Package etomica.nbr

Interface NeighborCriterion

All Known Implementing Classes:

ColloidSim.CriterionNone, CriterionAdapter, CriterionAll, CriterionBondedSimple, CriterionInterMolecular, CriterionNone, CriterionPositionWall, CriterionSimple, CriterionTether3

public interface NeighborCriterion

Atom filter used to specify whether two atoms are considered neighbors, for the purpose of tabulating neighbor lists. Neighbors are indicated if the AtomsetFilter.accept() method returns true. Adds neighbor management methods to set the box where the criterion is being applied, and to indicate if neighbor list for atom needs updating.

Method Summary

Modifier and Type	Method	Description
boolean	accept(IAtom atom1, IAtom atom2)
boolean	needUpdate(IAtom atom)	Indicates whether the neighbor list for the given atom should be updated, according to this criterion.
void	reset(IAtom atom)	Indicates to 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 the box where the criterion is being applied.
boolean	unsafe()	Indicates whether the atom has changed (e.g.

Method Detail

accept

boolean accept(IAtom atom1,
               IAtom atom2)

needUpdate

boolean needUpdate(IAtom atom)

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

Returns:

true if the atom's list should be updated.

setBox

void setBox(Box box)

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

unsafe

boolean unsafe()

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

reset

void reset(IAtom atom)

Indicates to 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.