BALL 1.5.0
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BALL::SolventAccessibleSurface Class Reference

#include <BALL/STRUCTURE/solventAccessibleSurface.h>

Public Member Functions

Constructors and Destructors
 SolventAccessibleSurface ()
 
 SolventAccessibleSurface (const SolventAccessibleSurface &sas, bool=false)
 
 SolventAccessibleSurface (ReducedSurface *reduced_surface)
 
virtual ~SolventAccessibleSurface ()
 

Friends

Class friends
class TriangulatedSAS
 
class SASTriangulator
 

Accessors

Position number_of_vertices_
 
::std::vector< SASVertex * > vertices_
 
Position number_of_edges_
 
::std::vector< SASEdge * > edges_
 
Position number_of_faces_
 
::std::vector< SASFace * > faces_
 
ReducedSurfacereduced_surface_
 
void setVertex (SASVertex *vertex, Position i)
 
SASVertexgetVertex (Position i) const
 
Size numberOfVertices () const
 
void setEdge (SASEdge *edge, Position i)
 
SASEdgegetEdge (Position i) const
 
Size numberOfEdges () const
 
void setFace (SASFace *face, Position i)
 
SASFacegetFace (Position i) const
 
Size numberOfFaces () const
 
void setRS (ReducedSurface *rs)
 
ReducedSurfacegetRS () const
 
void clear ()
 
void compute ()
 

Detailed Description

Generic SolventAccessibleSurface Class.


Definition at line 38 of file solventAccessibleSurface.h.

Constructor & Destructor Documentation

◆ SolventAccessibleSurface() [1/3]

BALL::SolventAccessibleSurface::SolventAccessibleSurface ( )

Default constructor. This method creates a new SolventAccessibleSurface object.

◆ SolventAccessibleSurface() [2/3]

BALL::SolventAccessibleSurface::SolventAccessibleSurface ( const SolventAccessibleSurface & sas,
bool = false )

Copy constructor. Create a new SolventAccessibleSurface object from another.

Parameters
sasthe SolventAccessibleSurface object to be copied
boolignored - just for interface consistency

◆ SolventAccessibleSurface() [3/3]

BALL::SolventAccessibleSurface::SolventAccessibleSurface ( ReducedSurface * reduced_surface)

Detailed constructor

◆ ~SolventAccessibleSurface()

virtual BALL::SolventAccessibleSurface::~SolventAccessibleSurface ( )
virtual

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

Member Function Documentation

◆ clear()

void BALL::SolventAccessibleSurface::clear ( )

◆ compute()

void BALL::SolventAccessibleSurface::compute ( )

Computes the solvent excluded surface from a ReducedSurface object

◆ getEdge()

SASEdge * BALL::SolventAccessibleSurface::getEdge ( Position i) const

◆ getFace()

SASFace * BALL::SolventAccessibleSurface::getFace ( Position i) const

◆ getRS()

ReducedSurface * BALL::SolventAccessibleSurface::getRS ( ) const

◆ getVertex()

SASVertex * BALL::SolventAccessibleSurface::getVertex ( Position i) const

◆ numberOfEdges()

Size BALL::SolventAccessibleSurface::numberOfEdges ( ) const

◆ numberOfFaces()

Size BALL::SolventAccessibleSurface::numberOfFaces ( ) const

◆ numberOfVertices()

Size BALL::SolventAccessibleSurface::numberOfVertices ( ) const

◆ setEdge()

void BALL::SolventAccessibleSurface::setEdge ( SASEdge * edge,
Position i )

◆ setFace()

void BALL::SolventAccessibleSurface::setFace ( SASFace * face,
Position i )

◆ setRS()

void BALL::SolventAccessibleSurface::setRS ( ReducedSurface * rs)

◆ setVertex()

void BALL::SolventAccessibleSurface::setVertex ( SASVertex * vertex,
Position i )

Friends And Related Symbol Documentation

◆ SASTriangulator

friend class SASTriangulator
friend

Definition at line 49 of file solventAccessibleSurface.h.

◆ TriangulatedSAS

friend class TriangulatedSAS
friend

Definition at line 48 of file solventAccessibleSurface.h.

Member Data Documentation

◆ edges_

::std::vector<SASEdge*> BALL::SolventAccessibleSurface::edges_
protected

Definition at line 168 of file solventAccessibleSurface.h.

◆ faces_

::std::vector<SASFace*> BALL::SolventAccessibleSurface::faces_
protected

Definition at line 172 of file solventAccessibleSurface.h.

◆ number_of_edges_

Position BALL::SolventAccessibleSurface::number_of_edges_
protected

Definition at line 166 of file solventAccessibleSurface.h.

◆ number_of_faces_

Position BALL::SolventAccessibleSurface::number_of_faces_
protected

Definition at line 170 of file solventAccessibleSurface.h.

◆ number_of_vertices_

Position BALL::SolventAccessibleSurface::number_of_vertices_
protected

Definition at line 162 of file solventAccessibleSurface.h.

◆ reduced_surface_

ReducedSurface* BALL::SolventAccessibleSurface::reduced_surface_
protected

Definition at line 174 of file solventAccessibleSurface.h.

◆ vertices_

::std::vector<SASVertex*> BALL::SolventAccessibleSurface::vertices_
protected

Definition at line 164 of file solventAccessibleSurface.h.