BALL::SolventAccessibleSurface Class Reference
[Molecular Surface Computation]

#include <BALL/STRUCTURE/solventAccessibleSurface.h>

List of all members.

Public Member Functions
Constructors and Destructors
	SolventAccessibleSurface ()
	SolventAccessibleSurface (const SolventAccessibleSurface &sas, bool=false)
	SolventAccessibleSurface (ReducedSurface *reduced_surface)
virtual	~SolventAccessibleSurface ()
Accessors
void	setVertex (SASVertex *vertex, Position i) throw (Exception::IndexOverflow)
SASVertex *	getVertex (Position i) const throw (Exception::IndexOverflow)
Size	numberOfVertices () const
void	setEdge (SASEdge *edge, Position i) throw (Exception::IndexOverflow)
SASEdge *	getEdge (Position i) const throw (Exception::IndexOverflow)
Size	numberOfEdges () const
void	setFace (SASFace *face, Position i) throw (Exception::IndexOverflow)
SASFace *	getFace (Position i) const throw (Exception::IndexOverflow)
Size	numberOfFaces () const
void	setRS (ReducedSurface *rs)
ReducedSurface *	getRS () const
void	clear ()
void	compute ()
Protected Attributes
Position	number_of_vertices_
::std::vector< SASVertex * >	vertices_
Position	number_of_edges_
::std::vector< SASEdge * >	edges_
Position	number_of_faces_
::std::vector< SASFace * >	faces_
ReducedSurface *	reduced_surface_
Private Member Functions
void	preProcessing ()
void	get ()
void	createFace (Position j)
void	createVertex (Position j)
void	createEdge (Position j)
Friends
Class friends
class TriangulatedSAS class SASTriangulator
class	TriangulatedSAS
class	SASTriangulator

---

Detailed Description

Generic SolventAccessibleSurface Class.

---

Constructor & Destructor Documentation

BALL::SolventAccessibleSurface::SolventAccessibleSurface

(

)

Default constructor. This method creates a new SolventAccessibleSurface object.

BALL::SolventAccessibleSurface::SolventAccessibleSurface	(	const SolventAccessibleSurface &	sas,
		bool	= false
	)

Copy constructor. Create a new SolventAccessibleSurface object from another.

Parameters:

	sas	the SolventAccessibleSurface object to be copied
	bool	ignored - just for interface consistency

BALL::SolventAccessibleSurface::SolventAccessibleSurface

(

ReducedSurface *

reduced_surface

)

Detailed constructor

virtual BALL::SolventAccessibleSurface::~SolventAccessibleSurface

(

)

[virtual]

Destructor. As there are no dynamic data structures, nothing happens.

---

Member Function Documentation

void BALL::SolventAccessibleSurface::clear

(

)

void BALL::SolventAccessibleSurface::compute

(

)

Computes the solvent excluded surface from a ReducedSurface object

void BALL::SolventAccessibleSurface::createEdge

(

Position

j

)

[private]

void BALL::SolventAccessibleSurface::createFace

(

Position

j

)

[private]

void BALL::SolventAccessibleSurface::createVertex

(

Position

j

)

[private]

void BALL::SolventAccessibleSurface::get

(

)

[private]

SASEdge* BALL::SolventAccessibleSurface::getEdge

(

Position

i

)

const throw (Exception::IndexOverflow)

SASFace* BALL::SolventAccessibleSurface::getFace

(

Position

i

)

const throw (Exception::IndexOverflow)

ReducedSurface* BALL::SolventAccessibleSurface::getRS

(

)

const

SASVertex* BALL::SolventAccessibleSurface::getVertex

(

Position

i

)

const throw (Exception::IndexOverflow)

Size BALL::SolventAccessibleSurface::numberOfEdges

(

)

const

Size BALL::SolventAccessibleSurface::numberOfFaces

(

)

const

Size BALL::SolventAccessibleSurface::numberOfVertices

(

)

const

void BALL::SolventAccessibleSurface::preProcessing

(

)

[private]

void BALL::SolventAccessibleSurface::setEdge	(	SASEdge *	edge,
		Position	i
	)			throw (Exception::IndexOverflow)

void BALL::SolventAccessibleSurface::setFace	(	SASFace *	face,
		Position	i
	)			throw (Exception::IndexOverflow)

void BALL::SolventAccessibleSurface::setRS

(

ReducedSurface *

rs

)

void BALL::SolventAccessibleSurface::setVertex	(	SASVertex *	vertex,
		Position	i
	)			throw (Exception::IndexOverflow)

---

Friends And Related Function Documentation

friend class SASTriangulator [friend]

friend class TriangulatedSAS [friend]

---

Member Data Documentation

::std::vector<SASEdge*> BALL::SolventAccessibleSurface::edges_ [protected]

::std::vector<SASFace*> BALL::SolventAccessibleSurface::faces_ [protected]

Position BALL::SolventAccessibleSurface::number_of_edges_ [protected]

Position BALL::SolventAccessibleSurface::number_of_faces_ [protected]

Position BALL::SolventAccessibleSurface::number_of_vertices_ [protected]

ReducedSurface* BALL::SolventAccessibleSurface::reduced_surface_ [protected]

::std::vector<SASVertex*> BALL::SolventAccessibleSurface::vertices_ [protected]