Package etomica.lattice.crystal

Class PrimitiveTrigonal

java.lang.Object

etomica.lattice.crystal.Primitive

etomica.lattice.crystal.PrimitiveTrigonal

public class PrimitiveTrigonal
extends Primitive

Primitive group for a trigonal system. All primitive vectors have the same length, but there are no restrictions on primitive-vector angles. a = b = c; alpha != gamma != beta

See Also:

Serialized Form

Field Summary

Fields inherited from class etomica.lattice.crystal.Primitive

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

Constructor Summary

Constructors

Constructor	Description
PrimitiveTrigonal(Space space)
PrimitiveTrigonal(Space space, double cubicSize, double alpha, double beta, double gamma)

Method Summary

Modifier and Type	Method	Description
Primitive	copy()	Returns a new, identical instance of this primitive.
double	getAlpha()
double	getBeta()
double	getGamma()
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.
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	setAlpha(double t)
void	setBeta(double t)
void	setCubicSize(double newCubicSize)	Sets the length of all primitive vectors to the given value.
void	setGamma(double t)
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

Constructor Detail

PrimitiveTrigonal

public PrimitiveTrigonal(Space space)

PrimitiveTrigonal

public PrimitiveTrigonal(Space space,
                         double cubicSize,
                         double alpha,
                         double beta,
                         double gamma)

Method Detail

makeReciprocal

public Primitive makeReciprocal()

Description copied from class: Primitive

Method defining and constructing reciprocal primitive;

Specified by:

makeReciprocal in class Primitive

setCubicSize

public void setCubicSize(double newCubicSize)

Sets the length of all primitive vectors to the given value.

update

protected void update()

Specified by:

update in class Primitive

setAlpha

public void setAlpha(double t)

getAlpha

public double getAlpha()

setBeta

public void setBeta(double t)

getBeta

public double getBeta()

setGamma

public void setGamma(double t)

getGamma

public double getGamma()

copy

public Primitive copy()

Returns a new, identical instance of this primitive.

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