms in the first HB (O1-H1) secondHBSeqGap = the gap between the two atoms in the second HB (O2-H2) h1h2SeqGap = the gap between the two Hydrogens o1o2SeqGap = the gap between the two Oxygens h1o2SeqGap = the gap between the H of the first HB and the O of the second HB o1h2SeqGap = the gap between the O of the first HB and the H of the second HB value is proportionaly to the friquency of such pair of HBs in the data base

h1o2SeqGap

public final int h1o2SeqGap

Key values: firstHBSeqGap = the gap between the two atoms in the first HB (O1-H1) secondHBSeqGap = the gap between the two atoms in the second HB (O2-H2) h1h2SeqGap = the gap between the two Hydrogens o1o2SeqGap = the gap between the two Oxygens h1o2SeqGap = the gap between the H of the first HB and the O of the second HB o1h2SeqGap = the gap between the O of the first HB and the H of the second HB value is proportionaly to the friquency of such pair of HBs in the data base

o1h2SeqGap

public final int o1h2SeqGap

Key values: firstHBSeqGap = the gap between the two atoms in the first HB (O1-H1) secondHBSeqGap = the gap between the two atoms in the second HB (O2-H2) h1h2SeqGap = the gap between the two Hydrogens o1o2SeqGap = the gap between the two Oxygens h1o2SeqGap = the gap between the H of the first HB and the O of the second HB o1h2SeqGap = the gap between the O of the first HB and the H of the second HB value is proportionaly to the friquency of such pair of HBs in the data base

value

private int value

Constructor Detail

HydrogenBondsPairsParameters

public HydrogenBondsPairsParameters(java.lang.String line)

HydrogenBondsPairsParameters

private HydrogenBondsPairsParameters(java.util.StringTokenizer line)

HydrogenBondsPairsParameters

public HydrogenBondsPairsParameters(int firstHBGap,
                                    int secondHBGap,
                                    int h1h2Gap,
                                    int o1o2Gap,
                                    int h1o2Gap,
                                    int o1h2Gap)

HydrogenBondsPairsParameters

public HydrogenBondsPairsParameters(int firstHBGap,
                                    int secondHBGap,
                                    int h1h2Gap,
                                    int o1o2Gap,
                                    int h1o2Gap,
                                    int o1h2Gap,
                                    int value)

Method Detail

value

public final int value()

toString

public java.lang.String toString()

Overrides:

toString in class java.lang.Object

compareTo

public int compareTo(java.lang.Object obj)

Specified by:

compareTo in interface java.lang.Comparable