Inheritance diagram for BALL::TotalPositivePartialCharge:

Public Member Functions
Constructors and Destructors
	TotalPositivePartialCharge ()
	TotalPositivePartialCharge (const TotalPositivePartialCharge &tppc)
virtual	~TotalPositivePartialCharge ()
Assignment
TotalPositivePartialCharge &	operator= (const TotalPositivePartialCharge &tppc)
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< 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::PartialChargeBase
bool	isValid_ (AtomContainer &ac)
void	calculate_ (AtomContainer &ac)
String	data_folder_

Detailed Description

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

Definition at line 21 of file partialChargeDescriptors.h.

Constructor & Destructor Documentation

BALL::TotalPositivePartialCharge::TotalPositivePartialCharge ( )

Default constructor

BALL::TotalPositivePartialCharge::TotalPositivePartialCharge ( const TotalPositivePartialCharge & tppc )

Copy constructor

virtual BALL::TotalPositivePartialCharge::~TotalPositivePartialCharge ( )

virtual

Destructor

TotalPositivePartialCharge & BALL::TotalPositivePartialCharge::operator= ( const TotalPositivePartialCharge & tppc )

Assignment operator