#include <BALL/QSAR/surfaceDescriptors.h>

Inheritance diagram for BALL::PositivePolarVdWSurface:

Public Member Functions
Constructors and Destructors
	PositivePolarVdWSurface ()

	PositivePolarVdWSurface (const PositivePolarVdWSurface &pps)

virtual	~PositivePolarVdWSurface ()

Assignment
PositivePolarVdWSurface &	operator= (const PositivePolarVdWSurface &pps)

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 partial charge of the atom is positive and the atom is a polar atom.

Definition at line 94 of file surfaceDescriptors.h.

Constructor & Destructor Documentation

◆ PositivePolarVdWSurface() [1/2]

BALL::PositivePolarVdWSurface::PositivePolarVdWSurface ( )

Default constructor

◆ PositivePolarVdWSurface() [2/2]

BALL::PositivePolarVdWSurface::PositivePolarVdWSurface ( const PositivePolarVdWSurface & pps )

Copy constructor

◆ ~PositivePolarVdWSurface()

virtual BALL::PositivePolarVdWSurface::~PositivePolarVdWSurface ( )

virtual

Desctructor

Member Function Documentation

◆ operator=()

PositivePolarVdWSurface& BALL::PositivePolarVdWSurface::operator= ( const PositivePolarVdWSurface & pps )

Assignment operator

Public Member Functions