A class to hold Agents, calculate their positions, and store the background potential. More...

#include <cubicgrid.h>

Public Types
enum	CubeFace { Left = 0, Right = 1, Top = 2, Bottom = 3, Front = 4, Back = 5, NoFace = 6 }
	A way to indicate the faces of a cube. More...

Public Member Functions
	Grid (World &world, QObject *parent=0)
	Create a grid. More...

	~Grid ()
	Destroy the grid. More...

int	xSize ()
	Get the number of sites along the x-direction. More...

int	ySize ()
	Get the number of sites along the y-direction. More...

int	zSize ()
	Get the number of sites along the z-direction. More...

int	xyPlaneArea ()
	Get the number of sites in the xy-plane. More...

int	volume ()
	Get the total number of sites. More...

double	totalDistance (int site1, int site2)
	Get the distance between two sites. More...

double	xDistance (int site1, int site2)
	Get the distance along the x-direction between two sites. More...

double	yDistance (int site1, int site2)
	Get the distance along the y-direction between two sites. More...

double	zDistance (int site1, int site2)
	Get the distance along the z-direction between two sites. More...

double	xImageDistance (int site1, int site2)
	Get the image distance along the x-direction between two sites. More...

double	yImageDistance (int site1, int site2)
	Get the image distance along the y-direction between two sites. More...

double	zImageDistance (int site1, int site2)
	Get the image distance along the z-direction between two sites. More...

int	xDistancei (int site1, int site2)
	Get the integer distance along the x-direction between two sites. More...

int	yDistancei (int site1, int site2)
	Get the integer distance along the y-direction between two sites. More...

int	zDistancei (int site1, int site2)
	Get the integer distance along the z-direction between two sites. More...

int	xImageDistancei (int site1, int site2)
	Get the integer image distance along the x-direction between two sites. More...

int	yImageDistancei (int site1, int site2)
	Get the integer image distance along the y-direction between two sites. More...

int	zImageDistancei (int site1, int site2)
	Get the integer image distance along the z-direction between two sites. More...

int	getIndexS (int xIndex, int yIndex, int zIndex=0)
	Get the serial site ID. More...

int	getIndexY (int site)
	Get the "y-site ID" from the "s-site ID". More...

int	getIndexX (int site)
	Get the "x-site ID" from the "s-site ID". More...

int	getIndexZ (int site)
	Get the "z-site ID" from the "s-site ID". More...

double	getPositionY (int site)
	Get the y-position from the "s-site ID". More...

double	getPositionX (int site)
	Get the x-position from the "s-site ID". More...

double	getPositionZ (int site)
	Get the z-position from the "s-site ID". More...

Agent *	agentAddress (int site)
	Get a pointer to the Agent at a site. More...

Agent::Type	agentType (int site)
	Get the type of Agent at a site. More...

void	addToPotential (int site, double potential)
	Add some value to the background potential at a site. More...

void	setPotential (int site, double potential)
	Set the background potential at a site to some value. More...

double	potential (int site)
	Get the background potential at some site. More...

QVector< int >	neighborsSite (int site, int hoppingRange=1)
	Calculate the neighboring sites of a given site. More...

QVector< int >	neighborsFace (Grid::CubeFace cubeFace)
	Calculate the neighboring sites of a given face of the Grid. More...

QVector< int >	sliceIndex (int xi, int xf, int yi, int yf, int zi, int zf)
	Calculate the list of sites occupying a given range. More...

void	registerAgent (Agent *agent)
	Assign an Agent to a site in the Grid. More...

void	registerSpecialAgent (Agent *agent, Grid::CubeFace cubeFace)
	Assign an Agent to a special location. More...

void	unregisterAgent (Agent *agent)
	Remove an Agent from the Grid. More...

void	unregisterSpecialAgent (Agent *agent, Grid::CubeFace cubeFace)
	Remove an Agent from the special list of Agents in the Grid. More...

void	unregisterDefect (int site)
	Remove a defect from the Grid. More...

void	registerDefect (int site)
	Assign a site to be Agent::Defect. More...

int	specialAgentCount ()
	The total number of special Agents. More...

QList< Agent * > &	getSpecialAgentList (Grid::CubeFace cubeFace)
	Get a list of special Agents assigned to a specific Grid::CubeFace. More...

Static Public Member Functions
static QString	toQString (const Grid::CubeFace e)

Protected Attributes
World &	m_world
	Reference to the World object. More...

QVector< Agent * >	m_agents
	1D list of Agent pointers, the size of which is the volume of the Grid + the max number of special Agents. More...

QVector< double >	m_potentials
	1D list of site potentials, the size of which is the volume of the Grid + the max number of special Agents. More...

QVector< Agent::Type >	m_agentType
	1D list of Agent types, the size of which is the volume of the Grid + the max number of special Agents. More...

QList< QList< Agent * > >	m_specialAgents
	A list of lists of special agents, where each sub-list is for a different Grid::CubeFace. More...

int	m_specialAgentReserve
	The max number of special Agents allowed. More...

int	m_specialAgentCount
	The current number of special Agents registered with the Grid. More...

int	m_xSize
	The number of sites along the x-direction. More...

int	m_ySize
	The number of sites along the y-direction. More...

int	m_zSize
	The number of sites along the z-direction. More...

int	m_xyPlaneArea
	The number of sites in the xy-plane. More...

int	m_yzPlaneArea
	The number of sites in the yz-plane. More...

int	m_xzPlaneArea
	The number of sites in the xz-plane. More...

int	m_volume
	The total number of sites. More...

Detailed Description

A class to hold Agents, calculate their positions, and store the background potential.

The x-direction

perpendicular to the electrodes
runs from left to right
corresponds to the dimension called length.

The y-direction

parallel to the electrodes
runs from bottom to top
corresponds to the dimension called width.

The z-direction

parallel to the electrodes
runs from back to front
corresponds to the dimension called height.

Member Enumeration Documentation

enum LangmuirCore::Grid::CubeFace

A way to indicate the faces of a cube.

Enumerator
Left	x = 0, yz plane
Right	x = lx, yz plane
Top	z = 0, xy plane
Bottom	z = lz, xy plane
Front	y = 0, xz plane
Back	y = ly, xz plane
NoFace	undefined face

Constructor & Destructor Documentation

LangmuirCore::Grid::Grid	(	World &	world,
		QObject *	parent = `0`
	)

Create a grid.

Parameters

world	reference to the world object
parent	QObject this belongs to

LangmuirCore::Grid::~Grid ( )

Destroy the grid.

Member Function Documentation

void LangmuirCore::Grid::addToPotential	(	int	site,
		double	potential
	)

Add some value to the background potential at a site.

Parameters

site	the "s-site ID"
potential	the value to add

Agent* LangmuirCore::Grid::agentAddress ( int site )

Get a pointer to the Agent at a site.

Parameters

site	the "s-site ID"

Warning: may be NULL if there is no Agent

Agent::Type LangmuirCore::Grid::agentType ( int site )

Get the type of Agent at a site.

Parameters

site	the "s-site ID"

Warning: if there is no Agent, it should be Agent::Empty

int LangmuirCore::Grid::getIndexS	(	int	xIndex,
		int	yIndex,
		int	zIndex = `0`
	)

Get the serial site ID.

Parameters

xIndex	x site ID
yIndex	y site ID
zIndex	z site ID

The position of a particle in the Grid can be thought of as a 3-tuple of (x, y, z) site IDs. However, this 3-tuple can be mapped/hashed into a single number using the dimension of the grid, called the "serial site ID", the "s-site ID", or just the "site".

int LangmuirCore::Grid::getIndexX ( int site )

Get the "x-site ID" from the "s-site ID".

Parameters

site	the "s-site ID"

The y-site ID can be thought of as the x-value of the cornor of a Grid site.

See also: getIndexS

int LangmuirCore::Grid::getIndexY ( int site )

Get the "y-site ID" from the "s-site ID".

Parameters

site	the "s-site ID"

The y-site ID can be thought of as the y-value of the cornor of a Grid site.

See also: getIndexS

int LangmuirCore::Grid::getIndexZ ( int site )

Get the "z-site ID" from the "s-site ID".

Parameters

site	the "s-site ID"

The y-site ID can be thought of as the z-value of the cornor of a Grid site.

See also: getIndexS

double LangmuirCore::Grid::getPositionX ( int site )

Get the x-position from the "s-site ID".

Parameters

site	the "s-site ID"

Particles are considered to reside in the "center" of Grid sites. The x-position is therefore the "x-site ID" plus 0.5 in reduced units.

double LangmuirCore::Grid::getPositionY ( int site )

Get the y-position from the "s-site ID".

Parameters

site	the "s-site ID"

Particles are considered to reside in the "center" of Grid sites. The y-position is therefore the "y-site ID" plus 0.5 in reduced units.

double LangmuirCore::Grid::getPositionZ ( int site )

Get the z-position from the "s-site ID".

Parameters

site	the "s-site ID"

Particles are considered to reside in the "center" of Grid sites. The z-position is therefore the "z-site ID" plus 0.5 in reduced units.

QList<Agent *>& LangmuirCore::Grid::getSpecialAgentList ( Grid::CubeFace cubeFace )

Get a list of special Agents assigned to a specific Grid::CubeFace.

Parameters

cubeFace the face of the Grid

QVector<int> LangmuirCore::Grid::neighborsFace ( Grid::CubeFace cubeFace )

Calculate the neighboring sites of a given face of the Grid.

Parameters

cubeFace the face of the Grid to consider

QVector<int> LangmuirCore::Grid::neighborsSite	(	int	site,
		int	hoppingRange = `1`
	)

Calculate the neighboring sites of a given site.

Parameters

site	the "s-site ID"
hoppingRange	the number of adjacent sites to consider in the calculation

double LangmuirCore::Grid::potential ( int site )

Get the background potential at some site.

Parameters

site	the "s-site ID"

void LangmuirCore::Grid::registerAgent ( Agent * agent )

Assign an Agent to a site in the Grid.

Parameters

agent a pointer to the Agent

Warning: uses Agent::getCurrentSite(); site must be Agent::Empty

Makes sure the site is empty first. After assigning the Agent to the site, calculates and assigns the neighbors to the Agent.

void LangmuirCore::Grid::registerDefect ( int site )

Assign a site to be Agent::Defect.

Parameters

site

void LangmuirCore::Grid::registerSpecialAgent	(	Agent *	agent,
		Grid::CubeFace	cubeFace
	)

Assign an Agent to a special location.

Parameters

agent	a pointer to the Agent
cubeFace	the face of the Grid

Agents such as Sources and Drains do not occupy a site in the Grid, and so must be stored in a special location.

void LangmuirCore::Grid::setPotential	(	int	site,
		double	potential
	)

Set the background potential at a site to some value.

Parameters

site	the "s-site ID"
potential	the value to set

QVector<int> LangmuirCore::Grid::sliceIndex	(	int	xi,
		int	xf,
		int	yi,
		int	yf,
		int	zi,
		int	zf
	)

Calculate the list of sites occupying a given range.

Parameters

xi	starting x-site ID
xf	stopping x-site ID
yi	starting y-site ID
yf	stopping y-site ID
zi	starting z-site ID
zf	stopping z-site ID

int LangmuirCore::Grid::specialAgentCount ( )

The total number of special Agents.

static QString LangmuirCore::Grid::toQString ( const Grid::CubeFace e )

static

double LangmuirCore::Grid::totalDistance	(	int	site1,
		int	site2
	)

Get the distance between two sites.

Parameters

site1	the first site
site2	the second site

void LangmuirCore::Grid::unregisterAgent ( Agent * agent )

Remove an Agent from the Grid.

Parameters

agent a pointer to the Agent

void LangmuirCore::Grid::unregisterDefect ( int site )

Remove a defect from the Grid.

Parameters

site	the "s-site ID"

void LangmuirCore::Grid::unregisterSpecialAgent	(	Agent *	agent,
		Grid::CubeFace	cubeFace
	)

Remove an Agent from the special list of Agents in the Grid.

Parameters

agent	a pointer to the Agent
cubeFace	the face of the Grid

int LangmuirCore::Grid::volume ( )

Get the total number of sites.

double LangmuirCore::Grid::xDistance	(	int	site1,
		int	site2
	)

Get the distance along the x-direction between two sites.

Parameters

site1	the first site
site2	the second site

int LangmuirCore::Grid::xDistancei	(	int	site1,
		int	site2
	)

Get the integer distance along the x-direction between two sites.

Parameters

site1	the first site
site2	the second site

double LangmuirCore::Grid::xImageDistance	(	int	site1,
		int	site2
	)

Get the image distance along the x-direction between two sites.

Parameters

site1	the first site
site2	the second site (reflected)

The second site's x-position is taken to be the negative of its x-value (i.e., the particle is reflected through the yz-plane).

int LangmuirCore::Grid::xImageDistancei	(	int	site1,
		int	site2
	)

Get the integer image distance along the x-direction between two sites.

Parameters

site1	the first site
site2	the second site (reflected)

The second site's x-position is taken to be the negative of its x-value (i.e., the particle is reflected through the yz-plane).

int LangmuirCore::Grid::xSize ( )

Get the number of sites along the x-direction.

int LangmuirCore::Grid::xyPlaneArea ( )

Get the number of sites in the xy-plane.

double LangmuirCore::Grid::yDistance	(	int	site1,
		int	site2
	)

Get the distance along the y-direction between two sites.

Parameters

site1	the first site
site2	the second site

int LangmuirCore::Grid::yDistancei	(	int	site1,
		int	site2
	)

Get the integer distance along the y-direction between two sites.

Parameters

site1	the first site
site2	the second site

double LangmuirCore::Grid::yImageDistance	(	int	site1,
		int	site2
	)

Get the image distance along the y-direction between two sites.

Parameters

site1	the first site
site2	the second site (reflected)

The second site's y-position is taken to be the negative of its y-value (i.e., the particle is reflected through the xz-plane).

int LangmuirCore::Grid::yImageDistancei	(	int	site1,
		int	site2
	)

Get the integer image distance along the y-direction between two sites.

Parameters

site1	the first site
site2	the second site (reflected)

The second site's y-position is taken to be the negative of its y-value (i.e., the particle is reflected through the xz-plane).

int LangmuirCore::Grid::ySize ( )

Get the number of sites along the y-direction.

double LangmuirCore::Grid::zDistance	(	int	site1,
		int	site2
	)

Get the distance along the z-direction between two sites.

Parameters

site1	the first site
site2	the second site

int LangmuirCore::Grid::zDistancei	(	int	site1,
		int	site2
	)

Get the integer distance along the z-direction between two sites.

Parameters

site1	the first site
site2	the second site

double LangmuirCore::Grid::zImageDistance	(	int	site1,
		int	site2
	)

Get the image distance along the z-direction between two sites.

Parameters

site1	the first site
site2	the second site (reflected)

The second site's z-position is taken to be the negative of its z-value (i.e., the particle is reflected through the xy-plane).

int LangmuirCore::Grid::zImageDistancei	(	int	site1,
		int	site2
	)

Get the integer image distance along the z-direction between two sites.

Parameters

site1	the first site
site2	the second site (reflected)

The second site's z-position is taken to be the negative of its z-value (i.e., the particle is reflected through the xy-plane).

int LangmuirCore::Grid::zSize ( )

Get the number of sites along the z-direction.

Member Data Documentation

QVector<Agent *> LangmuirCore::Grid::m_agents

protected

1D list of Agent pointers, the size of which is the volume of the Grid + the max number of special Agents.

Warning: some of these may be NULL

Each position in the list is mapped to a position in the Grid. Use getIndexS() to calculate the serial site ID needed to index this list.

QVector<Agent::Type> LangmuirCore::Grid::m_agentType

protected

1D list of Agent types, the size of which is the volume of the Grid + the max number of special Agents.

Warning: some of these may be Agent::Empty

Each position in the list is mapped to a position in the Grid. Use getIndexS() to calculate the serial site ID needed to index this list.

QVector<double> LangmuirCore::Grid::m_potentials

protected

1D list of site potentials, the size of which is the volume of the Grid + the max number of special Agents.

Each position in the list is mapped to a position in the Grid. Use getIndexS() to calculate the serial site ID needed to index this list.

int LangmuirCore::Grid::m_specialAgentCount

protected

The current number of special Agents registered with the Grid.

int LangmuirCore::Grid::m_specialAgentReserve

protected

The max number of special Agents allowed.

QList< QList<Agent *> > LangmuirCore::Grid::m_specialAgents

protected

A list of lists of special agents, where each sub-list is for a different Grid::CubeFace.

int LangmuirCore::Grid::m_volume

protected

The total number of sites.

World& LangmuirCore::Grid::m_world

protected

Reference to the World object.

int LangmuirCore::Grid::m_xSize

protected

The number of sites along the x-direction.

int LangmuirCore::Grid::m_xyPlaneArea

protected

The number of sites in the xy-plane.

int LangmuirCore::Grid::m_xzPlaneArea

protected

The number of sites in the xz-plane.

int LangmuirCore::Grid::m_ySize

protected

The number of sites along the y-direction.

int LangmuirCore::Grid::m_yzPlaneArea

protected

The number of sites in the yz-plane.

int LangmuirCore::Grid::m_zSize

protected

The number of sites along the z-direction.

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

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

Public Types

Public Member Functions

Static Public Member Functions

Protected Attributes

Detailed Description

Member Enumeration Documentation

Constructor & Destructor Documentation

Member Function Documentation

Member Data Documentation