BALL::ZagrebIndex Class Reference

#include <BALL/QSAR/connectivityDescriptors.h>

Inheritance diagram for BALL::ZagrebIndex:

Public Member Functions
Constructors and Destructors
	ZagrebIndex ()
	ZagrebIndex (const ZagrebIndex &zi)
virtual	~ZagrebIndex ()
Assignment
ZagrebIndex &	operator= (const ZagrebIndex &zi)
Accessors
double	compute (AtomContainer &ac)
Public Member Functions inherited from BALL::ConnectivityBase
	ConnectivityBase ()
	ConnectivityBase (const ConnectivityBase &cb)
	ConnectivityBase (const String &name)
	ConnectivityBase (const String &name, const String &unit)
virtual	~ConnectivityBase ()
virtual ConnectivityBase &	operator= (const ConnectivityBase &cb)
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
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::ConnectivityBase
bool	isValid_ (AtomContainer &ac)
void	calculate_ (AtomContainer &ac)

Detailed Description

This descriptor returns the Zagreb Index, which is calculated as: $\sum_i d_i^2$, over all heavy atoms

Definition at line 20 of file connectivityDescriptors.h.

Constructor & Destructor Documentation

ZagrebIndex() [1/2]

BALL::ZagrebIndex::ZagrebIndex

(

)

Default constructor

ZagrebIndex() [2/2]

BALL::ZagrebIndex::ZagrebIndex

(

const ZagrebIndex &

zi

)

Copy constructor

~ZagrebIndex()

virtual BALL::ZagrebIndex::~ZagrebIndex ( )

virtual

Destructor

Member Function Documentation

compute()

double BALL::ZagrebIndex::compute ( AtomContainer & ac )

virtual

Reimplemented from BALL::Descriptor.

operator=()

ZagrebIndex & BALL::ZagrebIndex::operator=

(

const ZagrebIndex &

zi

)

Assignment operator