Package etomica.nbr.molecule

Class PotentialMasterNbrMolecular

java.lang.Object

etomica.potential.PotentialMaster

etomica.nbr.molecule.PotentialMasterNbrMolecular

Direct Known Subclasses:

PotentialMasterListMolecular

public abstract class PotentialMasterNbrMolecular
extends PotentialMaster

Nested Class Summary

Nested classes/interfaces inherited from class etomica.potential.PotentialMaster

PotentialMaster.AtomIterator0, PotentialMaster.MoleculeIterator0, PotentialMaster.PotentialLinker

Field Summary

Fields

Modifier and Type	Field	Description
protected IPotential[]	allPotentials
protected BoxAgentManager<? extends BoxCellManager>	boxAgentManager
protected BoxAgentManager.BoxAgentSource<? extends BoxCellManager>	boxAgentSource
protected SpeciesAgentManager<PotentialArrayMolecular>	rangedAgentManager
protected Simulation	simulation
protected SpeciesAgentManager<PotentialArrayMolecular>	speciesAgentManager

Fields inherited from class etomica.potential.PotentialMaster

enabled, isPotentialHard, iteratorFactory, lrcMaster, potentialList

Constructor Summary

Constructors

Modifier	Constructor	Description
protected	PotentialMasterNbrMolecular(Simulation sim, BoxAgentManager.BoxAgentSource<? extends BoxCellManager> boxAgentSource, BoxAgentManager<? extends BoxCellManager> boxAgentManager)

Method Summary

Modifier and Type	Method	Description
void	addPotential(IPotentialMolecular potential, ISpecies[] species)	Indicates to the PotentialMaster that the given potential should apply to the specified species.
protected void	addRangedPotential(IPotentialMolecular potential, ISpecies species)
protected abstract void	addRangedPotentialForSpecies(IPotentialMolecular subPotential, ISpecies[] species)
BoxAgentManager<? extends BoxCellManager>	getCellAgentManager()
PotentialArrayMolecular	getIntraPotentials(ISpecies atomType)
PotentialArrayMolecular	getRangedPotentials(ISpecies species)
Simulation	getSimulation()	Returns the simulation associated with this PotentialMaster
PotentialGroup	makePotentialGroup(int nBody)	Returns an nBody PotentialGroup appropriate for this type of PotentialMaster.
void	removePotential(IPotentialMolecular potential)	Removes given potential from the group.

Methods inherited from class java.lang.Object

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

Methods inherited from class etomica.potential.PotentialMaster

addPotential, addPotential, calculate, getPotential, getPotentials, getSpecies, isEnabled, isEnabled, isEnabled, isPotentialHard, lrcMaster, potentialAddedNotify, removePotential, setEnabled, setEnabled, setEnabled, setPotentialHard

Field Detail

rangedAgentManager

protected final SpeciesAgentManager<PotentialArrayMolecular> rangedAgentManager

speciesAgentManager

protected final SpeciesAgentManager<PotentialArrayMolecular> speciesAgentManager

simulation

protected final Simulation simulation

allPotentials

protected IPotential[] allPotentials

boxAgentSource

protected BoxAgentManager.BoxAgentSource<? extends BoxCellManager> boxAgentSource

boxAgentManager

protected BoxAgentManager<? extends BoxCellManager> boxAgentManager

Constructor Detail

PotentialMasterNbrMolecular

protected PotentialMasterNbrMolecular(Simulation sim,
                                      BoxAgentManager.BoxAgentSource<? extends BoxCellManager> boxAgentSource,
                                      BoxAgentManager<? extends BoxCellManager> boxAgentManager)

Method Detail

makePotentialGroup

public PotentialGroup makePotentialGroup(int nBody)

Description copied from class: PotentialMaster

Returns an nBody PotentialGroup appropriate for this type of PotentialMaster.

Overrides:

makePotentialGroup in class PotentialMaster

addPotential

public void addPotential(IPotentialMolecular potential,
                         ISpecies[] species)

Description copied from class: PotentialMaster

Indicates to the PotentialMaster that the given potential should apply to the specified species. Exception is thrown if the potential.nBody() value is different from the length of the species array. Thus, for example, if giving a 2-body potential, then the array should contain exactly two species; the species may refer to the same instance (appropriate for an intra-species potential, defining the interactions between molecules of the same species).

Overrides:

addPotential in class PotentialMaster

addRangedPotentialForSpecies

protected abstract void addRangedPotentialForSpecies(IPotentialMolecular subPotential,
                                                     ISpecies[] species)

addRangedPotential

protected void addRangedPotential(IPotentialMolecular potential,
                                  ISpecies species)

removePotential

public void removePotential(IPotentialMolecular potential)

Description copied from class: PotentialMaster

Removes given potential from the group. No error is generated if potential is not in group.

Overrides:

removePotential in class PotentialMaster

getRangedPotentials

public PotentialArrayMolecular getRangedPotentials(ISpecies species)

getIntraPotentials

public PotentialArrayMolecular getIntraPotentials(ISpecies atomType)

getCellAgentManager

public final BoxAgentManager<? extends BoxCellManager> getCellAgentManager()

getSimulation

public Simulation getSimulation()

Returns the simulation associated with this PotentialMaster