BALL::ConnectivityBase Class Reference

#include <BALL/QSAR/connectivityBase.h>

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

List of all members.


Public Member Functions

Constructors and Destructors
 ConnectivityBase ()
 ConnectivityBase (const ConnectivityBase &cb)
 ConnectivityBase (const String &name)
 ConnectivityBase (const String &name, const String &unit)
virtual ~ConnectivityBase ()
Assignment
ConnectivityBaseoperator= (const ConnectivityBase &cb)

Protected Member Functions

Predicates
bool isValid_ (AtomContainer &ac)
Accessors
void calculate_ (AtomContainer &ac)

Private Member Functions

Accessors
void recursion_ (std::vector< double > &dists, const Atom *source, HashMap< const Atom *, Size > &index_map)

Detailed Description

Generic QSAR molecular connectivity descriptors class \


Constructor & Destructor Documentation

BALL::ConnectivityBase::ConnectivityBase (  ) 

Default constructor

BALL::ConnectivityBase::ConnectivityBase ( const ConnectivityBase cb  ) 

Copy constructor

BALL::ConnectivityBase::ConnectivityBase ( const String name  ) 

Named constructor

BALL::ConnectivityBase::ConnectivityBase ( const String name,
const String unit 
)

Named unity constructor

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

Destructor


Member Function Documentation

void BALL::ConnectivityBase::calculate_ ( AtomContainer ac  )  [protected, virtual]

Reimplemented from BALL::Descriptor.

bool BALL::ConnectivityBase::isValid_ ( AtomContainer ac  )  [protected, virtual]

Reimplemented from BALL::Descriptor.

ConnectivityBase& BALL::ConnectivityBase::operator= ( const ConnectivityBase cb  ) 

Assignment operator

void BALL::ConnectivityBase::recursion_ ( std::vector< double > &  dists,
const Atom source,
HashMap< const Atom *, Size > &  index_map 
) [private]