etomica.nbr
Class CriterionMolecular

java.lang.Object
  etomica.nbr.CriterionAdapter
      etomica.nbr.CriterionMolecular

All Implemented Interfaces:

NeighborCriterion, Serializable

Direct Known Subclasses:

CriterionMolecularNonAdjacent

public class CriterionMolecular
extends CriterionAdapter

Pair criterion that judges whether two atoms are or are not in the same molecule. Configurable to accept intra- or inter-molecular pairs.

See Also:

Serialized Form

Field Summary

Fields inherited from class etomica.nbr.CriterionAdapter

subCriterion

Constructor Summary

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

Method Summary

boolean	accept(IAtomList pair) Returns false if pair is/isn't in same molecule (depending on setting of intraMolecular); if matches this criterion, return value will be that given by any subCriterion.
boolean	isIntraMolecular() Flag indicating whether to accept intra- (if argument is true) or inter- (if argument is false) molecular pairs.
void	setIntraMolecular(boolean b) Configures to accept intra- (if argument is true) or inter- (if argument is false) molecular pairs.

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

CriterionMolecular

public CriterionMolecular(NeighborCriterion criterion)

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

Method Detail

setIntraMolecular

public void setIntraMolecular(boolean b)

Configures to accept intra- (if argument is true) or inter- (if argument is false) molecular pairs. Default is false.

isIntraMolecular

public boolean isIntraMolecular()

Flag indicating whether to accept intra- (if argument is true) or inter- (if argument is false) molecular pairs.

accept

public boolean accept(IAtomList pair)

Returns false if pair is/isn't in same molecule (depending on setting of intraMolecular); if matches this criterion, return value will be that given by any subCriterion.

Specified by:

accept in interface NeighborCriterion

Specified by:

accept in class CriterionAdapter