Avogadro Namespace Reference

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Namespaces
	Core

Classes
class	TypeTraits
class	TypeTraits< char >
class	TypeTraits< unsigned char >
class	TypeTraits< short >
class	TypeTraits< unsigned short >
class	TypeTraits< int >
class	TypeTraits< unsigned int >
class	TypeTraits< float >
class	TypeTraits< double >
struct	Frustrum
class	HistogramWidget
class	QVTKGLWidget

Typedefs
typedef double	Real
typedef size_t	Index
typedef Eigen::Matrix< Real, 2, 2 >	Matrix2
typedef Eigen::Matrix< Real, 3, 3 >	Matrix3
typedef Eigen::Matrix< Real, 4, 4 >	Matrix4
typedef Eigen::Matrix< Real, Eigen::Dynamic, Eigen::Dynamic >	MatrixX
typedef Eigen::Matrix< float, 2, 2 >	Matrix2f
typedef Eigen::Matrix< float, 3, 3 >	Matrix3f
typedef Eigen::Matrix< float, 4, 4 >	Matrix4f
typedef Eigen::Matrix< float, Eigen::Dynamic, Eigen::Dynamic >	MatrixXf
typedef Eigen::Matrix< Real, 2, 1 >	Vector2
typedef Eigen::Matrix< Real, 3, 1 >	Vector3
typedef Eigen::Matrix< Real, 4, 1 >	Vector4
typedef Eigen::Matrix< float, 2, 1 >	Vector2f
typedef Eigen::Matrix< float, 3, 1 >	Vector3f
typedef Eigen::Matrix< float, 4, 1 >	Vector4f
typedef Eigen::Matrix< int, 2, 1 >	Vector2i
typedef Eigen::Matrix< int, 3, 1 >	Vector3i
typedef Eigen::Matrix< int, 4, 1 >	Vector4i
typedef Eigen::Matrix< unsigned char, 2, 1 >	Vector2ub
typedef Eigen::Matrix< unsigned char, 3, 1 >	Vector3ub
typedef Eigen::Matrix< unsigned char, 4, 1 >	Vector4ub

Enumerations
enum	Type {   UnknownType = -1 ,   CharType ,   UCharType ,   ShortType ,   UShortType ,   IntType ,   UIntType ,   FloatType ,   DoubleType }

Functions
template<typename T , typename std::enable_if< std::is_integral< T >::value >::type * = nullptr>
void	calcHistogram (T *values, const vtkIdType numTuples, const float min, const float inv, int *pops, int &)
template<typename T >
void	calcHistogram (T *, const vtkIdType, int *)
void	calcHistogram (unsigned char *values, const vtkIdType numTuples, int *pops)
template<typename T >
void	CalculateHistogram (T *values, const vtkIdType numTuples, const vtkIdType numComponents, const float min, const float max, int *pops, const float inv, int &invalid)
void	PopulateHistogram (vtkImageData *input, vtkTable *output)

Variables
const Index	MaxIndex = std::numeric_limits<Index>::max()
const unsigned char	InvalidElement = 255
const unsigned char	CustomElementMin = 128
const unsigned char	CustomElementMax = 254
const unsigned char	CustomElementCount
const double	PI_D = 3.141592653589793238462643
const float	PI_F = static_cast<float>(PI_D)
const Real	PI = static_cast<Real>(PI_D)
const double	DEG_TO_RAD_D = PI_D / 180.0
const float	DEG_TO_RAD_F = static_cast<float>(DEG_TO_RAD_D)
const Real	DEG_TO_RAD = static_cast<Real>(DEG_TO_RAD_D)
const double	RAD_TO_DEG_D = 180.0 / PI_D
const float	RAD_TO_DEG_F = static_cast<float>(RAD_TO_DEG_D)
const Real	RAD_TO_DEG = static_cast<Real>(RAD_TO_DEG_D)
const double	BOHR_TO_ANGSTROM_D = 0.52917721092
const float	BOHR_TO_ANGSTROM_F = static_cast<float>(BOHR_TO_ANGSTROM_D)
const Real	BOHR_TO_ANGSTROM = static_cast<Real>(BOHR_TO_ANGSTROM_D)
const double	ANGSTROM_TO_BOHR_D = 1.0 / BOHR_TO_ANGSTROM_D
const float	ANGSTROM_TO_BOHR_F = static_cast<float>(ANGSTROM_TO_BOHR_D)
const Real	ANGSTROM_TO_BOHR = static_cast<Real>(ANGSTROM_TO_BOHR_D)

Detailed Description

Namespace contain utility methods to serialize and deserialize vectors and matrixes

namespace containing utility functions for encoding and decoding floats and doubles.

Typedef Documentation

Real

typedef double Real

Typedef for a real number.

Index

typedef size_t Index

Typedef for indices and sizes.

Matrix2

typedef Eigen::Matrix<Real, 2, 2> Matrix2

Typedefs for vector types.

Vector2

typedef Eigen::Matrix<Real, 2, 1> Vector2

Typedefs for vector types.

Enumeration Type Documentation

Type

enum Type

Symbolic constants representing various built-in C++ types.

Function Documentation

calcHistogram() [1/3]

void calcHistogram	(	T *	values,
		const vtkIdType	numTuples,
		const float	min,
		const float	inv,
		int *	pops,
		int &	invalid
	)

Single component integral type specialization.

Single component floating point type specialization.

calcHistogram() [2/3]

void Avogadro::calcHistogram	(	T *	,
		const	vtkIdType,
		int *
	)

Needs to be present, should never be compiled.

calcHistogram() [3/3]

void Avogadro::calcHistogram	(	unsigned char *	values,
		const vtkIdType	numTuples,
		int *	pops
	)

Single component unsigned char covering 0 -> 255 range.

CalculateHistogram()

void Avogadro::CalculateHistogram	(	T *	values,
		const vtkIdType	numTuples,
		const vtkIdType	numComponents,
		const float	min,
		const float	max,
		int *	pops,
		const float	inv,
		int &	invalid
	)

Computes a histogram from an array of values.

Parameters

values	The array from which to compute the histogram.
numTuples	Number of tuples in the array.
numComponents	Number of components in each tuple.
min	Minimum value in range
max	Maximum value in range
inv	Inverse of bin size, numBins is the number of bins in the histogram (or length of the pops array), and invalid is a return parameter indicating how many values in the array had a non-finite value.

Variable Documentation

InvalidElement

const unsigned char InvalidElement = 255

Used to represent an invalid atomic number.

CustomElementMin

const unsigned char CustomElementMin = 128

Minimum value for atomic numbers that represent custom, non-elemental particles.

CustomElementMax

const unsigned char CustomElementMax = 254

Maximum value for atomic numbers that represent custom, non-elemental particles.

CustomElementCount

const unsigned char CustomElementCount

Initial value:

=
  CustomElementMax - CustomElementMin + 1

Count of atomic number values that are used to represent custom, non-elemental particles.

PI_D

const double PI_D = 3.141592653589793238462643

Unit conversion factors.

PI_F

const float PI_F = static_cast<float>(PI_D)

Unit conversion factors.

PI

const Real PI = static_cast<Real>(PI_D)

Unit conversion factors.

DEG_TO_RAD_D

const double DEG_TO_RAD_D = PI_D / 180.0

Unit conversion factors.

DEG_TO_RAD_F

const float DEG_TO_RAD_F = static_cast<float>(DEG_TO_RAD_D)

Unit conversion factors.

DEG_TO_RAD

const Real DEG_TO_RAD = static_cast<Real>(DEG_TO_RAD_D)

Unit conversion factors.

RAD_TO_DEG_D

const double RAD_TO_DEG_D = 180.0 / PI_D

Unit conversion factors.

RAD_TO_DEG_F

const float RAD_TO_DEG_F = static_cast<float>(RAD_TO_DEG_D)

Unit conversion factors.

RAD_TO_DEG

const Real RAD_TO_DEG = static_cast<Real>(RAD_TO_DEG_D)

Unit conversion factors.

BOHR_TO_ANGSTROM_D

const double BOHR_TO_ANGSTROM_D = 0.52917721092

Unit conversion factors.

BOHR_TO_ANGSTROM_F

const float BOHR_TO_ANGSTROM_F = static_cast<float>(BOHR_TO_ANGSTROM_D)

Unit conversion factors.

BOHR_TO_ANGSTROM

const Real BOHR_TO_ANGSTROM = static_cast<Real>(BOHR_TO_ANGSTROM_D)

Unit conversion factors.

ANGSTROM_TO_BOHR_D

const double ANGSTROM_TO_BOHR_D = 1.0 / BOHR_TO_ANGSTROM_D

Unit conversion factors.

ANGSTROM_TO_BOHR_F

const float ANGSTROM_TO_BOHR_F = static_cast<float>(ANGSTROM_TO_BOHR_D)

Unit conversion factors.

ANGSTROM_TO_BOHR

const Real ANGSTROM_TO_BOHR = static_cast<Real>(ANGSTROM_TO_BOHR_D)

Unit conversion factors.