Molecule Class Reference

#include <model.h>

List of all members.

Public Member Functions
	Molecule ()
void	Type (int t)
int	Type ()
void	InternalEnergy (REAL e)
REAL	InternalEnergy ()
REAL	Coordinate (int i)
void	Coordinate (int i, REAL y)
REAL *	Coordinates ()
void	Coordinates (REAL y[])
void	setCoordinates (REAL y[])
REAL	Velocity (int i)
void	Velocity (int i, REAL u)
REAL *	Velocity ()
void	Velocity (REAL u[])
void	setVelocity (REAL u[])
REAL	KineticEnergy ()
	Retrieve kinetic energy.
void	Temperature (REAL temperature)
	Set internal energy according to temperature:.
void	Move ()
	Moving a molecule by one time step.
void	copy (Molecule *molecule)
Private Attributes
int	type
	points to the species[type];
REAL	energy
	internal energy
REAL	x [DIM]
	position of center of mass
REAL	v [DIM]
	velocity of center of mass

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Detailed Description

Definition at line 23 of file model.h.

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Constructor & Destructor Documentation

Molecule::Molecule

(

)

Definition at line 20 of file model.cc.

References energy, Run::time, and type.

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Member Function Documentation

void Molecule::Coordinate	(	int	i,
		REAL	y
	)			[inline]

Definition at line 103 of file model.h.

References DIM, and x.

REAL Molecule::Coordinate

(

int

i

)

[inline]

Definition at line 95 of file model.h.

References DIM, and x.

Referenced by copy(), Bulk::inject(), Boundary::Inject(), Domain::load(), and Domain::save().

void Molecule::Coordinates

(

REAL

y[]

)

[inline]

Definition at line 111 of file model.h.

References DIM, and x.

REAL* Molecule::Coordinates

(

)

[inline]

Definition at line 110 of file model.h.

References x.

Referenced by Domain::boundary(), Domain::computeBounds(), Gui::display(), Domain::interact(), and GridContainer::put().

void Molecule::copy

(

Molecule *

molecule

)

Definition at line 36 of file model.cc.

References Coordinate(), DIM, Type(), type, v, Velocity(), and x.

REAL Molecule::InternalEnergy

(

)

[inline]

Definition at line 86 of file model.h.

References energy.

Referenced by Temperature().

void Molecule::InternalEnergy

(

REAL

e

)

[inline]

Definition at line 85 of file model.h.

References energy.

Referenced by Domain::boundary(), Domain::interact(), Domain::load(), Domain::run(), and Domain::save().

REAL Molecule::KineticEnergy

(

)

Retrieve kinetic energy.

Definition at line 46 of file model.cc.

References DIM, Species::Specie::Mass(), REAL, Species::species, type, and v.

Referenced by Domain::boundary(), and Domain::run().

void Molecule::Move

(

)

Moving a molecule by one time step.

Definition at line 68 of file model.cc.

References DIM, Species::Specie::Mass(), Species::nspecies, REAL, SMALL, Species::species, Run::time, type, v, and x.

Referenced by Domain::run().

void Molecule::setCoordinates

(

REAL

y[]

)

[inline]

Definition at line 112 of file model.h.

References DIM, and x.

void Molecule::setVelocity

(

REAL

u[]

)

[inline]

Definition at line 130 of file model.h.

References DIM, and v.

void Molecule::Temperature

(

REAL

temperature

)

Set internal energy according to temperature:.

Set internal energy according to the temperature.

Parameters:

temperature

temperature in K

Definition at line 57 of file model.cc.

References AtomicMassUnit, BoltzmannConstant, Species::Specie::Cp(), DOF, DOFI, energy, InternalEnergy(), REAL, Species::species, and Type().

Referenced by Domain::init(), and Boundary::Inject().

int Molecule::Type

(

)

[inline]

Definition at line 50 of file model.h.

References type.

Referenced by Temperature().

void Molecule::Type

(

int

t

)

[inline]

Definition at line 49 of file model.h.

References type.

Referenced by Domain::boundary(), copy(), Gui::display(), Bulk::inject(), Boundary::Inject(), Domain::interact(), Domain::interaction(), Domain::load(), GridContainer::put(), Domain::run(), and Domain::save().

void Molecule::Velocity

(

REAL

u[]

)

[inline]

Definition at line 129 of file model.h.

References DIM, and v.

REAL* Molecule::Velocity

(

)

[inline]

Definition at line 128 of file model.h.

References v.

void Molecule::Velocity	(	int	i,
		REAL	u
	)			[inline]

Definition at line 121 of file model.h.

References DIM, and v.

REAL Molecule::Velocity

(

int

i

)

[inline]

Definition at line 113 of file model.h.

References DIM, and v.

Referenced by Domain::boundary(), copy(), Bulk::inject(), Boundary::Inject(), Domain::interact(), Domain::load(), GridContainer::put(), Domain::run(), and Domain::save().

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Member Data Documentation

REAL Molecule::energy [private]

internal energy

Definition at line 40 of file model.h.

Referenced by InternalEnergy(), Molecule(), and Temperature().

int Molecule::type [private]

points to the species[type];

Definition at line 24 of file model.h.

Referenced by copy(), KineticEnergy(), Molecule(), Move(), and Type().

REAL Molecule::v[DIM] [private]

velocity of center of mass

Definition at line 40 of file model.h.

Referenced by copy(), KineticEnergy(), Move(), setVelocity(), and Velocity().

REAL Molecule::x[DIM] [private]

position of center of mass

Definition at line 40 of file model.h.

Referenced by Coordinate(), Coordinates(), copy(), Move(), and setCoordinates().

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The documentation for this class was generated from the following files:

• model.h
• model.cc