Package edu.duke.cs.osprey.energy

Class ResidueForcefieldBreakdown.ByPosition

java.lang.Object

edu.duke.cs.osprey.energy.ResidueForcefieldBreakdown.ByPosition

Enclosing class:

ResidueForcefieldBreakdown

public static class ResidueForcefieldBreakdown.ByPosition
extends Object

Field Summary

Fields

Modifier and Type	Field	Description
final int[]	assignments
final ConfEnergyCalculator	confEcalc
final ResidueForcefieldEnergy	efunc
final EnergyCalculator.EnergiedParametricMolecule	epmol

Constructor Summary

Constructors

Constructor	Description
ByPosition(ConfEnergyCalculator confEcalc, int[] assignments)
ByPosition(ConfEnergyCalculator confEcalc, int[] assignments, EnergyCalculator.EnergiedParametricMolecule epmol)

Method Summary

Modifier and Type	Method	Description
EnergyMatrix	breakdownForcefield(ResidueForcefieldBreakdown.Type type)
EnergyMatrix	breakdownScore(EnergyMatrix emat)
EnergyMatrix	makeEmat()

Methods inherited from class java.lang.Object

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

Field Details

confEcalc

public final ConfEnergyCalculator confEcalc

assignments

public final int[] assignments

epmol

public final EnergyCalculator.EnergiedParametricMolecule epmol

efunc

public final ResidueForcefieldEnergy efunc

Constructor Details

ByPosition

public ByPosition(ConfEnergyCalculator confEcalc,
 int[] assignments)

ByPosition

public ByPosition(ConfEnergyCalculator confEcalc,
 int[] assignments,
 EnergyCalculator.EnergiedParametricMolecule epmol)

Method Details

makeEmat

public EnergyMatrix makeEmat()

breakdownForcefield

public EnergyMatrix breakdownForcefield(ResidueForcefieldBreakdown.Type type)

breakdownScore

public EnergyMatrix breakdownScore(EnergyMatrix emat)