Package etomica.nbr.site

Class PotentialMasterSite

java.lang.Object

etomica.potential.PotentialMaster

etomica.nbr.PotentialMasterNbr

etomica.nbr.site.PotentialMasterSite

public class PotentialMasterSite
extends PotentialMasterNbr

Nested Class Summary

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

PotentialMaster.AtomIterator0, PotentialMaster.MoleculeIterator0, PotentialMaster.PotentialLinker

Field Summary

Fields inherited from class etomica.potential.PotentialMaster

enabled, isPotentialHard, iteratorFactory, lrcMaster, potentialList

Fields inherited from class etomica.nbr.PotentialMasterNbr

criteria, criteria1Body, potentials0body, rangedPotentials, rangedPotentials1Body, simulation

Constructor Summary

Constructors

Modifier	Constructor	Description
protected	PotentialMasterSite(Simulation sim, int nCells)
	PotentialMasterSite(Simulation sim, int nCells, Space space)	Invokes superclass constructor, specifying IteratorFactoryCell for generating molecule iterators.

Method Summary

Modifier and Type	Method	Description
protected void	addRangedPotentialForTypes(IPotentialAtomic potential, AtomType[] atomType)
void	calculate(Box box, IteratorDirective id, PotentialCalculation pc)	Performs the given PotentialCalculation on the atoms of the given Box.
void	calculate(Box box, PotentialCalculation pc, boolean includeLrc)
BoxCellManager	getBoxCellManager(Box box)
int	getCellRange()
void	setCellRange(int newCellRange)

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, getPotential, getPotentials, getSpecies, isEnabled, isEnabled, isEnabled, isPotentialHard, lrcMaster, removePotential, setEnabled, setEnabled, setEnabled, setPotentialHard

Methods inherited from class etomica.nbr.PotentialMasterNbr

addPotential, getCriteria, getCriteria1Body, getCriterion, getIntraPotentials, getRangedPotentials, getRangedPotentials, getRangedPotentials1Body, makePotentialGroup, potentialAddedNotify, removePotential, setBoxForCriteria, setBoxForPotentials, setCriterion, setCriterion1Body

Constructor Detail

PotentialMasterSite

public PotentialMasterSite(Simulation sim,
                           int nCells,
                           Space space)

Invokes superclass constructor, specifying IteratorFactoryCell for generating molecule iterators. Sets default nCells of 10 and position definition to null, so that atom type's definition is used to assign cells.

PotentialMasterSite

protected PotentialMasterSite(Simulation sim,
                              int nCells)

Method Detail

getCellRange

public int getCellRange()

Returns:

Returns the cellRange.

setCellRange

public void setCellRange(int newCellRange)

Parameters:

newCellRange - The cellRange to set.

addRangedPotentialForTypes

protected void addRangedPotentialForTypes(IPotentialAtomic potential,
                                          AtomType[] atomType)

Overrides:

addRangedPotentialForTypes in class PotentialMasterNbr

getBoxCellManager

public BoxCellManager getBoxCellManager(Box box)

Specified by:

getBoxCellManager in class PotentialMasterNbr

calculate

public void calculate(Box box,
                      PotentialCalculation pc,
                      boolean includeLrc)

calculate

public void calculate(Box box,
                      IteratorDirective id,
                      PotentialCalculation pc)

Description copied from class: PotentialMaster

Performs the given PotentialCalculation on the atoms of the given Box. Sets the box for all molecule iterators and potentials, sets target and direction for iterators as specified by given IteratorDirective, and applies doCalculation of given PotentialCalculation with the iterators and potentials.

Overrides:

calculate in class PotentialMaster