AvogadroLibs  1.90.0
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Avogadro Namespace Reference

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 >
 

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
}
 

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

typedef double Real

Typedef for a real number.

typedef size_t Index

Typedef for indices and sizes.

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

Typedefs for vector types.

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

Typedefs for vector types.

Enumeration Type Documentation

enum Type

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

Variable Documentation

const unsigned char InvalidElement = 255

Used to represent an invalid atomic number.

const unsigned char CustomElementMin = 128

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

const unsigned char CustomElementMax = 254

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

const unsigned char CustomElementCount
Initial value:
=
const unsigned char CustomElementMin
Definition: avogadrocore.h:72
const unsigned char CustomElementMax
Definition: avogadrocore.h:77

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

const double PI_D = 3.141592653589793238462643

Unit conversion factors.

const float PI_F = static_cast<float>(PI_D)

Unit conversion factors.

const Real PI = static_cast<Real>(PI_D)

Unit conversion factors.

const double DEG_TO_RAD_D = PI_D / 180.0

Unit conversion factors.

const float DEG_TO_RAD_F = static_cast<float>(DEG_TO_RAD_D)

Unit conversion factors.

const Real DEG_TO_RAD = static_cast<Real>(DEG_TO_RAD_D)

Unit conversion factors.

const double RAD_TO_DEG_D = 180.0 / PI_D

Unit conversion factors.

const float RAD_TO_DEG_F = static_cast<float>(RAD_TO_DEG_D)

Unit conversion factors.

const Real RAD_TO_DEG = static_cast<Real>(RAD_TO_DEG_D)

Unit conversion factors.

const double BOHR_TO_ANGSTROM_D = 0.52917721092

Unit conversion factors.

const float BOHR_TO_ANGSTROM_F = static_cast<float>(BOHR_TO_ANGSTROM_D)

Unit conversion factors.

const Real BOHR_TO_ANGSTROM = static_cast<Real>(BOHR_TO_ANGSTROM_D)

Unit conversion factors.

const double ANGSTROM_TO_BOHR_D = 1.0 / BOHR_TO_ANGSTROM_D

Unit conversion factors.

const float ANGSTROM_TO_BOHR_F = static_cast<float>(ANGSTROM_TO_BOHR_D)

Unit conversion factors.

const Real ANGSTROM_TO_BOHR = static_cast<Real>(ANGSTROM_TO_BOHR_D)

Unit conversion factors.