Package etomica.lattice.crystal

Class PrimitiveOrthorhombic

java.lang.Object

etomica.lattice.crystal.Primitive

etomica.lattice.crystal.PrimitiveOrthorhombic

Direct Known Subclasses:

PrimitiveHCP4

public class PrimitiveOrthorhombic
extends Primitive

Primitive group for an orthorhombic system. All primitive vectors orthogonal but not necessarily of equal length. a != b != c; alpha = beta = gamma = 90deg.

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
PrimitiveOrthorhombic(Space space)
PrimitiveOrthorhombic(Space space, double a, double b, double c)

Method Summary

Modifier and Type	Method	Description
Primitive	copy()	Returns a new, identical instance of this primitive.
double	getAngleAlpha()
double	getAngleBeta()
double	getAngleGamma()
double	getSizeA()
double	getSizeB()
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.
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	setSizeA(double newA)
void	setSizeB(double newB)
void	setSizeC(double newC)
java.lang.String	toString()
Polytope	unitCell()	Returns a new Cuboid with edges of length given by the current values of the primitive vectors.
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, vectors

Constructor Detail

PrimitiveOrthorhombic

public PrimitiveOrthorhombic(Space space)

PrimitiveOrthorhombic

public PrimitiveOrthorhombic(Space space,
                             double a,
                             double b,
                             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

setSizeA

public void setSizeA(double newA)

getSizeA

public double getSizeA()

setSizeB

public void setSizeB(double newB)

getSizeB

public double getSizeB()

setSizeC

public void setSizeC(double newC)

getSizeC

public double getSizeC()

getAngleAlpha

public double getAngleAlpha()

getAngleBeta

public double getAngleBeta()

getAngleGamma

public double getAngleGamma()

copy

public Primitive copy()

Returns a new, identical instance of this primitive.

Specified by:

copy in class Primitive

update

protected void update()

Specified by:

update 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

unitCell

public Polytope unitCell()

Returns a new Cuboid with edges of length given by the current values of the primitive vectors.

Overrides:

unitCell in class Primitive

toString

public java.lang.String toString()

Overrides:

toString in class java.lang.Object