Package etomica.nbr.molecule

Class CriterionAdapterMolecular

java.lang.Object

etomica.nbr.molecule.CriterionAdapterMolecular

All Implemented Interfaces:

NeighborCriterionMolecular, java.io.Serializable

Direct Known Subclasses:

CriterionSpecies, CriterionSpeciesPair

public abstract class CriterionAdapterMolecular
extends java.lang.Object
implements NeighborCriterionMolecular, java.io.Serializable

Wraps another criterion while adding additional criteria to the acceptance decision. Used to introduce criteria related to the species, molecule, and other identifiers of the pair. Does not normally consider atom positions, but defers this to the wrapped iterator. Consequently the methods needUpdate, unsafe, and others that related to the atom configurations are simply passed on to the wrapped criterion.

See Also:

Serialized Form

Field Summary

Fields

Modifier and Type	Field	Description
protected NeighborCriterionMolecular	subCriterion

Constructor Summary

Constructors

Constructor	Description
CriterionAdapterMolecular(NeighborCriterionMolecular criterion)	Constructs criterion that wraps the given criterion.

Method Summary

Modifier and Type	Method	Description
abstract boolean	accept(IMoleculeList pair)	Implementation of this method should introduce new criterion and return true if pair meets this criterion and that of the wrapped NeighborCriterion.
NeighborCriterionMolecular	getWrappedCriterion()	Returns the criterion wrapped by this adapter
boolean	needUpdate(IMolecule molecule)	Indicates whether the neighbor list for the given atom should be updated, according to the wrapped criterion.
void	reset(IMolecule molecule)	Indicates to wrapped criterion that given atom's neighbor list has just been updated, and that properties (e.g., record of atom's position) used by needUpdate and unsafe() methods should be reset.
void	setBox(Box box)	Specifies to the wrapped criterion the box where the criterion is being applied.
boolean	unsafe()	Indicates whether the atom has changed (e.g.

Methods inherited from class java.lang.Object

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

Field Detail

subCriterion

protected final NeighborCriterionMolecular subCriterion

Constructor Detail

CriterionAdapterMolecular

public CriterionAdapterMolecular(NeighborCriterionMolecular criterion)

Constructs criterion that wraps the given criterion.

Parameters:

criterion -

Method Detail

getWrappedCriterion

public final NeighborCriterionMolecular getWrappedCriterion()

Returns the criterion wrapped by this adapter

accept

public abstract boolean accept(IMoleculeList pair)

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 NeighborCriterionMolecular

needUpdate

public boolean needUpdate(IMolecule molecule)

Indicates whether the neighbor list for the given atom should be updated, according to the wrapped criterion.

Specified by:

needUpdate in interface NeighborCriterionMolecular

Returns:

true if the atom's list should be updated.

setBox

public void setBox(Box box)

Specifies to the wrapped criterion the box where the criterion is being applied. Sometimes needed if the criterion depends on features of the box, such as the volume.

Specified by:

setBox in interface NeighborCriterionMolecular

unsafe

public boolean unsafe()

Indicates whether the atom has changed (e.g. moved) by an amount that might have caused its wrapped-criterion neighbor list to be invalid. If this method returns true, a neighbor list failure may have introduced errors in the calculation.

Specified by:

unsafe in interface NeighborCriterionMolecular

reset

public void reset(IMolecule molecule)

Indicates to wrapped criterion that given atom's neighbor list has just been updated, and that properties (e.g., record of atom's position) used by needUpdate and unsafe() methods should be reset.

Specified by:

reset in interface NeighborCriterionMolecular