Inheritance diagram for BALL::VdWSurface:

Public Member Functions
Constructors and Destructors
	VdWSurface ()

	VdWSurface (const VdWSurface &s)

virtual	~VdWSurface ()

Assignment
VdWSurface &	operator= (const VdWSurface &s)

Public Member Functions inherited from BALL::SurfaceBase
	SurfaceBase ()

	SurfaceBase (const SurfaceBase &sb)

	SurfaceBase (const String &name)

	SurfaceBase (const String &name, const String &unit)

virtual	~SurfaceBase ()

SurfaceBase &	operator= (const SurfaceBase &sb)

void	computeAllDescriptors (AtomContainer &ac)

Public Member Functions inherited from BALL::Descriptor
	Descriptor ()

	Descriptor (const Descriptor &descriptor)

	Descriptor (const String &name)

	Descriptor (const String &name, const String &unit)

virtual	~Descriptor ()

Descriptor &	operator= (const Descriptor &descriptor)

Processor::Result	operator() (AtomContainer &ac)

const String &	getName () const

void	setName (const String &name)

void	setUnit (const String &name)

const String &	getUnit () const

virtual double	compute (AtomContainer &ac)

Public Member Functions inherited from BALL::UnaryProcessor< AtomContainer >
	UnaryProcessor ()

	UnaryProcessor (const UnaryProcessor &)

virtual	~UnaryProcessor ()

virtual bool	start ()

virtual bool	finish ()

Additional Inherited Members
Public Types inherited from BALL::UnaryFunctor< AtomContainer, Processor::Result >
typedef Processor::Result	result_type

typedef AtomContainer	argument_type

typedef AtomContainer &	argument_reference

typedef const AtomContainer &	const_argument_reference

typedef AtomContainer *	argument_pointer

typedef const AtomContainer *	const_argument_pointer

Protected Member Functions inherited from BALL::SurfaceBase
bool	isValid_ (AtomContainer &ac)

void	calculate_ (AtomContainer &ac)

Predicates

Detailed Description

This descriptor calculates the van der Waals surface area of the molecule.

Definition at line 575 of file surfaceDescriptors.h.

Constructor & Destructor Documentation

BALL::VdWSurface::VdWSurface ( )

Default constructor

BALL::VdWSurface::VdWSurface ( const VdWSurface & s )

Copy constructor

virtual BALL::VdWSurface::~VdWSurface ( )

virtual

Destructor

VdWSurface& BALL::VdWSurface::operator= ( const VdWSurface & s )

Assignment operator