BALL::SolventExcludedSurface Class Reference
[Molecular Surface Computation]

#include <BALL/STRUCTURE/solventExcludedSurface.h>

List of all members.

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 () throw (Exception::GeneralException)
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_
ReducedSurface *	reduced_surface_
Private Member Functions
void	splitSphericFace (Position i)
void	deleteSmallToricFace (SESFace *face)
void	deleteSmallSingularToricFace (SESFace *face)
bool	cleanToricFace (SESFace *face, const double &sqrt_density)
bool	cleanSingularToricFace (SESFace *face, const double &sqrt_density)
void	cleanVertices ()
void	cleanEdges ()
void	cleanContactFaces ()
void	cleanToricFaces ()
void	cleanSphericFaces ()
Friends
Class friends
class SESComputer class SESSingularityCleaner class TriangulatedSES class SESTriangulator
class	SESComputer
class	SESSingularityCleaner
class	TriangulatedSES
class	SESTriangulator

---

Detailed Description

Generic SolventExcludedSurface Class.

---

Member Typedef Documentation

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

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

typedef std::list<SESEdge*>::const_iterator BALL::SolventExcludedSurface::ConstSingularEdgeIterator

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

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

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

typedef std::vector<SESFace*>::iterator BALL::SolventExcludedSurface::ContactFaceIterator

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

typedef std::list<SESEdge*>::iterator BALL::SolventExcludedSurface::SingularEdgeIterator

typedef std::vector<SESFace*>::iterator BALL::SolventExcludedSurface::SphericFaceIterator

typedef std::vector<SESFace*>::iterator BALL::SolventExcludedSurface::ToricFaceIterator

typedef std::vector<SESVertex*>::iterator BALL::SolventExcludedSurface::VertexIterator

---

Constructor & Destructor Documentation

BALL::SolventExcludedSurface::SolventExcludedSurface

(

)

Default constructor. This method creates a new SolventExcludedSurface object.

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

Copy constructor. Create a new SolventExcludedSurface object from another.

Parameters:

	ses	the SolventExcludedSurface object to be copied
	bool	ignored - just for interface consistency

BALL::SolventExcludedSurface::SolventExcludedSurface

(

ReducedSurface *

reduced_surface

)

Detailed constructor

virtual BALL::SolventExcludedSurface::~SolventExcludedSurface

(

)

[virtual]

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

---

Member Function Documentation

ConstContactFaceIterator BALL::SolventExcludedSurface::beginContactFace

(

)

const

ContactFaceIterator BALL::SolventExcludedSurface::beginContactFace

(

)

ConstEdgeIterator BALL::SolventExcludedSurface::beginEdge

(

)

const

EdgeIterator BALL::SolventExcludedSurface::beginEdge

(

)

ConstSingularEdgeIterator BALL::SolventExcludedSurface::beginSingularEdge

(

)

const

SingularEdgeIterator BALL::SolventExcludedSurface::beginSingularEdge

(

)

ConstSphericFaceIterator BALL::SolventExcludedSurface::beginSphericFace

(

)

const

SphericFaceIterator BALL::SolventExcludedSurface::beginSphericFace

(

)

ConstToricFaceIterator BALL::SolventExcludedSurface::beginToricFace

(

)

const

ToricFaceIterator BALL::SolventExcludedSurface::beginToricFace

(

)

ConstVertexIterator BALL::SolventExcludedSurface::beginVertex

(

)

const

VertexIterator BALL::SolventExcludedSurface::beginVertex

(

)

bool BALL::SolventExcludedSurface::check

(

)

void BALL::SolventExcludedSurface::clean

(

const double &

density

)

void BALL::SolventExcludedSurface::cleanContactFaces

(

)

[private]

void BALL::SolventExcludedSurface::cleanEdges

(

)

[private]

bool BALL::SolventExcludedSurface::cleanSingularToricFace	(	SESFace *	face,
		const double &	sqrt_density
	)			[private]

void BALL::SolventExcludedSurface::cleanSphericFaces

(

)

[private]

bool BALL::SolventExcludedSurface::cleanToricFace	(	SESFace *	face,
		const double &	sqrt_density
	)			[private]

void BALL::SolventExcludedSurface::cleanToricFaces

(

)

[private]

void BALL::SolventExcludedSurface::cleanVertices

(

)

[private]

void BALL::SolventExcludedSurface::clear

(

)

void BALL::SolventExcludedSurface::compute

(

)

throw (Exception::GeneralException)

Computes the solvent excluded surface from a ReducedSurface object

void BALL::SolventExcludedSurface::deleteSmallSingularToricFace

(

SESFace *

face

)

[private]

void BALL::SolventExcludedSurface::deleteSmallToricFace

(

SESFace *

face

)

[private]

ConstContactFaceIterator BALL::SolventExcludedSurface::endContactFace

(

)

const

ContactFaceIterator BALL::SolventExcludedSurface::endContactFace

(

)

ConstEdgeIterator BALL::SolventExcludedSurface::endEdge

(

)

const

EdgeIterator BALL::SolventExcludedSurface::endEdge

(

)

ConstSingularEdgeIterator BALL::SolventExcludedSurface::endSingularEdge

(

)

const

SingularEdgeIterator BALL::SolventExcludedSurface::endSingularEdge

(

)

ConstSphericFaceIterator BALL::SolventExcludedSurface::endSphericFace

(

)

const

SphericFaceIterator BALL::SolventExcludedSurface::endSphericFace

(

)

ConstToricFaceIterator BALL::SolventExcludedSurface::endToricFace

(

)

const

ToricFaceIterator BALL::SolventExcludedSurface::endToricFace

(

)

ConstVertexIterator BALL::SolventExcludedSurface::endVertex

(

)

const

VertexIterator BALL::SolventExcludedSurface::endVertex

(

)

void BALL::SolventExcludedSurface::splitSphericFace

(

Position

i

)

[private]

void BALL::SolventExcludedSurface::splitSphericFaces

(

)

---

Friends And Related Function Documentation

friend class SESComputer [friend]

friend class SESSingularityCleaner [friend]

friend class SESTriangulator [friend]

friend class TriangulatedSES [friend]

---

Member Data Documentation

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

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

Position BALL::SolventExcludedSurface::number_of_contact_faces_ [protected]

Position BALL::SolventExcludedSurface::number_of_edges_ [protected]

Position BALL::SolventExcludedSurface::number_of_singular_edges_ [protected]

Position BALL::SolventExcludedSurface::number_of_spheric_faces_ [protected]

Position BALL::SolventExcludedSurface::number_of_toric_faces_ [protected]

Position BALL::SolventExcludedSurface::number_of_vertices_ [protected]

ReducedSurface* BALL::SolventExcludedSurface::reduced_surface_ [protected]

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

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

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

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