Simulation Class Reference

Class defining a time-integration simulation. More...

#include <Simulation.h>

Inheritance diagram for Simulation:

Public Member Functions
	Simulation (ParticleContainer &pc, Arguments &args, Thermostat &t, FlowSimulationAnalyzer &analyzer)
	Constructs a new Simulation.
virtual	~Simulation ()
	Destroys the current Simulation object.
virtual void	runSimulation ()
	Main function for running the simulation.
ParticleContainer &	getParticles ()
	Gets a reference to the ParticleContainer storing the simulation's particles.

Protected Member Functions
void	initializeBase ()
	Base function for initializing Simulation parameters.
void	runSimulationLoop (CellContainer *lc=nullptr)
	Runs a basic simulation loop.

Protected Attributes
ParticleContainer &	m_particles
	Reference to the ParticleContainer containing the particles used in the simulation.
Arguments &	m_args
	Reference to the Arguments struct containing simulation parameters.
Thermostat &	m_thermostat
	Reference to the Thermostat, for temperature regulation.
FlowSimulationAnalyzer &	m_analyzer
	Reference to the FlowSimulationAnalyzer, for statistics computation.
int	m_totalIt
	The total number of iterations for which the simulation will run.
std::unique_ptr< FileWriter >	m_writer
	A pointer to the FileWriter object used for writing file output.
TimeIntegrationFuncs::VFunc	m_calculateV
	Function for calculating the Particle velocities.
TimeIntegrationFuncs::XFunc	m_calculateX
	Function for calculating the Particle positions.
StrategyFactory::FFunc	m_calculateF
	Function for calculating the force effective on each Particle.
Timer	m_timer
	Timer used to measure simulation runtime and log molecule updates per second (MUPS).

Detailed Description

Class defining a time-integration simulation.

Constructor & Destructor Documentation

Simulation()

Simulation::Simulation	(	ParticleContainer &	pc,
		Arguments &	args,
		Thermostat &	t,
		FlowSimulationAnalyzer &	analyzer
	)

Constructs a new Simulation.

Parameters

pc	The ParticleContainer containing the simulation molecules.
args	The Arguments struct containing the simulation metadata.
t	The Thermostat used for temperature regulation.
analyzer	The Anlayzer used for statistics computation.

~Simulation()

virtual Simulation::~Simulation ( )

virtual

Destroys the current Simulation object.

Member Function Documentation

getParticles()

ParticleContainer & Simulation::getParticles

(

)

Gets a reference to the ParticleContainer storing the simulation's particles.

Returns

A reference to the simulation's ParticleContainer.

initializeBase()

void Simulation::initializeBase ( )

protected

Base function for initializing Simulation parameters.

runSimulation()

virtual void Simulation::runSimulation ( )

virtual

Main function for running the simulation.

Reimplemented in SimulationLC.

runSimulationLoop()

void Simulation::runSimulationLoop ( CellContainer *  lc = nullptr )

protected

Runs a basic simulation loop.

The particle container must not be empty.

Parameters

lc	An optional parameter for linked cell algorithms.

Member Data Documentation

m_analyzer

FlowSimulationAnalyzer& Simulation::m_analyzer

protected

Reference to the FlowSimulationAnalyzer, for statistics computation.

m_args

Arguments& Simulation::m_args

protected

Reference to the Arguments struct containing simulation parameters.

m_calculateF

StrategyFactory::FFunc Simulation::m_calculateF

protected

Function for calculating the force effective on each Particle.

m_calculateV

TimeIntegrationFuncs::VFunc Simulation::m_calculateV

protected

Function for calculating the Particle velocities.

m_calculateX

TimeIntegrationFuncs::XFunc Simulation::m_calculateX

protected

Function for calculating the Particle positions.

m_particles

ParticleContainer& Simulation::m_particles

protected

Reference to the ParticleContainer containing the particles used in the simulation.

m_thermostat

Thermostat& Simulation::m_thermostat

protected

Reference to the Thermostat, for temperature regulation.

m_timer

Timer Simulation::m_timer

protected

Timer used to measure simulation runtime and log molecule updates per second (MUPS).

m_totalIt

int Simulation::m_totalIt

protected

The total number of iterations for which the simulation will run.

m_writer

std::unique_ptr<FileWriter> Simulation::m_writer

protected

A pointer to the FileWriter object used for writing file output.

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

• src/simulations/Simulation.h