AvogadroLibs  1.93.0
Namespaces | Classes | Typedefs | Enumerations | Functions | Variables
Avogadro Namespace Reference

The PQRRequest class sends and receives network requests to PQR and updates ui elements from the widget. More...

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
valuesThe array from which to compute the histogram.
numTuplesNumber of tuples in the array.
numComponentsNumber of components in each tuple.
minMinimum value in range
maxMaximum value in range
invInverse 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:
=
const unsigned char CustomElementMin
Definition: avogadrocore.h:58
const unsigned char CustomElementMax
Definition: avogadrocore.h:63

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.