BALL  1.4.1
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List of all members
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 >

Public Member Functions

Constructors and Destructors
 ZagrebIndex ()
 ZagrebIndex (const ZagrebIndex &zi)
virtual ~ZagrebIndex ()
Assignment
ZagrebIndexoperator= (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 ConnectivityBaseoperator= (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 ()
Descriptoroperator= (const Descriptor &descriptor)
Processor::Result operator() (AtomContainer &ac)
const StringgetName () const
void setName (const String &name)
void setUnit (const String &name)
const StringgetUnit () 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< AtomContainer, Processor::Result >
typedef Processor::Result result_type
typedef AtomContainer argument_type
typedef AtomContainerargument_reference
typedef const AtomContainerconst_argument_reference
typedef AtomContainerargument_pointer
typedef const AtomContainerconst_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: $ d_i^2$, over all heavy atoms

Definition at line 20 of file connectivityDescriptors.h.

Constructor & Destructor Documentation

BALL::ZagrebIndex::ZagrebIndex ( )

Default constructor

BALL::ZagrebIndex::ZagrebIndex ( const ZagrebIndex zi)

Copy constructor

virtual BALL::ZagrebIndex::~ZagrebIndex ( )
virtual

Destructor

Member Function Documentation

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

Reimplemented from BALL::Descriptor.

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

Assignment operator