BALL  1.5.0
Protected Attributes | List of all members
BALL::SolventExcludedSurface Class Reference

#include <BALL/STRUCTURE/solventExcludedSurface.h>

Public Types

Type definitions
typedef std::vector< SESVertex * >::iterator VertexIterator
 
typedef std::vector< SESVertex * >::const_iterator ConstVertexIterator
 
typedef std::vector< SESEdge * >::iterator EdgeIterator
 
typedef std::vector< SESEdge * >::const_iterator ConstEdgeIterator
 
typedef std::list< SESEdge * >::iterator SingularEdgeIterator
 
typedef std::list< SESEdge * >::const_iterator ConstSingularEdgeIterator
 
typedef std::vector< SESFace * >::iterator ContactFaceIterator
 
typedef std::vector< SESFace * >::const_iterator ConstContactFaceIterator
 
typedef std::vector< SESFace * >::iterator SphericFaceIterator
 
typedef std::vector< SESFace * >::const_iterator ConstSphericFaceIterator
 
typedef std::vector< SESFace * >::iterator ToricFaceIterator
 
typedef std::vector< SESFace * >::const_iterator ConstToricFaceIterator
 

Public Member Functions

Constructors and Destructors
 SolventExcludedSurface ()
 
 SolventExcludedSurface (const SolventExcludedSurface &ses, bool=false)
 
 SolventExcludedSurface (ReducedSurface *reduced_surface)
 
virtual ~SolventExcludedSurface ()
 
Accessors
void clear ()
 
void clean (const double &density)
 
void compute ()
 
void splitSphericFaces ()
 
bool check ()
 
External Iterators
VertexIterator beginVertex ()
 
ConstVertexIterator beginVertex () const
 
VertexIterator endVertex ()
 
ConstVertexIterator endVertex () const
 
EdgeIterator beginEdge ()
 
ConstEdgeIterator beginEdge () const
 
EdgeIterator endEdge ()
 
ConstEdgeIterator endEdge () const
 
SingularEdgeIterator beginSingularEdge ()
 
ConstSingularEdgeIterator beginSingularEdge () const
 
SingularEdgeIterator endSingularEdge ()
 
ConstSingularEdgeIterator endSingularEdge () const
 
ContactFaceIterator beginContactFace ()
 
ConstContactFaceIterator beginContactFace () const
 
ContactFaceIterator endContactFace ()
 
ConstContactFaceIterator endContactFace () const
 
SphericFaceIterator beginSphericFace ()
 
ConstSphericFaceIterator beginSphericFace () const
 
SphericFaceIterator endSphericFace ()
 
ConstSphericFaceIterator endSphericFace () const
 
ToricFaceIterator beginToricFace ()
 
ConstToricFaceIterator beginToricFace () const
 
ToricFaceIterator endToricFace ()
 
ConstToricFaceIterator endToricFace () const
 

Protected Attributes

Position number_of_vertices_
 
::std::vector< SESVertex * > vertices_
 
Position number_of_edges_
 
::std::vector< SESEdge * > edges_
 
Position number_of_singular_edges_
 
::std::list< SESEdge * > singular_edges_
 
Position number_of_contact_faces_
 
::std::vector< SESFace * > contact_faces_
 
Position number_of_toric_faces_
 
::std::vector< SESFace * > toric_faces_
 
Position number_of_spheric_faces_
 
::std::vector< SESFace * > spheric_faces_
 
ReducedSurfacereduced_surface_
 

Friends

Class friends
class SESComputer
 
class SESSingularityCleaner
 
class TriangulatedSES
 
class SESTriangulator
 

Detailed Description

Generic SolventExcludedSurface Class.

Definition at line 66 of file solventExcludedSurface.h.

Member Typedef Documentation

◆ ConstContactFaceIterator

typedef std::vector<SESFace*>::const_iterator BALL::SolventExcludedSurface::ConstContactFaceIterator

Definition at line 104 of file solventExcludedSurface.h.

◆ ConstEdgeIterator

typedef std::vector<SESEdge*>::const_iterator BALL::SolventExcludedSurface::ConstEdgeIterator

Definition at line 96 of file solventExcludedSurface.h.

◆ ConstSingularEdgeIterator

Definition at line 100 of file solventExcludedSurface.h.

◆ ConstSphericFaceIterator

typedef std::vector<SESFace*>::const_iterator BALL::SolventExcludedSurface::ConstSphericFaceIterator

Definition at line 108 of file solventExcludedSurface.h.

◆ ConstToricFaceIterator

typedef std::vector<SESFace*>::const_iterator BALL::SolventExcludedSurface::ConstToricFaceIterator

Definition at line 112 of file solventExcludedSurface.h.

◆ ConstVertexIterator

typedef std::vector<SESVertex*>::const_iterator BALL::SolventExcludedSurface::ConstVertexIterator

Definition at line 92 of file solventExcludedSurface.h.

◆ ContactFaceIterator

Definition at line 102 of file solventExcludedSurface.h.

◆ EdgeIterator

typedef std::vector<SESEdge*>::iterator BALL::SolventExcludedSurface::EdgeIterator

Definition at line 94 of file solventExcludedSurface.h.

◆ SingularEdgeIterator

Definition at line 98 of file solventExcludedSurface.h.

◆ SphericFaceIterator

Definition at line 106 of file solventExcludedSurface.h.

◆ ToricFaceIterator

Definition at line 110 of file solventExcludedSurface.h.

◆ VertexIterator

Definition at line 90 of file solventExcludedSurface.h.

Constructor & Destructor Documentation

◆ SolventExcludedSurface() [1/3]

BALL::SolventExcludedSurface::SolventExcludedSurface ( )

Default constructor. This method creates a new SolventExcludedSurface object.

◆ SolventExcludedSurface() [2/3]

BALL::SolventExcludedSurface::SolventExcludedSurface ( const SolventExcludedSurface ses,
bool  = false 
)

Copy constructor. Create a new SolventExcludedSurface object from another.

Parameters
sesthe SolventExcludedSurface object to be copied
boolignored - just for interface consistency

◆ SolventExcludedSurface() [3/3]

BALL::SolventExcludedSurface::SolventExcludedSurface ( ReducedSurface reduced_surface)

Detailed constructor

◆ ~SolventExcludedSurface()

virtual BALL::SolventExcludedSurface::~SolventExcludedSurface ( )
virtual

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

Member Function Documentation

◆ beginContactFace() [1/2]

ContactFaceIterator BALL::SolventExcludedSurface::beginContactFace ( )

◆ beginContactFace() [2/2]

ConstContactFaceIterator BALL::SolventExcludedSurface::beginContactFace ( ) const

◆ beginEdge() [1/2]

EdgeIterator BALL::SolventExcludedSurface::beginEdge ( )

◆ beginEdge() [2/2]

ConstEdgeIterator BALL::SolventExcludedSurface::beginEdge ( ) const

◆ beginSingularEdge() [1/2]

SingularEdgeIterator BALL::SolventExcludedSurface::beginSingularEdge ( )

◆ beginSingularEdge() [2/2]

ConstSingularEdgeIterator BALL::SolventExcludedSurface::beginSingularEdge ( ) const

◆ beginSphericFace() [1/2]

SphericFaceIterator BALL::SolventExcludedSurface::beginSphericFace ( )

◆ beginSphericFace() [2/2]

ConstSphericFaceIterator BALL::SolventExcludedSurface::beginSphericFace ( ) const

◆ beginToricFace() [1/2]

ToricFaceIterator BALL::SolventExcludedSurface::beginToricFace ( )

◆ beginToricFace() [2/2]

ConstToricFaceIterator BALL::SolventExcludedSurface::beginToricFace ( ) const

◆ beginVertex() [1/2]

VertexIterator BALL::SolventExcludedSurface::beginVertex ( )

◆ beginVertex() [2/2]

ConstVertexIterator BALL::SolventExcludedSurface::beginVertex ( ) const

◆ check()

bool BALL::SolventExcludedSurface::check ( )

◆ clean()

void BALL::SolventExcludedSurface::clean ( const double density)

◆ clear()

void BALL::SolventExcludedSurface::clear ( )

◆ compute()

void BALL::SolventExcludedSurface::compute ( )

Computes the solvent excluded surface from a ReducedSurface object

Exceptions
BALL::Exception::GeneralException

◆ endContactFace() [1/2]

ContactFaceIterator BALL::SolventExcludedSurface::endContactFace ( )

◆ endContactFace() [2/2]

ConstContactFaceIterator BALL::SolventExcludedSurface::endContactFace ( ) const

◆ endEdge() [1/2]

EdgeIterator BALL::SolventExcludedSurface::endEdge ( )

◆ endEdge() [2/2]

ConstEdgeIterator BALL::SolventExcludedSurface::endEdge ( ) const

◆ endSingularEdge() [1/2]

SingularEdgeIterator BALL::SolventExcludedSurface::endSingularEdge ( )

◆ endSingularEdge() [2/2]

ConstSingularEdgeIterator BALL::SolventExcludedSurface::endSingularEdge ( ) const

◆ endSphericFace() [1/2]

SphericFaceIterator BALL::SolventExcludedSurface::endSphericFace ( )

◆ endSphericFace() [2/2]

ConstSphericFaceIterator BALL::SolventExcludedSurface::endSphericFace ( ) const

◆ endToricFace() [1/2]

ToricFaceIterator BALL::SolventExcludedSurface::endToricFace ( )

◆ endToricFace() [2/2]

ConstToricFaceIterator BALL::SolventExcludedSurface::endToricFace ( ) const

◆ endVertex() [1/2]

VertexIterator BALL::SolventExcludedSurface::endVertex ( )

◆ endVertex() [2/2]

ConstVertexIterator BALL::SolventExcludedSurface::endVertex ( ) const

◆ splitSphericFaces()

void BALL::SolventExcludedSurface::splitSphericFaces ( )

Friends And Related Function Documentation

◆ SESComputer

friend class SESComputer
friend

Definition at line 78 of file solventExcludedSurface.h.

◆ SESSingularityCleaner

friend class SESSingularityCleaner
friend

Definition at line 79 of file solventExcludedSurface.h.

◆ SESTriangulator

friend class SESTriangulator
friend

Definition at line 81 of file solventExcludedSurface.h.

◆ TriangulatedSES

friend class TriangulatedSES
friend

Definition at line 80 of file solventExcludedSurface.h.

Member Data Documentation

◆ contact_faces_

::std::vector<SESFace*> BALL::SolventExcludedSurface::contact_faces_
protected

Definition at line 281 of file solventExcludedSurface.h.

◆ edges_

::std::vector<SESEdge*> BALL::SolventExcludedSurface::edges_
protected

Definition at line 269 of file solventExcludedSurface.h.

◆ number_of_contact_faces_

Position BALL::SolventExcludedSurface::number_of_contact_faces_
protected

Definition at line 278 of file solventExcludedSurface.h.

◆ number_of_edges_

Position BALL::SolventExcludedSurface::number_of_edges_
protected

Definition at line 266 of file solventExcludedSurface.h.

◆ number_of_singular_edges_

Position BALL::SolventExcludedSurface::number_of_singular_edges_
protected

Definition at line 272 of file solventExcludedSurface.h.

◆ number_of_spheric_faces_

Position BALL::SolventExcludedSurface::number_of_spheric_faces_
protected

Definition at line 290 of file solventExcludedSurface.h.

◆ number_of_toric_faces_

Position BALL::SolventExcludedSurface::number_of_toric_faces_
protected

Definition at line 284 of file solventExcludedSurface.h.

◆ number_of_vertices_

Position BALL::SolventExcludedSurface::number_of_vertices_
protected

Definition at line 260 of file solventExcludedSurface.h.

◆ reduced_surface_

ReducedSurface* BALL::SolventExcludedSurface::reduced_surface_
protected

Definition at line 296 of file solventExcludedSurface.h.

◆ singular_edges_

::std::list<SESEdge*> BALL::SolventExcludedSurface::singular_edges_
protected

Definition at line 275 of file solventExcludedSurface.h.

◆ spheric_faces_

::std::vector<SESFace*> BALL::SolventExcludedSurface::spheric_faces_
protected

Definition at line 293 of file solventExcludedSurface.h.

◆ toric_faces_

::std::vector<SESFace*> BALL::SolventExcludedSurface::toric_faces_
protected

Definition at line 287 of file solventExcludedSurface.h.

◆ vertices_

::std::vector<SESVertex*> BALL::SolventExcludedSurface::vertices_
protected

Definition at line 263 of file solventExcludedSurface.h.