transform3d Class Reference

Handle 3D transformations, such as space group definitions. More...

#include <openbabel/math/transform3d.h>

Inheritance diagram for transform3d:

List of all members.

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 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
void	randomRotation (OBRandom &rnd)
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
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 (OBRandom *oeRand=NULL)
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)
Friends
vector3	operator* (const matrix3x3 &, const vector3 &)
matrix3x3	operator* (const matrix3x3 &, const matrix3x3 &)
std::ostream &	operator<< (std::ostream &, const matrix3x3 &)

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Detailed Description

Handle 3D transformations, such as space group definitions.

Since:

version 2.2

See also:

SpaceGroup

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Constructor & Destructor Documentation

transform3d

(

void

)

[inline]

transform3d	(	const matrix3x3 &	m,
		const vector3 &	v
	)		[inline]

transform3d

(

double

s )

[inline]

transform3d	(	vector3	row1,
		vector3	row2,
		vector3	row3,
		vector3	translation
	)		[inline]

Constructs a matrix from row vectors.

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

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Member Function Documentation

vector3 operator*

(

const vector3 &

v )

const

transform3d operator*

(

const transform3d &

t )

const

string DescribeAsString

(

)

const

string DescribeAsValues

(

)

const

void Normalize

(

)

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Friends And Related Function Documentation

vector3 operator*	(	const matrix3x3 &	m,
		const vector3 &	v
	)		[friend, inherited]

Matrix-vector multiplication.

Calculates the product m*v of the matrix m and the column vector represented by v

matrix3x3 operator*	(	const matrix3x3 &	A,
		const matrix3x3 &	B
	)		[friend, inherited]

Matrix-matrix multiplication.

std::ostream& operator<<	(	std::ostream &	co,
		const matrix3x3 &	m
	)		[friend, inherited]

Output a text representation of a matrix.

Print a text representation of the matrix in the standardized form: [ a, b, c ]
[ d, e, f ]
[ g, h, i ]
where the letters represent the appropriate entries in the matrix. Uses the standard output format for the individual entries, separated by ", " for each column, and [ ] indicating each row.

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

• transform3d.h
• transform3d.cpp