Package etomica.nbr

Class CriterionInterMolecular

java.lang.Object

etomica.nbr.CriterionAdapter

etomica.nbr.CriterionInterMolecular

All Implemented Interfaces:

NeighborCriterion

public class CriterionInterMolecular
extends CriterionAdapter

Pair criterion that judges whether two atoms are or are not in the same molecule. Intermolecular pairs are always accepted. An optional intramolecular may be used to filter out intramolecular pairs.

See Also:

Serialized Form

Field Summary

Fields inherited from class etomica.nbr.CriterionAdapter

subCriterion

Constructor Summary

Constructors

Constructor	Description
CriterionInterMolecular(NeighborCriterion criterion)	Constructs criterion in default state such that intramolecular pairs are rejected, and intermolecular pairs are accepted.

Method Summary

Modifier and Type	Method	Description
boolean	accept(IAtom atom1, IAtom atom2)	Implementation of this method should introduce new criterion and return true if pair meets this criterion and that of the wrapped NeighborCriterion.
NeighborCriterion	getIntraMolecularCriterion()	Returns the intramolecular criterion, or null if none is in use.
void	setIntraMolecularCriterion(NeighborCriterion criterion)	Configures to use the given criterion for intramolecular pairs.
void	setIntraMolecularOnly(boolean intraMolecularOnly)

Methods inherited from class etomica.nbr.CriterionAdapter

getWrappedCriterion, needUpdate, reset, setBox, unsafe

Methods inherited from class java.lang.Object

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

Constructor Detail

CriterionInterMolecular

public CriterionInterMolecular(NeighborCriterion criterion)

Constructs criterion in default state such that intramolecular pairs are rejected, and intermolecular pairs are accepted.

Method Detail

setIntraMolecularCriterion

public void setIntraMolecularCriterion(NeighborCriterion criterion)

Configures to use the given criterion for intramolecular pairs.

setIntraMolecularOnly

public void setIntraMolecularOnly(boolean intraMolecularOnly)

getIntraMolecularCriterion

public NeighborCriterion getIntraMolecularCriterion()

Returns the intramolecular criterion, or null if none is in use.

accept

public boolean accept(IAtom atom1,
                      IAtom atom2)

Description copied from class: CriterionAdapter

Implementation of this method should introduce new criterion and return true if pair meets this criterion and that of the wrapped NeighborCriterion.

Specified by:

accept in interface NeighborCriterion

Specified by:

accept in class CriterionAdapter