BALL::Constants

BALL::Constants Namespace Reference
[Common Definitions]


Variables

Mathematical constants.
BALL_EXTERN_VARIABLE const double PI
 

PI.


BALL_EXTERN_VARIABLE const double E
 

Euler's number - base of the natural logarithm.


BALL_EXTERN_VARIABLE double EPSILON
Chemical/physical constants.
BALL_EXTERN_VARIABLE const double ELEMENTARY_CHARGE
BALL_EXTERN_VARIABLE const double e0
 

Elementary charge (alias).


BALL_EXTERN_VARIABLE const double ELECTRON_MASS
BALL_EXTERN_VARIABLE const double PROTON_MASS
BALL_EXTERN_VARIABLE const double NEUTRON_MASS
BALL_EXTERN_VARIABLE const double AVOGADRO
BALL_EXTERN_VARIABLE const double NA
BALL_EXTERN_VARIABLE const double MOL
BALL_EXTERN_VARIABLE const double BOLTZMANN
BALL_EXTERN_VARIABLE const double k
BALL_EXTERN_VARIABLE const double PLANCK
BALL_EXTERN_VARIABLE const double h
BALL_EXTERN_VARIABLE const double GAS_CONSTANT
BALL_EXTERN_VARIABLE const double R
BALL_EXTERN_VARIABLE const double FARADAY
BALL_EXTERN_VARIABLE const double F
BALL_EXTERN_VARIABLE const double BOHR_RADIUS
BALL_EXTERN_VARIABLE const double a0
BALL_EXTERN_VARIABLE const double VACUUM_PERMITTIVITY
BALL_EXTERN_VARIABLE const double VACUUM_PERMEABILITY
BALL_EXTERN_VARIABLE const double SPEED_OF_LIGHT
BALL_EXTERN_VARIABLE const double c
BALL_EXTERN_VARIABLE const double GRAVITATIONAL_CONSTANT
BALL_EXTERN_VARIABLE const double FINE_STRUCTURE_CONSTANT
Conversion factors
BALL_EXTERN_VARIABLE const double DEG_PER_RAD
BALL_EXTERN_VARIABLE const double RAD_PER_DEG
BALL_EXTERN_VARIABLE const double MM_PER_INCH
BALL_EXTERN_VARIABLE const double M_PER_FOOT
BALL_EXTERN_VARIABLE const double JOULE_PER_CAL
BALL_EXTERN_VARIABLE const double CAL_PER_JOULE

Detailed Description

The constants namespace. This namespace contains definitions for some basic mathematical and physical constants. All constants are double precision.

There are basically two ways of accessing these constants:

Variable Documentation

BALL_EXTERN_VARIABLE const double BALL::Constants::a0

Bohr radius (alias)

BALL_EXTERN_VARIABLE const double BALL::Constants::AVOGADRO

Avogadro constant. In units of $mol^{-1}$ ($6.0221367 \cdot 10^{23} mol^{-1}$).

BALL_EXTERN_VARIABLE const double BALL::Constants::BOHR_RADIUS

Bohr radius. In units m ($5.29177249 \cdot 10^{-11}$ m).

BALL_EXTERN_VARIABLE const double BALL::Constants::BOLTZMANN

Boltzmann constant. In units of J/K ($1.380657 \cdot 10^{-23}$ J/K).

BALL_EXTERN_VARIABLE const double BALL::Constants::c

Speed of Light (alias)

Referenced by BALL::TQuaternion< T >::fromAxisAngle(), BALL::TQuaternion< T >::fromEulerAngles(), BALL::TQuaternion< T >::getAngle(), BALL::TQuaternion< T >::getAxis(), BALL::GetIntersection(), BALL::TQuaternion< T >::getRotationMatrix(), BALL::TLine3< T >::has(), BALL::TMatrix4x4< T >::invert(), BALL::TQuaternion< T >::j(), BALL::TQuaternion< T >::normalize(), BALL::BindingPocketProcessor::Sphere_::operator==(), BALL::operator>>(), BALL::PDBRecords::resize(), BALL::TQuaternion< T >::set(), BALL::TPlane3< T >::set(), BALL::TQuaternion< T >::setIdentity(), BALL::TQuaternion< T >::swap(), BALL::TQuaternion< T >::toAxisAngle(), and BALL::TPlane3< T >::TPlane3().

BALL_EXTERN_VARIABLE const double BALL::Constants::CAL_PER_JOULE

Calories per Joule. 1/JOULE_PER_CAL

BALL_EXTERN_VARIABLE const double BALL::Constants::DEG_PER_RAD

Degree per rad. 57.2957795130823209

BALL_EXTERN_VARIABLE const double BALL::Constants::E

Euler's number - base of the natural logarithm.

BALL_EXTERN_VARIABLE const double BALL::Constants::e0

Elementary charge (alias).

BALL_EXTERN_VARIABLE const double BALL::Constants::ELECTRON_MASS

Electron mass. In units of kg ($9.1093897 \cdot 10^{-31}$ kg).

BALL_EXTERN_VARIABLE const double BALL::Constants::ELEMENTARY_CHARGE

Elementary charge. In units of C ($1.60217738 \cdot 10^{-19} C$).

BALL_EXTERN_VARIABLE double BALL::Constants::EPSILON

Internal theshold for equality comparisons. Default value is 1e-6.

Referenced by BALL::Maths::isEqual(), BALL::Maths::isGreater(), BALL::Maths::isGreaterOrEqual(), BALL::Maths::isLess(), BALL::Maths::isLessOrEqual(), BALL::Maths::isNotEqual(), BALL::Maths::isNotZero(), BALL::Maths::isZero(), and BALL::TQuaternion< T >::toEulerAngles().

BALL_EXTERN_VARIABLE const double BALL::Constants::F

Faraday constant (alias)

BALL_EXTERN_VARIABLE const double BALL::Constants::FARADAY

Faraday constant (= NA * e0)

BALL_EXTERN_VARIABLE const double BALL::Constants::FINE_STRUCTURE_CONSTANT

Fine structure constant. Without unit ($7.29735 \cdot 10^{-3}$).

BALL_EXTERN_VARIABLE const double BALL::Constants::GAS_CONSTANT

Gas constant (= NA * k)

BALL_EXTERN_VARIABLE const double BALL::Constants::GRAVITATIONAL_CONSTANT

Gravitational constant. In units of $Nm^2kg^{-2}$ ($6.67259 \cdot 10^{-11} Nm^2kg^{-2}$).

BALL_EXTERN_VARIABLE const double BALL::Constants::h

Planck constant (alias)

Referenced by BALL::TVector4< T >::get(), BALL::TFFT3D< ComplexTraits >::getInterpolatedValue(), BALL::TFFT2D< ComplexTraits >::getInterpolatedValue(), BALL::TFFT1D< ComplexTraits >::getInterpolatedValue(), BALL::RombergIntegrator< Function, DataType >::integrate(), BALL::TVector4< T >::operator/(), BALL::TVector4< T >::operator/=(), BALL::TVector4< T >::operator=(), BALL::TVector4< T >::operator[](), and BALL::TVector4< T >::set().

BALL_EXTERN_VARIABLE const double BALL::Constants::JOULE_PER_CAL

Joules per calorie. 4.184

BALL_EXTERN_VARIABLE const double BALL::Constants::k

Boltzmann constant (alias)

Referenced by BALL::TMatrix4x4< T >::getDeterminant(), BALL::getDeterminant_(), BALL::TMatrix4x4< T >::invert(), BALL::QuadraticImproperTorsion::Values::operator==(), BALL::TFFT3D< ComplexTraits >::operator[](), and BALL::SolveSystem().

BALL_EXTERN_VARIABLE const double BALL::Constants::M_PER_FOOT

m per foot. 3.048

BALL_EXTERN_VARIABLE const double BALL::Constants::MM_PER_INCH

mm per inch. 25.4

BALL_EXTERN_VARIABLE const double BALL::Constants::MOL

Avogadro constant (alias)

BALL_EXTERN_VARIABLE const double BALL::Constants::NA

Avogadro constant (alias)

BALL_EXTERN_VARIABLE const double BALL::Constants::NEUTRON_MASS

Neutron mass. In units of kg ($1.6749286 \cdot 10^{-27}$ kg).

BALL_EXTERN_VARIABLE const double BALL::Constants::PI

PI.

Referenced by BALL::TVector3< float >::getAngle_(), BALL::getOrientedAngle(), BALL::getTorsionAngle(), BALL::TAngle< T >::normalize(), BALL::AmberTorsion::SingleAmberTorsion::SingleAmberTorsion(), and BALL::CharmmTorsion::SingleCharmmTorsion::SingleCharmmTorsion().

BALL_EXTERN_VARIABLE const double BALL::Constants::PLANCK

Planck constant. In units of Js ($6.6260754 \cdot 10^{-34}$ Js).

BALL_EXTERN_VARIABLE const double BALL::Constants::PROTON_MASS

Proton mass. In units of kg ($1.6726230 \cdot 10^{-27}$ kg).

BALL_EXTERN_VARIABLE const double BALL::Constants::R

Gas constant (alias)

BALL_EXTERN_VARIABLE const double BALL::Constants::RAD_PER_DEG

Rad per degree. 0.0174532925199432957

BALL_EXTERN_VARIABLE const double BALL::Constants::SPEED_OF_LIGHT

Speed of light. In units of m/s ($2.99792458 \cdot 10^8 ms^{-1}$).

BALL_EXTERN_VARIABLE const double BALL::Constants::VACUUM_PERMEABILITY

Vacuum permeability. In units of $Js^2C^{-2}m^{-1}$ ($4\pi \cdot 10^{-7} Js^2C^{-2}m^{-1}$).

BALL_EXTERN_VARIABLE const double BALL::Constants::VACUUM_PERMITTIVITY

Vacuum permittivity. In units of $C^2J^{-1}m^{-1}$ ($8.85419 \cdot 10^{-12} C^2J^{-1}m^{-1}$).