BALL::SESComputer Class Reference
[Molecular Surface Computation]

#include <BALL/STRUCTURE/solventExcludedSurface.h>

List of all members.

Public Member Functions
Constructors and Destructors
	SESComputer ()
	SESComputer (SolventExcludedSurface *ses)
virtual	~SESComputer ()
Accessors
void	run () throw (Exception::GeneralException)
Protected Attributes
SolventExcludedSurface *	ses_
HashGrid3< Index >	vertex_grid_
Private Member Functions
void	preProcessing ()
void	get ()
void	createSphericFace (Position j)
SESVertex *	createVertex (const TVector3< double > &probe_center, Index index)
void	pushVertex (SESFace *face, const TSphere3< double > &probe, RSVertex *rsvertex)
SESEdge *	createConcaveEdge (SESFace *spheric_face, Position p1, Position p2, Index index, const double &radius_of_probe)
void	pushConcaveEdge (SESFace *face, Position p1, Position p2, const double &radius_of_probe)
SESEdge *	createConvexEdge (SESFace *toric_face, RSVertex *rsvertex)
void	createToricFace (Position i)
void	treatSingularToricFace (Position i)
void	createFreeToricFace (Position i)
SESVertex *	createSingularVertex (Position ip, const TVector3< double > &dir, SESFace *face0, SESFace *face1, SESFace *face2, SESEdge *edge0, SESEdge *edge1, SESEdge *edge2)
void	updateEdge (SESEdge *edge, SESVertex *vertex1, SESVertex *vertex2, bool is_new)
void	getPoint (const TVector3< double > &p1, const TVector3< double > &p2, const double &dist, TVector3< double > &result)
Index	vertexExists (const TVector3< double > &point)

---

Detailed Description

Generic SESComputer Class.

Definition at line 317 of file solventExcludedSurface.h.

---

Constructor & Destructor Documentation

BALL::SESComputer::SESComputer

(

)

Default constructor. This method creates a new SESComputer object.

BALL::SESComputer::SESComputer

(

SolventExcludedSurface *

ses

)

Detailed constructor

virtual BALL::SESComputer::~SESComputer

(

)

[virtual]

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

---

Member Function Documentation

SESEdge* BALL::SESComputer::createConcaveEdge	(	SESFace *	spheric_face,
		Position	p1,
		Position	p2,
		Index	index,
		const double &	radius_of_probe
	)			[private]

SESEdge* BALL::SESComputer::createConvexEdge	(	SESFace *	toric_face,
		RSVertex *	rsvertex
	)			[private]

void BALL::SESComputer::createFreeToricFace

(

Position

i

)

[private]

SESVertex* BALL::SESComputer::createSingularVertex	(	Position	ip,
		const TVector3< double > &	dir,
		SESFace *	face0,
		SESFace *	face1,
		SESFace *	face2,
		SESEdge *	edge0,
		SESEdge *	edge1,
		SESEdge *	edge2
	)			[private]

void BALL::SESComputer::createSphericFace

(

Position

j

)

[private]

void BALL::SESComputer::createToricFace

(

Position

i

)

[private]

SESVertex* BALL::SESComputer::createVertex	(	const TVector3< double > &	probe_center,
		Index	index
	)			[private]

void BALL::SESComputer::get

(

)

[private]

void BALL::SESComputer::getPoint	(	const TVector3< double > &	p1,
		const TVector3< double > &	p2,
		const double &	dist,
		TVector3< double > &	result
	)			[private]

void BALL::SESComputer::preProcessing

(

)

[private]

void BALL::SESComputer::pushConcaveEdge	(	SESFace *	face,
		Position	p1,
		Position	p2,
		const double &	radius_of_probe
	)			[private]

void BALL::SESComputer::pushVertex	(	SESFace *	face,
		const TSphere3< double > &	probe,
		RSVertex *	rsvertex
	)			[private]

void BALL::SESComputer::run

(

)

throw (Exception::GeneralException)

Computes the solvent excluded surface

void BALL::SESComputer::treatSingularToricFace

(

Position

i

)

[private]

void BALL::SESComputer::updateEdge	(	SESEdge *	edge,
		SESVertex *	vertex1,
		SESVertex *	vertex2,
		bool	is_new
	)			[private]

Index BALL::SESComputer::vertexExists

(

const TVector3< double > &

point

)

[private]

---

Member Data Documentation

SolventExcludedSurface* BALL::SESComputer::ses_ [protected]

Definition at line 444 of file solventExcludedSurface.h.

HashGrid3<Index> BALL::SESComputer::vertex_grid_ [protected]

Definition at line 447 of file solventExcludedSurface.h.