Units Struct Reference

Contains fundamental constants and unit conversion factors used throughout the simulation. More...

Collaboration diagram for Units:

Public Types
enum class	System : std::size_t { RASPA = 0 , ReducedUnits = 1 }

Static Public Member Functions
static void	setUnits (Units::System unit_system)
static std::string	printStatus ()
	Generates a string representation of the current unit settings.
static nlohmann::json	jsonStatus ()
	Generates a JSON object containing the current unit settings.

Static Public Attributes
static Units::System	unitSystem
static constexpr double	Angstrom = 1e-10
	The length of one angstrom in meters.
static constexpr double	AngstromCubed = 1e-30
	The volume of one cubic angstrom in cubic meters.
static constexpr double	NanoSecond = 1e-9
	The length of one nanosecond in seconds.
static constexpr double	PicoSecond = 1e-12
	The length of one picosecond in seconds.
static constexpr double	FemtoSecond = 1e-15
	The length of one femtosecond in seconds.
static constexpr double	AtomicMassUnit = 1.6605402e-27
	The mass of one atomic mass unit in kilograms.
static constexpr double	ElectronicChargeUnit = 1.60217733e-19
	The charge of an electron in coulombs per particle.
static constexpr double	MolarGasConstant = 8.314464919
	The molar gas constant in joules per mole per kelvin.
static constexpr double	BoltzmannConstant = 1.380650324e-23
	The Boltzmann constant in joules per kelvin.
static constexpr double	SpeedOfLight = 299792458.0
	The speed of light in meters per second.
static constexpr double	AvogadroConstant = 6.0221419947e23
	Avogadro's constant in particles per mole.
static constexpr double	ElectricConstant = 8.8541878176e-12
	The electric constant (vacuum permittivity) in coulombs squared per newton square meters.
static constexpr double	PlanckConstant = 6.6260687652e-34
	Planck's constant in joule seconds.
static constexpr double	DielectricConstantVacuum = 8.8541878176e-12
	The vacuum dielectric constant in farads per meter.
static constexpr double	Debye = 3.335640952e-30
	The value of one Debye in coulomb meters.
static constexpr double	CalToJoule = 4.184
	Conversion factor from calories to joules.
static constexpr double	JouleToCal = 1.0 / CalToJoule
	Conversion factor from joules to calories.
static constexpr double	EvToKJPerMol = 96.48534
	Conversion factor from electron volts to kilojoules per mole.
static constexpr double	EvToKelvin = EvToKJPerMol * 1000.0 / MolarGasConstant
	Conversion factor from electron volts to kelvin.
static constexpr double	PaToAtm = (1.0 / 101325.0)
	Conversion factor from pascals to atmospheres.
static constexpr double	PatoBar = 0.00001
	Conversion factor from pascals to bars.
static constexpr double	PaToTorr = 0.0075
	Conversion factor from pascals to torr.
static constexpr double	KPaToAtm = 1.0 / 101.325
	Conversion factor from kilopascals to atmospheres.
static constexpr double	KPaToBar = 0.01
	Conversion factor from kilopascals to bars.
static constexpr double	KPaToTorr = 7.5
	Conversion factor from kilopascals to torr.
static constexpr double	BarToTorr = 750.062
	Conversion factor from bars to torr.
static constexpr double	BarToAtm = 0.9869
	Conversion factor from bars to atmospheres.
static constexpr double	BarTokPa = 100.0
	Conversion factor from bars to kilopascals.
static constexpr double	AtmToTorr = 760
	Conversion factor from atmospheres to torr.
static constexpr double	AtmToBar = 1.0 / 0.9869
	Conversion factor from atmospheres to bars.
static constexpr double	AtmTokPa = 101.325
	Conversion factor from atmospheres to kilopascals.
static constexpr double	AtmToPa = 101325.0
	Conversion factor from atmospheres to pascals.
static constexpr double	DegreesToRadians = std::numbers::pi / 180.0
static constexpr double	RadiansToDegrees = 180.0 / std::numbers::pi
static double	LengthUnit
	The simulation's base unit of length in meters.
static double	TimeUnit
	The simulation's base unit of time in seconds.
static double	MassUnit
	The simulation's base unit of mass in kilograms.
static double	ChargeUnit
	The simulation's base unit of charge in coulombs per particle.
static double	EnergyUnit
	Conversion factor for energy from simulation units to J.
static double	LengthConversionFactor
static double	EnergyConversionFactor
	Conversion factor for energy from simulation units to joules.
static double	MassConversionFactor
	Conversion factor for mass from simulation units to kilograms.
static double	ChargeConversionFactor
	Conversion factor for charge from simulation units to Coulomb per particle.
static double	TimeConversionFactor
	Conversion factor for time from simulation units to seconds.
static double	VelocityConversionFactor
	Conversion factor for velocity from simulation units to meters per second.
static double	ForceConversionFactor
	Conversion factor for force from simulation units to newtons.
static double	DiffusionConversionFactor
	Conversion factor for diffusion from simulation units to square meters per second.
static double	AccelerationConversionFactor
	Conversion factor for acceleration from simulation units to meters per square second.
static double	TorqueConversionFactor
	Conversion factor for torque from simulation units to Newton meters.
static double	TemperatureConversionFactor
	Conversion factor for temperature from simulation units to K.
static double	KB
static double	PressureConversionFactor
	Conversion factor for pressure from simulation units to pascals.
static double	VolumeConversionFactor
	Conversion factor for volume from simulation units to cubic meters.
static double	DensityConversionFactor
	Conversion factor for density from simulation units to kilograms per cubic meter.
static double	DynamicViscosityConversionFactor
	Conversion factor for dynamic viscosity from simulation units to Pascal second.
static double	EnthalpyConversionFactor
	Conversion factor for enthalpy from simulation units to J.
static double	PolarizilibityConversionFactor
	Conversion factor for polarizability from simulation units to SI units.
static double	DielectricConstantConversionFactor
	Conversion factor for dielectric constant from simulation units to SI units.
static double	CoulombicConversionFactor
	Conversion factor for Coulomb potential from simulation units to SI units.
static double	DipoleMomentConversionFactor
	Conversion factor for position from simulation units to meters.
static double	DebyeConversionFactor
	Conversion factor from simulation units to Debye units.
static double	ElectricPotentialConversionFactor
	Conversion factor for electric potential from simulation units to volts.
static double	ElectricFieldConversionFactor
	Conversion factor for electric field from simulation units to volts per meter.
static double	IsothermalCompressibilityConversionFactor
	Conversion factor for isothermal compressibility from simulation units to per Pascal.
static double	HeatCapacityConversionFactor
	Conversion factor for heat capacity from simulation units to joules per mole per kelvin.
static double	VolumetricExpansionCoefficientConversionFactor
	Conversion factor for volumetric expansion coefficient from simulation units to SI units.
static double	FeymannHibbsConversionFactor
	Conversion factor for Feynman-Hibbs correction from simulation units to SI units.
static double	EnergyToKelvin
	Conversion factor from simulation energy units to kelvin.
static double	KelvinToEnergy
	Conversion factor from kelvin to simulation energy units.
static double	EnergyToKJPerMol
	Conversion factor from simulation energy units to kilojoules per mole.
static double	EnergyToEV
	Conversion factor from simulation energy units to electron volts.
static double	EnergyToKCalPerMol
	Conversion factor from simulation energy units to kilocalories per mole.
static double	KCalPerMolToEnergy
	Conversion factor from kilocalories per mole to simulation energy units.
static std::string	unitOfLengthString
static std::string	unitOfEnergyString
static std::string	unitOfEnergyPerMolString
static std::string	unitOfMassString
static std::string	unitOfChargeString
static std::string	unitOfTimeString
static std::string	displayedUnitOfLengthString
static std::string	displayedUnitOfEnergyString
static std::string	displayedUnitOfEnergyConversionString
static std::string	unitOfVelocityString
static std::string	unitOfForceString
static std::string	unitOfDiffusionString
static std::string	unitOfAccelerationString
static std::string	unitOfTorqueString
static std::string	unitOfTemperatureString
static std::string	unitOfBoltzmannFactorString
static std::string	unitOfPressureString
static std::string	unitOfVolumeString
static std::string	unitOfDensityString
static std::string	unitOfDynamicViscosityString
static std::string	unitOfEnthalpyString
static std::string	unitOfEnthalpyPerMolString
static std::string	unitOfPolarizabilityString
static std::string	unitOfCoulombPotentialString
static std::string	unitOfDielectricConstantString
static std::string	unitOfDipoleMomentString
static std::string	unitOfDebyeString
static std::string	unitOfElectricPotentialString
static std::string	unitOfElectricFieldString
static std::string	unitOfIsothermalCompressibilityString
static std::string	unitOfHeatCapacityString
static std::string	unitOfVolumetricExpansionCoefficientString

Detailed Description

Contains fundamental constants and unit conversion factors used throughout the simulation.

The Units namespace provides definitions for various physical constants, base units, and derived units. It includes fundamental constants such as the speed of light, Boltzmann constant, and Planck constant. Additionally, it defines the simulation's base units for length, time, mass, and charge, and calculates derived units and their conversion factors, which are used to convert between simulation units and SI units. The namespace also provides functions to output the unit settings in human-readable or JSON format.

Member Function Documentation

jsonStatus()

static nlohmann::json Units::jsonStatus ( )

static

Generates a JSON object containing the current unit settings.

Returns a JSON object that includes the base units, derived units, and their conversion factors. This can be used to serialize the unit settings for output to files or for inter-process communication.

Returns

A JSON object with the unit settings.

printStatus()

static std::string Units::printStatus ( )

static

Generates a string representation of the current unit settings.

Returns a formatted string that lists the base units, derived units, and their conversion factors used in the simulation. This can be used to output the unit settings to logs or console.

Returns

A string containing the unit settings.

Member Data Documentation

LengthConversionFactor

double Units::LengthConversionFactor

static

Derived units and their conversion factors

Conversion factor for length from simulation units to meter.

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The documentation for this struct was generated from the following file:

• src/raspakit/units.ixx