RSComputer Class Reference
[Molecular Surface Computation]

Generic RSComputer Class. More...

#include <reducedSurface.h>

List of all members.

Public Types
Enums
enum	ProbeStatus { STATUS_OK = 0, STATUS_NOT_OK = 1, STATUS_NOT_TESTED = 2 }
	status of the probe positions of three atoms: 0 ok 1 not ok 2 not tested
enum	AtomStatus { STATUS_ON_SURFACE = 0, STATUS_INSIDE = 1, STATUS_UNKNOWN = 2 }
	status of an atom 0 on surface 1 inside 2 outside
Public Member Functions
Constructors and Destructors
	RSComputer () throw ()
	Default constructor.
	RSComputer (ReducedSurface *rs) throw ()
	Detiled constructor.
virtual	~RSComputer () throw ()
	Destructor.
Accessors
void	run () throw (Exception::GeneralException, Exception::DivisionByZero, Exception::IndexOverflow)
	Compute the reduced surface.
Protected Attributes
ReducedSurface *	rs_
std::vector< std::list< Index > >	neighbours_
std::vector< AtomStatus >	atom_status_
HashMap< Position, HashMap< Position, std::list< Index > > >	neighbours_of_two_
HashMap< Position, HashMap< Position, HashMap< Position, ProbePosition * > > >	probe_positions_
HashSet< RSVertex * >	new_vertices_
HashSet< RSFace * >	new_faces_
std::vector< std::list< RSVertex * > >	vertices_

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Detailed Description

Generic RSComputer Class.

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Constructor & Destructor Documentation

RSComputer::RSComputer (   )  throw ()

Default constructor. All components are initialized to (T)0 or NULL, respectivly.

RSComputer::RSComputer (  ReducedSurface *  rs  )  throw ()

Detiled constructor.

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

Destructor.