BALL  1.4.2
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Protected Attributes | List of all members
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

SolventExcludedSurfaceses_
 
HashGrid3< Indexvertex_grid_
 

Private Member Functions

void preProcessing ()
 
void get ()
 
void createSphericFace (Position j)
 
SESVertexcreateVertex (const TVector3< double > &probe_center, Index index)
 
void pushVertex (SESFace *face, const TSphere3< double > &probe, RSVertex *rsvertex)
 
SESEdgecreateConcaveEdge (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)
 
SESEdgecreateConvexEdge (SESFace *toric_face, RSVertex *rsvertex)
 
void createToricFace (Position i)
 
void treatSingularToricFace (Position i)
 
void createFreeToricFace (Position i)
 
SESVertexcreateSingularVertex (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.