SolventExcludedSurface Class Reference
[Molecular Surface Computation]

Generic SolventExcludedSurface Class. More...

#include <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 () throw ()
	Default constructor.
	SolventExcludedSurface (const SolventExcludedSurface &ses, bool=false) throw ()
	Copy constructor.
	SolventExcludedSurface (ReducedSurface *reduced_surface) throw ()
	Detailed constructor.
virtual	~SolventExcludedSurface () throw ()
	Destructor.
Accessors
void	clear ()
void	clean (const double &density)
void	compute () throw (Exception::GeneralException)
	Computes the solvent excluded surface from a ReducedSurface object.
void	splitSphericFaces () throw ()
bool	check () throw ()
External Iterators
VertexIterator	beginVertex () throw ()
ConstVertexIterator	beginVertex () const throw ()
VertexIterator	endVertex () throw ()
ConstVertexIterator	endVertex () const throw ()
EdgeIterator	beginEdge () throw ()
ConstEdgeIterator	beginEdge () const throw ()
EdgeIterator	endEdge () throw ()
ConstEdgeIterator	endEdge () const throw ()
SingularEdgeIterator	beginSingularEdge () throw ()
ConstSingularEdgeIterator	beginSingularEdge () const throw ()
SingularEdgeIterator	endSingularEdge () throw ()
ConstSingularEdgeIterator	endSingularEdge () const throw ()
ContactFaceIterator	beginContactFace () throw ()
ConstContactFaceIterator	beginContactFace () const throw ()
ContactFaceIterator	endContactFace () throw ()
ConstContactFaceIterator	endContactFace () const throw ()
SphericFaceIterator	beginSphericFace () throw ()
ConstSphericFaceIterator	beginSphericFace () const throw ()
SphericFaceIterator	endSphericFace () throw ()
ConstSphericFaceIterator	endSphericFace () const throw ()
ToricFaceIterator	beginToricFace () throw ()
ConstToricFaceIterator	beginToricFace () const throw ()
ToricFaceIterator	endToricFace () throw ()
ConstToricFaceIterator	endToricFace () const throw ()
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_
Friends
Class friends
class SESComputer - class SESSingularityCleaner - class TriangulatedSES - class SESTriangulator
class	SESComputer
class	SESSingularityCleaner
class	TriangulatedSES
class	SESTriangulator

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Detailed Description

Generic SolventExcludedSurface Class.

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Constructor & Destructor Documentation

SolventExcludedSurface::SolventExcludedSurface (   )  throw ()

Default constructor. This method creates a new SolventExcludedSurface object.

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

Copy constructor. Create a new SolventExcludedSurface object from another. Parameters: ses  the SolventExcludedSurface object to be copied bool  ignored - just for interface consistency

virtual SolventExcludedSurface::~SolventExcludedSurface (   )  throw () [virtual]

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