Package etomica.lattice.crystal

Class PrimitiveCubic

java.lang.Object

etomica.lattice.crystal.Primitive

etomica.lattice.crystal.PrimitiveCubic

public class PrimitiveCubic
extends Primitive

Primitive group for a cubic system. All primitive vectors orthogonal and of equal length.

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
PrimitiveCubic(Space space)
PrimitiveCubic(Space space, double latticeConstant)

Method Summary

Modifier and Type	Method	Description
Primitive	copy()	Returns a new PrimitiveCubic with the same size as this one.
double	getAngleAlpha()
double	getAngleBeta()
double	getAngleGamma()
double	getSizeABC()	Returns the common length of all primitive vectors.
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	setSizeABC(double newCubicSize)	Sets the length of all primitive vectors to the given value.
java.lang.String	toString()
Polytope	unitCell()	Returns a new Square (if primitive is 2D) or Cube (if 3D) with edges given by the size of the primitive vectors.
protected void	update()
Polytope	wignerSeitzCell()	Returns a new Square (if primitive is 2D) or Cube (if 3D) with edges given by the size of the primitive vectors.

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, vectors

Constructor Detail

PrimitiveCubic

public PrimitiveCubic(Space space)

PrimitiveCubic

public PrimitiveCubic(Space space,
                      double latticeConstant)

Method Detail

makeReciprocal

public Primitive makeReciprocal()

Description copied from class: Primitive

Method defining and constructing reciprocal primitive;

Specified by:

makeReciprocal in class Primitive

copy

public Primitive copy()

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

Specified by:

copy in class Primitive

setSizeABC

public void setSizeABC(double newCubicSize)

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

update

protected void update()

Specified by:

update in class Primitive

getSizeABC

public double getSizeABC()

Returns the common length of all primitive vectors.

getAngleAlpha

public double getAngleAlpha()

getAngleBeta

public double getAngleBeta()

getAngleGamma

public double getAngleGamma()

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()

Returns a new Square (if primitive is 2D) or Cube (if 3D) with edges given by the size of the primitive vectors.

Specified by:

wignerSeitzCell in class Primitive

unitCell

public Polytope unitCell()

Returns a new Square (if primitive is 2D) or Cube (if 3D) with edges given by the size of the primitive vectors.

Overrides:

unitCell in class Primitive

toString

public java.lang.String toString()

Overrides:

toString in class java.lang.Object