Package etomica.nbr.cell

Class PotentialMasterCell

java.lang.Object

etomica.potential.PotentialMaster

etomica.nbr.PotentialMasterNbr

etomica.nbr.cell.PotentialMasterCell

Direct Known Subclasses:

PotentialMasterCellMixed

public class PotentialMasterCell
extends PotentialMasterNbr

A PotentialMaster for use with a Simulation where cell-listing of atoms and their neighbors is appropriate.

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

Constructor	Description
PotentialMasterCell(Simulation sim, double range, BoxAgentSourceCellManager boxAgentSource)
PotentialMasterCell(Simulation sim, double range, Space _space)	Constructs with null AtomPositionDefinition, which indicates the position definition given with each atom's AtomType should be used.
PotentialMasterCell(Simulation sim, Space _space)	Creates PotentialMasterCell with default (1.0) range.

Method Summary

Modifier and Type	Method	Description
protected void	addRangedPotentialForTypes(IPotentialAtomic potential, AtomType[] atomType)
protected void	calculate(IAtom atom, NeighborIterator neighborIterator, PotentialCalculation pc, IteratorDirective.Direction direction)
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)
NeighborCellManager	getNbrCellManager(Box box)
double	getRange()
void	reset()	Reassign atoms to cell lists for all boxes.
void	setCellRange(int d)
void	setRange(double d)

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

PotentialMasterCell

public PotentialMasterCell(Simulation sim,
                           Space _space)

Creates PotentialMasterCell with default (1.0) range. Range should be set manually via setRange method.

PotentialMasterCell

public PotentialMasterCell(Simulation sim,
                           double range,
                           Space _space)

Constructs with null AtomPositionDefinition, which indicates the position definition given with each atom's AtomType should be used.

Parameters:

_space - the governing Space

range - the neighbor distance. May be changed after construction.

PotentialMasterCell

public PotentialMasterCell(Simulation sim,
                           double range,
                           BoxAgentSourceCellManager boxAgentSource)

Method Detail

getRange

public double getRange()

setRange

public void setRange(double d)

setCellRange

public void setCellRange(int d)

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

getNbrCellManager

public NeighborCellManager getNbrCellManager(Box box)

reset

public void reset()

Reassign atoms to cell lists for all boxes.

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

calculate

protected void calculate(IAtom atom,
                         NeighborIterator neighborIterator,
                         PotentialCalculation pc,
                         IteratorDirective.Direction direction)