BALL  1.5.0
List of all members

#include <BALL/STRUCTURE/solventExcludedSurface.h>

Public Member Functions

Constructors and Destructors
 SESComputer ()
 
 SESComputer (SolventExcludedSurface *ses)
 
virtual ~SESComputer ()
 

Accessors

SolventExcludedSurfaceses_
 
HashGrid3< Indexvertex_grid_
 
void run ()
 

Detailed Description

Generic SESComputer Class. <>

Definition at line 317 of file solventExcludedSurface.h.

Constructor & Destructor Documentation

◆ SESComputer() [1/2]

BALL::SESComputer::SESComputer ( )

Default constructor. This method creates a new SESComputer object.

◆ SESComputer() [2/2]

BALL::SESComputer::SESComputer ( SolventExcludedSurface ses)

Detailed constructor

◆ ~SESComputer()

virtual BALL::SESComputer::~SESComputer ( )
virtual

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

Member Function Documentation

◆ run()

void BALL::SESComputer::run ( )

Computes the solvent excluded surface

Exceptions
BALL::Exception::GeneralException

Member Data Documentation

◆ ses_

SolventExcludedSurface* BALL::SESComputer::ses_
protected

Definition at line 444 of file solventExcludedSurface.h.

◆ vertex_grid_

HashGrid3<Index> BALL::SESComputer::vertex_grid_
protected

Definition at line 447 of file solventExcludedSurface.h.