Inheritance diagram for BALL::PositiveVdWSurface:

Public Member Functions
	BALL_CREATE (PositiveVdWSurface)

Constructors and Destructors
	PositiveVdWSurface ()

	PositiveVdWSurface (const PositiveVdWSurface &ps)

virtual	~PositiveVdWSurface ()

Assignment
PositiveVdWSurface &	operator= (const PositiveVdWSurface &ps)

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< ArgumentType, ResultType >
typedef ResultType	result_type

typedef ArgumentType	argument_type

typedef ArgumentType &	argument_reference

typedef const ArgumentType &	const_argument_reference

typedef ArgumentType *	argument_pointer

typedef const ArgumentType *	const_argument_pointer

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

void	calculate_ (AtomContainer &ac)

Protected Member Functions inherited from BALL::Descriptor

Detailed Description

This descriptor calculates the sum of atomic SAS van der Waals surface areas of the molecule, where the atoms have a positive partial charge.

Definition at line 21 of file surfaceDescriptors.h.

Constructor & Destructor Documentation

BALL::PositiveVdWSurface::PositiveVdWSurface ( )

Default constructor

BALL::PositiveVdWSurface::PositiveVdWSurface ( const PositiveVdWSurface & ps )

Copy constrcutor

virtual BALL::PositiveVdWSurface::~PositiveVdWSurface ( )

virtual

Destructor

BALL::PositiveVdWSurface::BALL_CREATE ( PositiveVdWSurface )

PositiveVdWSurface& BALL::PositiveVdWSurface::operator= ( const PositiveVdWSurface & ps )

Assignment operator