BALL  1.4.1
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BALL::ZagrebIndex Class Reference

#include <BALL/QSAR/connectivityDescriptors.h>

Inheritance diagram for BALL::ZagrebIndex:
BALL::ConnectivityBase BALL::Descriptor BALL::UnaryProcessor< AtomContainer > BALL::UnaryFunctor< AtomContainer, Processor::Result >

List of all members.

Public Member Functions

Constructors and Destructors
 ZagrebIndex ()
 ZagrebIndex (const ZagrebIndex &zi)
virtual ~ZagrebIndex ()
Assignment
ZagrebIndexoperator= (const ZagrebIndex &zi)
Accessors
double compute (AtomContainer &ac)

Detailed Description

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

Definition at line 20 of file connectivityDescriptors.h.


Constructor & Destructor Documentation

Default constructor

Copy constructor

virtual BALL::ZagrebIndex::~ZagrebIndex ( ) [virtual]

Destructor


Member Function Documentation

Reimplemented from BALL::Descriptor.

ZagrebIndex& BALL::ZagrebIndex::operator= ( const ZagrebIndex zi)

Assignment operator

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