AvogadroLibs 1.97.0
Namespaces | Classes | Typedefs | Enumerations | Functions | Variables
Avogadro Namespace Reference

Namespaces

namespace  Core
 

Classes

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

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

Real bondAngle (const Vector3 &b0, const Vector3 &b1)
 
Real dihedralAngle (const Vector3 &b0, const Vector3 &b1, const Vector3 &b2)
 
Real calcAngle (const Vector3 &v1, const Vector3 &v2, const Vector3 &v3)
 
Real calcDihedral (const Vector3 &v1, const Vector3 &v2, const Vector3 &v3, const Vector3 &v4)
 

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.

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:47
const unsigned char CustomElementMax
Definition: avogadrocore.h:52

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.