BALL  1.4.1
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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
virtual ConnectivityBaseoperator= (const ConnectivityBase &cb)

Protected Member Functions

Predicates
bool isValid_ (AtomContainer &ac)

Accessors

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

Detailed Description

Generic QSAR molecular connectivity descriptors class \

Definition at line 25 of file connectivityBase.h.


Constructor & Destructor Documentation

Default constructor

Copy constructor

Named constructor

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

Named unity constructor

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.

virtual ConnectivityBase& BALL::ConnectivityBase::operator= ( const ConnectivityBase cb) [virtual]

Assignment operator

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