BALL::SESComputer Class Reference

#include <BALL/STRUCTURE/solventExcludedSurface.h>

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.