Inheritance diagram for BALL::NegativeVdWSurface:

Public Member Functions
Constructors and Destructors
	NegativeVdWSurface ()

	NegativeVdWSurface (const NegativeVdWSurface &ns)

virtual	~NegativeVdWSurface ()

Assignment
NegativeVdWSurface &	operator= (const NegativeVdWSurface &ns)

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 sum of atomic SAS van der Waals surface areas of the molecule, where the atoms have a negative partial charge.

Definition at line 57 of file surfaceDescriptors.h.

Constructor & Destructor Documentation

BALL::NegativeVdWSurface::NegativeVdWSurface ( )

Default constructor

BALL::NegativeVdWSurface::NegativeVdWSurface ( const NegativeVdWSurface & ns )

Copy constructor

virtual BALL::NegativeVdWSurface::~NegativeVdWSurface ( )

virtual

Destructor

NegativeVdWSurface& BALL::NegativeVdWSurface::operator= ( const NegativeVdWSurface & ns )

Assignment Operator