#include <BALL/QSAR/partialChargeDescriptors.h>

Inheritance diagram for BALL::RelPositivePartialCharge:

Public Member Functions
Constructors and Destructors
	RelPositivePartialCharge ()
	RelPositivePartialCharge (const RelPositivePartialCharge &rppc)
virtual	~RelPositivePartialCharge ()
Assignment
RelPositivePartialCharge &	operator= (const RelPositivePartialCharge &rppc)
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 returns the fraction of positive partial charges, which is calculated by deviding the biggest partial charges value by the sum of positive partial charges.

Definition at line 93 of file partialChargeDescriptors.h.

Constructor & Destructor Documentation

◆ RelPositivePartialCharge() [1/2]

BALL::RelPositivePartialCharge::RelPositivePartialCharge ( )

Default constructor

◆ RelPositivePartialCharge() [2/2]

BALL::RelPositivePartialCharge::RelPositivePartialCharge ( const RelPositivePartialCharge & rppc )

Copy constructor

◆ ~RelPositivePartialCharge()

virtual BALL::RelPositivePartialCharge::~RelPositivePartialCharge ( )

virtual

Destructor

Member Function Documentation

◆ operator=()

RelPositivePartialCharge & BALL::RelPositivePartialCharge::operator= ( const RelPositivePartialCharge & rppc )

Assignment operator

Public Member Functions