Lattice3D Class Reference

Description

A Bravais lattice, characterized by three basis vectors, and optionally an ISelectionRule.

Inheritance diagram for Lattice3D:

Public Member Functions
	Lattice3D (const Lattice3D &lattice)
	Lattice3D (R3 a, R3 b, R3 c)
	~Lattice3D () override
R3	basisVectorA () const
	Returns basis vector a. More...
R3	basisVectorB () const
	Returns basis vector b. More...
R3	basisVectorC () const
	Returns basis vector c. More...
std::string	className () const final
R3	getMillerDirection (double h, double k, double l) const
	Returns normalized direction corresponding to the given Miller indices. More...
I3	nearestReciprocalLatticeVectorCoordinates (R3 q) const
	Returns the nearest reciprocal lattice point from a given vector. More...
Lattice3D &	operator= (const Lattice3D &)=delete
void	reciprocalLatticeBasis (R3 &ra, R3 &rb, R3 &rc) const
	Returns the reciprocal basis vectors. More...
std::vector< R3 >	reciprocalLatticeVectorsWithinRadius (R3 q, double dq) const
	Returns a list of reciprocal lattice vectors within distance dq of a vector q. More...
Lattice3D	rotated (const RotMatrix &rotMatrix) const
	Creates rotated lattice. More...
void	setSelectionRule (const ISelectionRule &selection_rule)
	Sets a selection rule for the reciprocal vectors. More...
double	unitCellVolume () const
	Returns the volume of the unit cell. More...

Constructor & Destructor Documentation

Lattice3D() [1/2]

Lattice3D::Lattice3D	(	R3	a,
		R3	b,
		R3	c
	)

Lattice3D() [2/2]

Lattice3D::Lattice3D

(

const Lattice3D &

lattice

)

~Lattice3D()

Lattice3D::~Lattice3D ( )

override

Member Function Documentation

basisVectorA()

R3 Lattice3D::basisVectorA

(

)

const

Returns basis vector a.

basisVectorB()

R3 Lattice3D::basisVectorB

(

)

const

Returns basis vector b.

basisVectorC()

R3 Lattice3D::basisVectorC

(

)

const

Returns basis vector c.

className()

std::string Lattice3D::className ( ) const

final

getMillerDirection()

R3 Lattice3D::getMillerDirection	(	double	h,
		double	k,
		double	l
	)		const

Returns normalized direction corresponding to the given Miller indices.

nearestReciprocalLatticeVectorCoordinates()

I3 Lattice3D::nearestReciprocalLatticeVectorCoordinates

(

R3

q

)

const

Returns the nearest reciprocal lattice point from a given vector.

operator=()

Lattice3D& Lattice3D::operator= ( const Lattice3D &  )

delete

reciprocalLatticeBasis()

void Lattice3D::reciprocalLatticeBasis	(	R3 &	ra,
		R3 &	rb,
		R3 &	rc
	)		const

Returns the reciprocal basis vectors.

reciprocalLatticeVectorsWithinRadius()

std::vector<R3> Lattice3D::reciprocalLatticeVectorsWithinRadius	(	R3	q,
		double	dq
	)		const

Returns a list of reciprocal lattice vectors within distance dq of a vector q.

rotated()

Lattice3D Lattice3D::rotated

(

const RotMatrix &

rotMatrix

)

const

Creates rotated lattice.

setSelectionRule()

void Lattice3D::setSelectionRule

(

const ISelectionRule &

selection_rule

)

Sets a selection rule for the reciprocal vectors.

unitCellVolume()

double Lattice3D::unitCellVolume

(

)

const

Returns the volume of the unit cell.