BALL::ConnectivityBase Class Reference

#include <BALL/QSAR/connectivityBase.h>

Inheritance diagram for BALL::ConnectivityBase:

[legend]

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 ConnectivityBase &	operator= (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)

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Detailed Description

Generic QSAR molecular connectivity descriptors class \

Definition at line 25 of file connectivityBase.h.

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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

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Member Function Documentation

void BALL::ConnectivityBase::calculate_

(

AtomContainer &

ac

)

[protected, virtual]

Reimplemented from BALL::Descriptor.

void BALL::ConnectivityBase::computeAllDescriptors

(

AtomContainer &

ac

)

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]