Package etomica.config

Class GrainBoundaryConfiguration

java.lang.Object

etomica.config.GrainBoundaryConfiguration

All Implemented Interfaces:

Configuration, java.io.Serializable

public class GrainBoundaryConfiguration
extends java.lang.Object
implements Configuration, java.io.Serializable

See Also:

Serialized Form

Constructor Summary

Constructors

Constructor	Description
GrainBoundaryConfiguration(BravaisLatticeCrystal latticeA, BravaisLatticeCrystal latticeB, Space space)	Construct class that will place atoms on sites of the given lattices, proceeding in the order resulting from iteration through the given index iterator.

Method Summary

Modifier and Type	Method	Description
SpaceLattice	getLatticeAMemento()	Returns a lattice with positions the same as those used in the most recent use of initializeCoordinates.
SpaceLattice	getLatticeBMemento()
ISpecies	getSpeciesAFixed()
ISpecies	getSpeciesAMobile()
ISpecies	getSpeciesBFixed()
ISpecies	getSpeciesBMobile()
void	initializeCoordinates(Box box)	Places the molecules in the given box on the positions of the lattice.
void	setDimensions(int nCellsAx, int nCellsAy, int nCellsAz, int nCellsBx, int nCellsBy, int nCellsBz, double aA, double bA, double cA, double aB, double bB, double cB)
void	setSpeciesA(ISpecies newSpeciesAFixed, ISpecies newSpeciesAMobile)
void	setSpeciesB(ISpecies newSpeciesBFixed, ISpecies newSpeciesBMobile)

Methods inherited from class java.lang.Object

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

Constructor Detail

GrainBoundaryConfiguration

public GrainBoundaryConfiguration(BravaisLatticeCrystal latticeA,
                                  BravaisLatticeCrystal latticeB,
                                  Space space)

Construct class that will place atoms on sites of the given lattices, proceeding in the order resulting from iteration through the given index iterator.

Method Detail

setDimensions

public void setDimensions(int nCellsAx,
                          int nCellsAy,
                          int nCellsAz,
                          int nCellsBx,
                          int nCellsBy,
                          int nCellsBz,
                          double aA,
                          double bA,
                          double cA,
                          double aB,
                          double bB,
                          double cB)

setSpeciesA

public void setSpeciesA(ISpecies newSpeciesAFixed,
                        ISpecies newSpeciesAMobile)

setSpeciesB

public void setSpeciesB(ISpecies newSpeciesBFixed,
                        ISpecies newSpeciesBMobile)

getSpeciesAFixed

public ISpecies getSpeciesAFixed()

getSpeciesBFixed

public ISpecies getSpeciesBFixed()

getSpeciesAMobile

public ISpecies getSpeciesAMobile()

getSpeciesBMobile

public ISpecies getSpeciesBMobile()

initializeCoordinates

public void initializeCoordinates(Box box)

Places the molecules in the given box on the positions of the lattice.

Specified by:

initializeCoordinates in interface Configuration

getLatticeAMemento

public SpaceLattice getLatticeAMemento()

Returns a lattice with positions the same as those used in the most recent use of initializeCoordinates. Includes any scaling or translation applied to fill the space, and thus will not necessarily be the same positions as specified by the lattice given at construction.

getLatticeBMemento

public SpaceLattice getLatticeBMemento()