BALL 1.5.0
Classes | Public Types | Friends | List of all members
BALL::SESSingularityCleaner Class Reference

#include <BALL/STRUCTURE/solventExcludedSurface.h>

Classes

struct  ProbeIntersection
 

Public Types

typedef std::pair< std::pair< TAngle< double >, Index >, TVector3< double > > Intersection
 

Public Member Functions

Constructors and Destructors
 SESSingularityCleaner ()
 
 SESSingularityCleaner (SolventExcludedSurface *ses, HashGrid3< Index > *vertex_grid_)
 
virtual ~SESSingularityCleaner ()
 
Accessors
bool run ()
 

Friends

class SESComputer
 

Treatment of singularities (private)

SolventExcludedSurfaceses_
 
HashGrid3< Index > * vertex_grid_
 
HashMap< Position, HashMap< Position, HashMap< Position, ProbeIntersection * > > > probe_intersections_
 

Detailed Description

Generic SESComputer Class. <>

Definition at line 456 of file solventExcludedSurface.h.

Member Typedef Documentation

◆ Intersection

Definition at line 462 of file solventExcludedSurface.h.

Constructor & Destructor Documentation

◆ SESSingularityCleaner() [1/2]

BALL::SESSingularityCleaner::SESSingularityCleaner ( )

Default constructor. This method creates a new SESComputer object.

◆ SESSingularityCleaner() [2/2]

BALL::SESSingularityCleaner::SESSingularityCleaner ( SolventExcludedSurface ses,
HashGrid3< Index > *  vertex_grid_ 
)

Detailed constructor

◆ ~SESSingularityCleaner()

virtual BALL::SESSingularityCleaner::~SESSingularityCleaner ( )
virtual

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

Member Function Documentation

◆ run()

bool BALL::SESSingularityCleaner::run ( )

Solves the singularities

Exceptions
BALL::Exception::GeneralException

Friends And Related Function Documentation

◆ SESComputer

friend class SESComputer
friend

Definition at line 469 of file solventExcludedSurface.h.

Member Data Documentation

◆ probe_intersections_

HashMap< Position, HashMap< Position, HashMap< Position, ProbeIntersection* > > > BALL::SESSingularityCleaner::probe_intersections_
protected

Definition at line 639 of file solventExcludedSurface.h.

◆ ses_

SolventExcludedSurface* BALL::SESSingularityCleaner::ses_
protected

Definition at line 626 of file solventExcludedSurface.h.

◆ vertex_grid_

HashGrid3<Index>* BALL::SESSingularityCleaner::vertex_grid_
protected

Definition at line 630 of file solventExcludedSurface.h.