Inheritance diagram for BALL::TotalNegativePartialCharge:

Public Member Functions
Constructors and Destructors
	TotalNegativePartialCharge ()

	TotalNegativePartialCharge (const TotalNegativePartialCharge &tnpc)

virtual	~TotalNegativePartialCharge ()

Assignment
TotalNegativePartialCharge &	operator= (const TotalNegativePartialCharge &tnpc)

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

	PartialChargeBase (const PartialChargeBase &pcb)

	PartialChargeBase (const String &name)

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

virtual	~PartialChargeBase ()

PartialChargeBase &	operator= (const PartialChargeBase &pcb)

void	computeAllDescriptors (AtomContainer &ac)

void	setDataFolder (const char *folder)

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::PartialChargeBase
bool	isValid_ (AtomContainer &ac)

void	calculate_ (AtomContainer &ac)

Predicates
Protected Attributes inherited from BALL::PartialChargeBase
String	data_folder_

Detailed Description

This descriptor adds up all negative partial charges over all atoms.

Definition at line 56 of file partialChargeDescriptors.h.

Constructor & Destructor Documentation

BALL::TotalNegativePartialCharge::TotalNegativePartialCharge ( )

Default constructor

BALL::TotalNegativePartialCharge::TotalNegativePartialCharge ( const TotalNegativePartialCharge & tnpc )

Copy constructor

virtual BALL::TotalNegativePartialCharge::~TotalNegativePartialCharge ( )

virtual

Destructor

TotalNegativePartialCharge& BALL::TotalNegativePartialCharge::operator= ( const TotalNegativePartialCharge & tnpc )

Assignment operator