BALL
1.4.1
|
#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) |
Generic SESComputer Class.
Definition at line 317 of file solventExcludedSurface.h.
Default constructor. This method creates a new SESComputer object.
Detailed constructor
virtual BALL::SESComputer::~SESComputer | ( | ) | [virtual] |
Destructor. As there are no dynamic data structures, nothing happens.
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] |
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.