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.

Definition at line 38 of file solventAccessibleSurface.h.

---

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]

Definition at line 49 of file solventAccessibleSurface.h.

friend class TriangulatedSAS [friend]

Definition at line 48 of file solventAccessibleSurface.h.

---

Member Data Documentation

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

Definition at line 168 of file solventAccessibleSurface.h.

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

Definition at line 172 of file solventAccessibleSurface.h.

Position BALL::SolventAccessibleSurface::number_of_edges_ [protected]

Definition at line 166 of file solventAccessibleSurface.h.

Position BALL::SolventAccessibleSurface::number_of_faces_ [protected]

Definition at line 170 of file solventAccessibleSurface.h.

Position BALL::SolventAccessibleSurface::number_of_vertices_ [protected]

Definition at line 162 of file solventAccessibleSurface.h.

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

Definition at line 174 of file solventAccessibleSurface.h.

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

Definition at line 164 of file solventAccessibleSurface.h.