Package etomica.lattice.crystal

Class PrimitiveHexagonal

java.lang.Object

etomica.lattice.crystal.Primitive

etomica.lattice.crystal.PrimitiveHexagonal

Direct Known Subclasses:

PrimitiveHexagonal.PrimitiveHexagonalReciprocal

public class PrimitiveHexagonal
extends Primitive

Primitive group for a hexagonal system. Primitive-vector angles are (90,90,120) degrees and two vectors are of equal length.

See Also:

Serialized Form

Nested Class Summary

Nested Classes

Modifier and Type	Class	Description
protected static class	PrimitiveHexagonal.PrimitiveHexagonalReciprocal

Field Summary

Fields

Modifier and Type	Field	Description
protected double	ab
protected static double	cosGamma
protected static double	gamma
protected static double	sinGamma

Fields inherited from class etomica.lattice.crystal.Primitive

angle, D, idx, latticeVectors, rightAngle, size, space

Constructor Summary

Constructors

Constructor	Description
PrimitiveHexagonal(Space space)
PrimitiveHexagonal(Space space, double ab, double c)

Method Summary

Modifier and Type	Method	Description
Primitive	copy()	Returns a new PrimitiveHexagonal with the same size as this one.
double	getAngleAlpha()
double	getAngleBeta()
double	getAngleGamma()
double	getSizeAB()
double	getSizeC()
int[]	latticeIndex(Vector q)	Returns the index which would give the unit cell containing the given point if the index were passed to a the site method of a sufficiently large lattice that uses this primitive.
int[]	latticeIndex(Vector q, int[] dimensions)	Same as latticeIndex(Space.Vector), but gives index for periodic system with number of unit cells in each direction as given by the dimensions array.
static void	main(java.lang.String[] args)
Primitive	makeReciprocal()	Method defining and constructing reciprocal primitive;
void	scaleSize(double scale)	Scales (multiplies) the size of each primitive vector by the given value.
void	setSizeAB(double newAB)
void	setSizeC(double newC)
java.lang.String	toString()
protected void	update()
Polytope	wignerSeitzCell()	Returns the Wigner-Seitz cell specified by this primitive.

Methods inherited from class java.lang.Object

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

Methods inherited from class etomica.lattice.crystal.Primitive

getSize, getSpace, setAngles, setSize, unitCell, vectors

Field Detail

ab

protected double ab

gamma

protected static final double gamma

cosGamma

protected static final double cosGamma

sinGamma

protected static final double sinGamma

Constructor Detail

PrimitiveHexagonal

public PrimitiveHexagonal(Space space)

PrimitiveHexagonal

public PrimitiveHexagonal(Space space,
                          double ab,
                          double c)

Method Detail

makeReciprocal

public Primitive makeReciprocal()

Description copied from class: Primitive

Method defining and constructing reciprocal primitive;

Specified by:

makeReciprocal in class Primitive

setSizeAB

public void setSizeAB(double newAB)

getSizeAB

public double getSizeAB()

setSizeC

public void setSizeC(double newC)

getSizeC

public double getSizeC()

getAngleAlpha

public double getAngleAlpha()

getAngleBeta

public double getAngleBeta()

getAngleGamma

public double getAngleGamma()

update

protected void update()

Specified by:

update in class Primitive

copy

public Primitive copy()

Returns a new PrimitiveHexagonal with the same size as this one.

Specified by:

copy in class Primitive

scaleSize

public void scaleSize(double scale)

Description copied from class: Primitive

Scales (multiplies) the size of each primitive vector by the given value.

Specified by:

scaleSize in class Primitive

latticeIndex

public int[] latticeIndex(Vector q)

Description copied from class: Primitive

Returns the index which would give the unit cell containing the given point if the index were passed to a the site method of a sufficiently large lattice that uses this primitive.

Specified by:

latticeIndex in class Primitive

latticeIndex

public int[] latticeIndex(Vector q,
                          int[] dimensions)

Description copied from class: Primitive

Same as latticeIndex(Space.Vector), but gives index for periodic system with number of unit cells in each direction as given by the dimensions array. If lattice index corresponds to a cell outside the range of dimensions, index of image in central cells is returned.

Specified by:

latticeIndex in class Primitive

wignerSeitzCell

public Polytope wignerSeitzCell()

Description copied from class: Primitive

Returns the Wigner-Seitz cell specified by this primitive. The returned cell does not remain tied to the primitive, and will not be updated with changes to the primitive.

Specified by:

wignerSeitzCell in class Primitive

toString

public java.lang.String toString()

Overrides:

toString in class java.lang.Object

main

public static void main(java.lang.String[] args)