#include <openbabel/math/transform3d.h>

Inheritance diagram for transform3d:

Public Member Functions
	transform3d (void)

	transform3d (const matrix3x3 &m, const vector3 &v)

	transform3d (double s)

	transform3d (vector3 row1, vector3 row2, vector3 row3, vector3 translation)

	transform3d (double d[3][3], double t[3])

vector3	operator* (const vector3 &) const

transform3d	operator* (const transform3d &) const

std::string	DescribeAsString () const

std::string	DescribeAsValues () const

void	Normalize ()

Private Types
typedef double *	iterator

typedef const double *	const_iterator

typedef std::ptrdiff_t	difference_type

Private Member Functions
void	GetArray (double *m)

const double &	operator() (int row, int column) const

double &	operator() (int row, int column)

matrix3x3	inverse (void) const

matrix3x3	transpose (void) const

double	determinant () const

bool	isSymmetric (void) const

bool	isOrthogonal (void) const

bool	isDiagonal (void) const

bool	isUnitMatrix (void) const

double	Get (int row, int column) const

void	Set (int row, int column, double v)

void	SetColumn (int column, const vector3 &v)

void	SetRow (int row, const vector3 &v)

vector3	GetColumn (unsigned int col) const

vector3	GetRow (unsigned int row) const

matrix3x3 &	operator*= (const double &c)

matrix3x3 &	operator/= (const double &c)

void	SetupRotMat (double x, double y, double z)

void	PlaneReflection (const vector3 &norm)

void	RotAboutAxisByAngle (const vector3 &axis, const double angle)

void	FillOrth (double alpha, double beta, double gamma, double a, double b, double c)

matrix3x3	findEigenvectorsIfSymmetric (vector3 &eigenvals) const

iterator	begin ()

const_iterator	begin () const

iterator	end ()

const_iterator	end () const

void	Set (const double inX, const double inY, const double inZ)

void	Set (const double *c)

void	SetX (const double inX)

void	SetY (const double inY)

void	SetZ (const double inZ)

double	GetX () const

double	GetY () const

double	GetZ () const

void	Get (double *c)

double	operator[] (unsigned int i) const

const double *	AsArray () const

vector3 &	operator+= (const vector3 &v)

vector3 &	operator+= (const double *f)

vector3 &	operator-= (const vector3 &v)

vector3 &	operator-= (const double *f)

vector3 &	operator*= (const double &c)

vector3 &	operator*= (const matrix3x3 &)

vector3 &	operator/= (const double &c)

void	randomUnitVector ()

vector3 &	normalize ()

bool	CanBeNormalized () const

double	length_2 () const

double	length () const

const double &	x () const

double &	x ()

const double &	y () const

double &	y ()

const double &	z () const

double &	z ()


int	operator== (const vector3 &) const

int	operator!= (const vector3 &other) const

bool	IsApprox (const vector3 &other, const double &precision) const

double	distSq (const vector3 &vv) const

bool	createOrthoVector (vector3 &v) const

Static Private Member Functions
static void	jacobi (unsigned int n, double a, double d, double *v)

Detailed Description

Handle 3D transformations, such as space group definitions.

Since: version 2.2

See also: SpaceGroup

Constructor & Destructor Documentation

◆ transform3d() [1/5]

transform3d ( void )

inline

◆ transform3d() [2/5]

transform3d	(	const matrix3x3 &	m,
		const vector3 &	v
	)

inline

◆ transform3d() [3/5]

transform3d ( double s )

inline

◆ transform3d() [4/5]

transform3d	(	vector3	row1,
		vector3	row2,
		vector3	row3,
		vector3	translation
	)

inline

Constructs a matrix from row vectors.

◆ transform3d() [5/5]

transform3d	(	double	d[3][3],
		double	t[3]
	)

inline

Constructs a matrix from a 3x3-array of doubles.

The first index represents the row, the second index the column

Member Function Documentation

◆ operator*() [1/2]

vector3 operator* ( const vector3 & v ) const

◆ operator*() [2/2]

transform3d operator* ( const transform3d & t ) const

◆ DescribeAsString()

string DescribeAsString ( ) const

Referenced by SpaceGroup::AddTransform().

◆ DescribeAsValues()

string DescribeAsValues ( ) const

◆ Normalize()

void Normalize ( )

The documentation for this class was generated from the following files:

Public Member Functions

Private Types

Private Member Functions

Static Private Member Functions

Detailed Description

Constructor & Destructor Documentation

◆ transform3d() [1/5]

◆ transform3d() [2/5]

◆ transform3d() [3/5]

◆ transform3d() [4/5]

◆ transform3d() [5/5]

Member Function Documentation

◆ operator*() [1/2]

◆ operator*() [2/2]

◆ DescribeAsString()

◆ DescribeAsValues()

◆ Normalize()