meshi.energy.hydrogenBond
Class HB_DistanceAttribute

java.lang.Object
  meshi.energy.hydrogenBond.HB_DistanceAttribute

All Implemented Interfaces:

MeshiAttribute

public class HB_DistanceAttribute
extends java.lang.Object
implements MeshiAttribute

Field Summary

double	deDxHAtom
double	deDxOAtom
double	deDyHAtom
double	deDyOAtom
double	deDzHAtom
double	deDzOAtom
double	energy
double	epsilon
Atom	hAtom
boolean	isHbond
static int	key
double	minusTwelveSigma6
Atom	oAtom
HydrogenBondsParameters	parameters
double	sigma
double	sigma6
double	sigma6EpsilonFour

Fields inherited from interface meshi.util.MeshiAttribute

BEAUTIFY_ATTRIBUTE, CN_ATTRIBUTE, DISTANCE_FROM_CATALYTIC_ATTRIBUTE, EXCLUDED_VOLUME_ELEMENT_ATTRIBUTE, GAUSSIAN_ALPHA, GAUSSIAN_ATTRIBUTE, HYDROGEN_BONDS_ATTRIBUTE, LENNARD_JONES_ELEMENT_ATTRIBUTE, LOOP_RESIDUE, ORIGINAL_ATOM, RESIDUE_ATTRIBUTE, RESIDUE_TORSIONS_ATTRIBUTE, SECONDARY_STRUCTURE_ATTRIBUTE, SEQUENCE_ALIGNMENT_COLUMN_ATTRIBUTE, SIDE_CHAIN_SOLVATE_ALL_ATOM_ATTRIBUTE, SOLVATE_ALL_ATOM_ATTRIBUTE, SOLVATE_CA_ATTRIBUTE, SOLVATE_ROT1_ATTRIBUTE, SUMMA_ATTRIBUTE

Constructor Summary

HB_DistanceAttribute(boolean isHbond)

Method Summary

int	key()
void	set(Atom atom1, Atom atom2)
void	set(double deDxOAtom, double deDyOAtom, double deDzOAtom, double deDxHAtom, double deDyHAtom, double deDzHAtom, double energy)
void	set(double deDxOAtom, double deDyOAtom, double deDzOAtom, double deDxHAtom, double deDyHAtom, double deDzHAtom, double energy, Atom oAtom, Atom hAtom)
void	setParameters(HydrogenBondsParameters parameters)

Methods inherited from class java.lang.Object

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

Field Detail

energy

public double energy

deDxOAtom

public double deDxOAtom

deDyOAtom

public double deDyOAtom

deDzOAtom

public double deDzOAtom

deDxHAtom

public double deDxHAtom

deDyHAtom

public double deDyHAtom

deDzHAtom

public double deDzHAtom

oAtom

public Atom oAtom

hAtom

public Atom hAtom

isHbond

public final boolean isHbond

epsilon

public double epsilon

sigma

public double sigma

sigma6

public double sigma6

sigma6EpsilonFour

public double sigma6EpsilonFour

minusTwelveSigma6

public double minusTwelveSigma6

parameters

public HydrogenBondsParameters parameters

key

public static final int key

See Also:

Constant Field Values

Constructor Detail

HB_DistanceAttribute

public HB_DistanceAttribute(boolean isHbond)

Method Detail

setParameters

public void setParameters(HydrogenBondsParameters parameters)

set

public void set(double deDxOAtom,
                double deDyOAtom,
                double deDzOAtom,
                double deDxHAtom,
                double deDyHAtom,
                double deDzHAtom,
                double energy,
                Atom oAtom,
                Atom hAtom)

set

public void set(double deDxOAtom,
                double deDyOAtom,
                double deDzOAtom,
                double deDxHAtom,
                double deDyHAtom,
                double deDzHAtom,
                double energy)

set

public void set(Atom atom1,
                Atom atom2)

key

public final int key()

Specified by:

key in interface MeshiAttribute