A class to hold all objects in a simulation. More...

#include <world.h>

Public Member Functions
	World (const QString &fileName, int cores=-1, int gpuID=-1, QObject *parent=0)
	create a world to simulate in More...

	World (SimulationParameters &parameters, int cores=-1, int gpuID=-1, QObject *parent=0)

	World (SimulationParameters &parameters, ConfigurationInfo &configInfo, int cores=-1, int gpuID=-1, QObject *parent=0)

	~World ()
	destroys the entire World, and everything in it...including you. More...

KeyValueParser &	keyValueParser ()
	get the KeyValueParser, used for parsing input files. More...

CheckPointer &	checkPointer ()
	get the CheckPointer, used for reading and writing input files. More...

Grid &	electronGrid ()
	get the Grid used, used for holding ElectronAgents More...

Grid &	holeGrid ()
	get the hole Grid, used for holding HoleAgents More...

Potential &	potential ()
	get the Potential, a calculator used for...calculating the potential. More...

SimulationParameters &	parameters ()
	get the SimulationParameters, a struct used for holding simulation parameters. More...

Random &	randomNumberGenerator ()
	get the Random, used for creating random numbers More...

Logger &	logger ()
	get the Logger, used for writing output More...

OpenClHelper &	opencl ()
	get the OpenClHelper, used for calculating Coulomb interactions with a Graphics Card More...

QList< SourceAgent * > &	sources ()
	get a list of all SourceAgents More...

QList< SourceAgent * > &	eSources ()
	get a list of all ElectronSourceAgents More...

QList< SourceAgent * > &	hSources ()
	get a list of all ElectronSourceAgents More...

QList< SourceAgent * > &	xSources ()
	get a list of all ElectronSourceAgents More...

QList< DrainAgent * > &	drains ()
	get a list of all DrainAgents More...

QList< DrainAgent * > &	eDrains ()
	get a list of all ElectronSourceAgents More...

QList< DrainAgent * > &	hDrains ()
	get a list of all ElectronSourceAgents More...

QList< DrainAgent * > &	xDrains ()
	get a list of all ElectronSourceAgents More...

QList< FluxAgent * > &	fluxes ()
	get a list of all FluxAgents More...

ElectronSourceAgent &	electronSourceAgentRight ()
	get the right ElectronSourceAgent More...

ElectronSourceAgent &	electronSourceAgentLeft ()
	get the left ElectronSourceAgent More...

HoleSourceAgent &	holeSourceAgentRight ()
	get the right HoleSourceAgent More...

HoleSourceAgent &	holeSourceAgentLeft ()
	get the left HoleSourceAgent More...

ExcitonSourceAgent &	excitonSourceAgent ()
	get the RecombinationAgent More...

ElectronDrainAgent &	electronDrainAgentRight ()
	get the right ElectronDrainAgent More...

ElectronDrainAgent &	electronDrainAgentLeft ()
	get the left ElectronDrainAgent More...

HoleDrainAgent &	holeDrainAgentRight ()
	get the right HoleDrainAgent More...

HoleDrainAgent &	holeDrainAgentLeft ()
	get the left HoleDrainAgent More...

RecombinationAgent &	recombinationAgent ()
	get the RecombinationAgent More...

QList< ChargeAgent * > &	electrons ()
	get a list of all ElectronAgents More...

QList< ChargeAgent * > &	holes ()
	get a list of all HoleAgents More...

QList< int > &	defectSiteIDs ()
	get a list of all defect sites More...

QList< int > &	trapSiteIDs ()
	get a list of all trap sites More...

QList< double > &	trapSitePotentials ()
	get a list of all trap potentials More...

boost::multi_array< double, 3 > &	R1 ()
	get the array of precomputed r-squared values More...

boost::multi_array< double, 3 > &	R2 ()
	get the array of precomputed r values More...

boost::multi_array< double, 3 > &	iR ()
	get the array of precomputed inverse-r values More...

boost::multi_array< double, 3 > &	eR ()
	get the array of precomputed erf(r/(sqrt(2)*sigma)) More...

boost::multi_array< double, 3 > &	sI ()
	get the self interactions More...

boost::multi_array< double, 3 > &	couplingConstants ()
	get the coupling constants More...

int	maxElectronAgents ()
	get the max number of ElectronAgents allowed More...

int	maxHoleAgents ()
	get the max number of HoleAgents allowed More...

int	maxChargeAgents ()
	get the max number of ChargeAgents allowed More...

int	maxChargeAgentsAndChargedDefects ()
	get the max number of ChargeAgents & charged defects More...

int	maxDefects ()
	get the max number of Defects allowed More...

int	maxTraps ()
	get the max number of Traps allowed More...

int	numElectronAgents ()
	get the current number of ElectronAgents More...

int	numHoleAgents ()
	get the current number of HoleAgents More...

int	numChargeAgents ()
	get the current number of ChargeAgents More...

int	electronsMinusHoles ()
	The number of electrons - holes. More...

int	holesMinusElectrons ()
	The number of holes - electrons. More...

bool	chargesAreBalanced ()
	true when electrons and holes are balanced More...

int	numChargeAgentsAndChargedDefects ()
	get the current number of ChargeAgents & charged defects More...

int	numDefects ()
	get the current number of Defects More...

int	numTraps ()
	get the current number of Traps More...

double	reachedChargeAgents ()
	get the percent of ChargeAgents reached, of the max allowed More...

double	reachedElectronAgents ()
	get the percent of ElectronAgents reached, of the max allowed More...

double	reachedHoleAgents ()
	get the percent of HoleAgents reached, of the max allowed More...

double	percentHoleAgents ()
	get the percent of HoleAgents reached, of the total grid volume More...

double	percentElectronAgents ()
	get the percent of ElectronAgents reached, of the total grid volume More...

bool	atMaxElectrons ()
	check if the maximum number of electrons has been reached More...

bool	atMaxHoles ()
	check if the maximum number of holes has been reached More...

bool	atMaxCharges ()
	check if the maximum number of charges has been reached More...

Private Member Functions
void	placeDefects (const QList< int > &siteIDs=QList< int >())
	places defects More...

void	placeElectrons (const QList< int > &siteIDs=QList< int >())
	places electrons More...

void	placeHoles (const QList< int > &siteIDs=QList< int >())
	places holes More...

void	createSources ()
	create SourceAgents More...

void	createDrains ()
	create DrainAgents More...

void	setFluxInfo (const QList< quint64 > &fluxInfo)
	set attempts / successes for sources / drains More...

void	alterMaxThreads (int cores=-1)
	Change the number of cores used. More...

void	initialize (const QString &fileName="", SimulationParameters pparameters=NULL, ConfigurationInfo pconfigInfo=NULL, int cores=-1, int gpuID=-1)
	initialize all objects More...

Private Attributes
KeyValueParser *	m_keyValueParser
	pointer to KeyValueParser, used for parsing key=value pairs More...

CheckPointer *	m_checkPointer
	pointer to CheckPointer, used for reading/writing input(checkpoint) files More...

QList< SourceAgent * >	m_sources
	list of SourceAgents More...

QList< SourceAgent * >	m_eSources
	list of ElectronSourceAgents More...

QList< SourceAgent * >	m_hSources
	list of HoleSourceAgents More...

QList< SourceAgent * >	m_xSources
	list of ExcitonSourceAgents More...

QList< DrainAgent * >	m_drains
	list of DrainAgents More...

QList< DrainAgent * >	m_eDrains
	list of ElectronSourceAgents More...

QList< DrainAgent * >	m_hDrains
	list of HoleSourceAgents More...

QList< DrainAgent * >	m_xDrains
	list of ExcitonSourceAgents More...

QList< FluxAgent * >	m_fluxAgents
	list of all FluxAgents, such as SoureAgents, DrainAgents, etc. More...

ElectronSourceAgent *	m_electronSourceAgentRight
	pointer to right ElectronDrainAgent More...

ElectronSourceAgent *	m_electronSourceAgentLeft
	pointer to left ElectronDrainAgent More...

HoleSourceAgent *	m_holeSourceAgentRight
	pointer to right HoleDrainAgent More...

HoleSourceAgent *	m_holeSourceAgentLeft
	pointer to left HoleDrainAgent More...

ExcitonSourceAgent *	m_excitonSourceAgent
	pointer to ExcitonSourceAgent, used for injecting Excitons More...

ElectronDrainAgent *	m_electronDrainAgentRight
	pointer to right ElectronDrainAgent More...

ElectronDrainAgent *	m_electronDrainAgentLeft
	pointer to left ElectronDrainAgent More...

HoleDrainAgent *	m_holeDrainAgentRight
	pointer to right HoleDrainAgent More...

HoleDrainAgent *	m_holeDrainAgentLeft
	pointer to left HoleDrainAgent More...

RecombinationAgent *	m_recombinationAgent
	pointer to electron/hole RecombinationAgent, used for removing Excitons More...

Grid *	m_electronGrid
	pointer to electron Grid, used for keeping track of ElectronAgents More...

Grid *	m_holeGrid
	pointer to hole Grid, used for keeping track of HoleAgents More...

Random *	m_rand
	pointer to Random, used for generating random numbers More...

Potential *	m_potential
	pointer to Potential, used for calculating the potential More...

SimulationParameters *	m_parameters
	pointer to SimulationParameters More...

Logger *	m_logger
	pointer to Logger, used for output More...

OpenClHelper *	m_ocl
	pointer to OpenClHelper, used for Graphics Card calculations More...

QList< ChargeAgent * >	m_electrons
	list of electrons More...

QList< ChargeAgent * >	m_holes
	list of holes More...

QList< int >	m_defectSiteIDs
	list of defect sites More...

QList< int >	m_trapSiteIDs
	list of trap sites More...

QList< double >	m_trapSitePotentials
	list of trap potentials More...

boost::multi_array< double, 3 >	m_R2
	array of precomputed r-squared values More...

boost::multi_array< double, 3 >	m_R1
	array of precomputed r values More...

boost::multi_array< double, 3 >	m_iR
	array of precomputed inverse-r values More...

boost::multi_array< double, 3 >	m_eR
	array of precomputed erf(r/(s*sqrt(2)) values More...

boost::multi_array< double, 3 >	m_sI
	self interaction, which is 1/(4 pi e e0 r), with r=1 grid unit When a charge at it's future site interacts with other charges at their current site, the charge will interact with it's own current site. So, this value needs to be subtracted off. More...

boost::multi_array< double, 3 >	m_couplingConstants
	array of coupling constants More...

int	m_maxElectrons
	max number of electrons More...

int	m_maxHoles
	max number of holes More...

int	m_maxDefects
	max number of defects More...

int	m_maxTraps
	max number of traps More...

Detailed Description

A class to hold all objects in a simulation.

Constructor & Destructor Documentation

LangmuirCore::World::World	(	const QString &	fileName,
		int	cores = `-1`,
		int	gpuID = `-1`,
		QObject *	parent = `0`
	)

create a world to simulate in

Parameters

fileName	the input file name
cores	number of CPU cores
gpuID	OpenCL GPU id
parent	QObject this belongs to

Calls the initialize() function.

LangmuirCore::World::World	(	SimulationParameters &	parameters,
		int	cores = `-1`,
		int	gpuID = `-1`,
		QObject *	parent = `0`
	)

LangmuirCore::World::World	(	SimulationParameters &	parameters,
		ConfigurationInfo &	configInfo,
		int	cores = `-1`,
		int	gpuID = `-1`,
		QObject *	parent = `0`
	)

LangmuirCore::World::~World ( )

destroys the entire World, and everything in it...including you.

Member Function Documentation

void LangmuirCore::World::alterMaxThreads ( int cores = -1 )

private

Change the number of cores used.

Parameters

cores the number of cores

bool LangmuirCore::World::atMaxCharges ( )

check if the maximum number of charges has been reached

bool LangmuirCore::World::atMaxElectrons ( )

check if the maximum number of electrons has been reached

bool LangmuirCore::World::atMaxHoles ( )

check if the maximum number of holes has been reached

bool LangmuirCore::World::chargesAreBalanced ( )

true when electrons and holes are balanced

CheckPointer& LangmuirCore::World::checkPointer ( )

get the CheckPointer, used for reading and writing input files.

boost::multi_array<double,3>& LangmuirCore::World::couplingConstants ( )

get the coupling constants

void LangmuirCore::World::createDrains ( )

private

create DrainAgents

void LangmuirCore::World::createSources ( )

private

create SourceAgents

QList<int>& LangmuirCore::World::defectSiteIDs ( )

get a list of all defect sites

QList<DrainAgent*>& LangmuirCore::World::drains ( )

get a list of all DrainAgents

QList<DrainAgent*>& LangmuirCore::World::eDrains ( )

get a list of all ElectronSourceAgents

ElectronDrainAgent& LangmuirCore::World::electronDrainAgentLeft ( )

get the left ElectronDrainAgent

ElectronDrainAgent& LangmuirCore::World::electronDrainAgentRight ( )

get the right ElectronDrainAgent

Grid& LangmuirCore::World::electronGrid ( )

get the Grid used, used for holding ElectronAgents

QList<ChargeAgent*>& LangmuirCore::World::electrons ( )

get a list of all ElectronAgents

int LangmuirCore::World::electronsMinusHoles ( )

The number of electrons - holes.

ElectronSourceAgent& LangmuirCore::World::electronSourceAgentLeft ( )

get the left ElectronSourceAgent

ElectronSourceAgent& LangmuirCore::World::electronSourceAgentRight ( )

get the right ElectronSourceAgent

boost::multi_array<double,3>& LangmuirCore::World::eR ( )

get the array of precomputed erf(r/(sqrt(2)*sigma))

QList<SourceAgent*>& LangmuirCore::World::eSources ( )

get a list of all ElectronSourceAgents

ExcitonSourceAgent& LangmuirCore::World::excitonSourceAgent ( )

get the RecombinationAgent

QList<FluxAgent*>& LangmuirCore::World::fluxes ( )

get a list of all FluxAgents

QList<DrainAgent*>& LangmuirCore::World::hDrains ( )

get a list of all ElectronSourceAgents

HoleDrainAgent& LangmuirCore::World::holeDrainAgentLeft ( )

get the left HoleDrainAgent

HoleDrainAgent& LangmuirCore::World::holeDrainAgentRight ( )

get the right HoleDrainAgent

Grid& LangmuirCore::World::holeGrid ( )

get the hole Grid, used for holding HoleAgents

QList<ChargeAgent*>& LangmuirCore::World::holes ( )

get a list of all HoleAgents

int LangmuirCore::World::holesMinusElectrons ( )

The number of holes - electrons.

HoleSourceAgent& LangmuirCore::World::holeSourceAgentLeft ( )

get the left HoleSourceAgent

HoleSourceAgent& LangmuirCore::World::holeSourceAgentRight ( )

get the right HoleSourceAgent

QList<SourceAgent*>& LangmuirCore::World::hSources ( )

get a list of all ElectronSourceAgents

void LangmuirCore::World::initialize	(	const QString &	fileName = `""`,
		SimulationParameters *	pparameters = `NULL`,
		ConfigurationInfo *	pconfigInfo = `NULL`,
		int	cores = `-1`,
		int	gpuID = `-1`
	)

private

initialize all objects

Parameters

fileName	input file name
pparameters	pointer to a parameters object
pconfigInfo	pointer to a configuration info object
cores	number of CPU cores
gpuID	OpenCL GPU id

A very long, though not all that complicated function that creates all the simulation objects. Best to read through it in the source code.

boost::multi_array<double,3>& LangmuirCore::World::iR ( )

get the array of precomputed inverse-r values

KeyValueParser& LangmuirCore::World::keyValueParser ( )

get the KeyValueParser, used for parsing input files.

Logger& LangmuirCore::World::logger ( )

get the Logger, used for writing output

int LangmuirCore::World::maxChargeAgents ( )

get the max number of ChargeAgents allowed

int LangmuirCore::World::maxChargeAgentsAndChargedDefects ( )

get the max number of ChargeAgents & charged defects

int LangmuirCore::World::maxDefects ( )

get the max number of Defects allowed

int LangmuirCore::World::maxElectronAgents ( )

get the max number of ElectronAgents allowed

int LangmuirCore::World::maxHoleAgents ( )

get the max number of HoleAgents allowed

int LangmuirCore::World::maxTraps ( )

get the max number of Traps allowed

int LangmuirCore::World::numChargeAgents ( )

get the current number of ChargeAgents

int LangmuirCore::World::numChargeAgentsAndChargedDefects ( )

get the current number of ChargeAgents & charged defects

int LangmuirCore::World::numDefects ( )

get the current number of Defects

int LangmuirCore::World::numElectronAgents ( )

get the current number of ElectronAgents

int LangmuirCore::World::numHoleAgents ( )

get the current number of HoleAgents

int LangmuirCore::World::numTraps ( )

get the current number of Traps

OpenClHelper& LangmuirCore::World::opencl ( )

get the OpenClHelper, used for calculating Coulomb interactions with a Graphics Card

SimulationParameters& LangmuirCore::World::parameters ( )

get the SimulationParameters, a struct used for holding simulation parameters.

double LangmuirCore::World::percentElectronAgents ( )

get the percent of ElectronAgents reached, of the total grid volume

double LangmuirCore::World::percentHoleAgents ( )

get the percent of HoleAgents reached, of the total grid volume

void LangmuirCore::World::placeDefects ( const QList< int > & siteIDs = QList< int >() )

private

places defects

Parameters

siteIDs a list of defect site ids

Places carriers according to the site ids passed. If more need placing (according to SimulationParameters::seedCharges), then they are placed randomly.

void LangmuirCore::World::placeElectrons ( const QList< int > & siteIDs = QList< int >() )

private

places electrons

Parameters

siteIDs a list of electron site ids

Places carriers according to the site ids passed. If more need placing (according to SimulationParameters::seedCharges), then they are placed randomly.

void LangmuirCore::World::placeHoles ( const QList< int > & siteIDs = QList< int >() )

private

places holes

Parameters

siteIDs a list of hole site ids

Places carriers according to the site ids passed. If more need placing (according to SimulationParameters::seedCharges), then they are placed randomly.

Potential& LangmuirCore::World::potential ( )

get the Potential, a calculator used for...calculating the potential.

boost::multi_array<double,3>& LangmuirCore::World::R1 ( )

get the array of precomputed r-squared values

boost::multi_array<double,3>& LangmuirCore::World::R2 ( )

get the array of precomputed r values

Random& LangmuirCore::World::randomNumberGenerator ( )

get the Random, used for creating random numbers

double LangmuirCore::World::reachedChargeAgents ( )

get the percent of ChargeAgents reached, of the max allowed

double LangmuirCore::World::reachedElectronAgents ( )

get the percent of ElectronAgents reached, of the max allowed

double LangmuirCore::World::reachedHoleAgents ( )

get the percent of HoleAgents reached, of the max allowed

RecombinationAgent& LangmuirCore::World::recombinationAgent ( )

get the RecombinationAgent

void LangmuirCore::World::setFluxInfo ( const QList< quint64 > & fluxInfo )

private

set attempts / successes for sources / drains

boost::multi_array<double, 3>& LangmuirCore::World::sI ( )

get the self interactions

QList<SourceAgent*>& LangmuirCore::World::sources ( )

get a list of all SourceAgents

QList<int>& LangmuirCore::World::trapSiteIDs ( )

get a list of all trap sites

QList<double>& LangmuirCore::World::trapSitePotentials ( )

get a list of all trap potentials

QList<DrainAgent*>& LangmuirCore::World::xDrains ( )

get a list of all ElectronSourceAgents

QList<SourceAgent*>& LangmuirCore::World::xSources ( )

get a list of all ElectronSourceAgents

Member Data Documentation

CheckPointer* LangmuirCore::World::m_checkPointer

private

pointer to CheckPointer, used for reading/writing input(checkpoint) files

boost::multi_array<double,3> LangmuirCore::World::m_couplingConstants

private

array of coupling constants

This array is indexed by dx, dy, dz values.

QList<int> LangmuirCore::World::m_defectSiteIDs

private

list of defect sites

QList<DrainAgent*> LangmuirCore::World::m_drains

private

list of DrainAgents

QList<DrainAgent*> LangmuirCore::World::m_eDrains

private

list of ElectronSourceAgents

ElectronDrainAgent* LangmuirCore::World::m_electronDrainAgentLeft

private

pointer to left ElectronDrainAgent

ElectronDrainAgent* LangmuirCore::World::m_electronDrainAgentRight

private

pointer to right ElectronDrainAgent

Grid* LangmuirCore::World::m_electronGrid

private

pointer to electron Grid, used for keeping track of ElectronAgents

QList<ChargeAgent*> LangmuirCore::World::m_electrons

private

list of electrons

ElectronSourceAgent* LangmuirCore::World::m_electronSourceAgentLeft

private

pointer to left ElectronDrainAgent

ElectronSourceAgent* LangmuirCore::World::m_electronSourceAgentRight

private

pointer to right ElectronDrainAgent

boost::multi_array<double,3> LangmuirCore::World::m_eR

private

array of precomputed erf(r/(s*sqrt(2)) values

This array is indexed by dx, dy, dz values, and r is in grid-units

QList<SourceAgent*> LangmuirCore::World::m_eSources

private

list of ElectronSourceAgents

ExcitonSourceAgent* LangmuirCore::World::m_excitonSourceAgent

private

pointer to ExcitonSourceAgent, used for injecting Excitons

QList<FluxAgent*> LangmuirCore::World::m_fluxAgents

private

list of all FluxAgents, such as SoureAgents, DrainAgents, etc.

QList<DrainAgent*> LangmuirCore::World::m_hDrains

private

list of HoleSourceAgents

HoleDrainAgent* LangmuirCore::World::m_holeDrainAgentLeft

private

pointer to left HoleDrainAgent

HoleDrainAgent* LangmuirCore::World::m_holeDrainAgentRight

private

pointer to right HoleDrainAgent

Grid* LangmuirCore::World::m_holeGrid

private

pointer to hole Grid, used for keeping track of HoleAgents

QList<ChargeAgent*> LangmuirCore::World::m_holes

private

list of holes

HoleSourceAgent* LangmuirCore::World::m_holeSourceAgentLeft

private

pointer to left HoleDrainAgent

HoleSourceAgent* LangmuirCore::World::m_holeSourceAgentRight

private

pointer to right HoleDrainAgent

QList<SourceAgent*> LangmuirCore::World::m_hSources

private

list of HoleSourceAgents

boost::multi_array<double,3> LangmuirCore::World::m_iR

private

array of precomputed inverse-r values

This array is indexed by dx, dy, dz values, and r is in grid-units

KeyValueParser* LangmuirCore::World::m_keyValueParser

private

pointer to KeyValueParser, used for parsing key=value pairs

Logger* LangmuirCore::World::m_logger

private

pointer to Logger, used for output

int LangmuirCore::World::m_maxDefects

private

max number of defects

int LangmuirCore::World::m_maxElectrons

private

max number of electrons

int LangmuirCore::World::m_maxHoles

private

max number of holes

int LangmuirCore::World::m_maxTraps

private

max number of traps

OpenClHelper* LangmuirCore::World::m_ocl

private

pointer to OpenClHelper, used for Graphics Card calculations

SimulationParameters* LangmuirCore::World::m_parameters

private

pointer to SimulationParameters

Potential* LangmuirCore::World::m_potential

private

pointer to Potential, used for calculating the potential

boost::multi_array<double,3> LangmuirCore::World::m_R1

private

array of precomputed r values

This array is indexed by dx, dy, dz values, and r is in grid-units

boost::multi_array<double,3> LangmuirCore::World::m_R2

private

array of precomputed r-squared values

This array is indexed by dx, dy, dz values, and r is in grid-units

Random* LangmuirCore::World::m_rand

private

pointer to Random, used for generating random numbers

RecombinationAgent* LangmuirCore::World::m_recombinationAgent

private

pointer to electron/hole RecombinationAgent, used for removing Excitons

boost::multi_array<double, 3> LangmuirCore::World::m_sI

private

self interaction, which is 1/(4 pi e e0 r), with r=1 grid unit When a charge at it's future site interacts with other charges at their current site, the charge will interact with it's own current site. So, this value needs to be subtracted off.

QList<SourceAgent*> LangmuirCore::World::m_sources

private

list of SourceAgents

QList<int> LangmuirCore::World::m_trapSiteIDs

private

list of trap sites

QList<double> LangmuirCore::World::m_trapSitePotentials

private

list of trap potentials

QList<DrainAgent*> LangmuirCore::World::m_xDrains

private

list of ExcitonSourceAgents

QList<SourceAgent*> LangmuirCore::World::m_xSources

private

list of ExcitonSourceAgents

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

/home/adam/opt/langmuir/src/langmuirCore/include/world.h

Public Member Functions

Private Member Functions

Private Attributes

Detailed Description

Constructor & Destructor Documentation

Member Function Documentation

Member Data Documentation