meshi.energy.hydrogenBondsAngle
Class HBondsPunishOHNAngleEnergyElement

java.lang.Object
  meshi.energy.EnergyElement
      meshi.energy.pairwiseNonBondedTerms.NonBondedEnergyElement
          meshi.energy.hydrogenBondsAngle.AbstractPunishAngleEnergyElement
              meshi.energy.hydrogenBondsAngle.HBondsPunishOHNAngleEnergyElement

public class HBondsPunishOHNAngleEnergyElement
extends AbstractPunishAngleEnergyElement

Field Summary

Fields inherited from class meshi.energy.hydrogenBondsAngle.AbstractPunishAngleEnergyElement

a1, a2, angle, angleEnergy, angleValue, angleValue2, atom1, atom2, b1, b2, c1, c2, dAngleEnergyDAngle, dAngleEnergyDxHAtom, dAngleEnergyDxOAtom, dAngleEnergyDxTheidAtom, dAngleEnergyDyHAtom, dAngleEnergyDyOAtom, dAngleEnergyDyTheidAtom, dAngleEnergyDzHAtom, dAngleEnergyDzOAtom, dAngleEnergyDzTheidAtom, dDistanceEnergy_Ddistance, dDistanceEnergyDx, dDistanceEnergyDxHAtom, dDistanceEnergyDxOAtom, dDistanceEnergyDy, dDistanceEnergyDyHAtom, dDistanceEnergyDyOAtom, dDistanceEnergyDz, dDistanceEnergyDzHAtom, dDistanceEnergyDzOAtom, deDxHAtom, deDxOAtom, deDxTheidAtom, deDyHAtom, deDyOAtom, deDyTheidAtom, deDzHAtom, deDzOAtom, deDzTheidAtom, distance, distanceEnergy, distanceMatrix, distanceValue, distanceValue2, energy, hAtom, hFactor, oAtom, oFactor, theirdAtom, weight, X_ANGLE, X_ANGLE2, X_MAX, X_MAX2, y1X_Angle2

Fields inherited from class meshi.energy.EnergyElement

atoms, dFormatSrt, dFormatStd, DX, frozen, relativeDiffTolerance, VERY_SMALL, XYZ

Constructor Summary

HBondsPunishOHNAngleEnergyElement(DistanceMatrix distanceMatrix, double weight)

HBondsPunishOHNAngleEnergyElement(DistanceMatrix distanceMatrix, double weight, double xMax)

HBondsPunishOHNAngleEnergyElement(DistanceMatrix distanceMatrix, double weight, double xMAx, double maxAngle)

Method Summary

java.lang.String	comment()
boolean	setAngle()
void	setDAngleEnergyDatoms()
void	setTheirdAtom()
java.lang.String	toString()
void	updateTheirdAtom()
void	updateTheirdAtom(double weight)

Methods inherited from class meshi.energy.hydrogenBondsAngle.AbstractPunishAngleEnergyElement

evaluate, evaluate, set, setAtoms, updateAtoms, updateAtoms, updateEnergy

Methods inherited from class meshi.energy.EnergyElement

atoms, evaluateAtoms, frozen, test, updateFrozen

Methods inherited from class java.lang.Object

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

Constructor Detail

HBondsPunishOHNAngleEnergyElement

public HBondsPunishOHNAngleEnergyElement(DistanceMatrix distanceMatrix,
                                         double weight)

HBondsPunishOHNAngleEnergyElement

public HBondsPunishOHNAngleEnergyElement(DistanceMatrix distanceMatrix,
                                         double weight,
                                         double xMax)

HBondsPunishOHNAngleEnergyElement

public HBondsPunishOHNAngleEnergyElement(DistanceMatrix distanceMatrix,
                                         double weight,
                                         double xMAx,
                                         double maxAngle)

Method Detail

comment

public java.lang.String comment()

Specified by:

comment in class AbstractPunishAngleEnergyElement

setTheirdAtom

public void setTheirdAtom()

Specified by:

setTheirdAtom in class AbstractPunishAngleEnergyElement

setDAngleEnergyDatoms

public void setDAngleEnergyDatoms()

Specified by:

setDAngleEnergyDatoms in class AbstractPunishAngleEnergyElement

setAngle

public boolean setAngle()

Specified by:

setAngle in class AbstractPunishAngleEnergyElement

updateTheirdAtom

public void updateTheirdAtom()

Specified by:

updateTheirdAtom in class AbstractPunishAngleEnergyElement

updateTheirdAtom

public void updateTheirdAtom(double weight)

Specified by:

updateTheirdAtom in class AbstractPunishAngleEnergyElement

toString

public java.lang.String toString()

Overrides:

toString in class java.lang.Object