BALL::ConnectivityBase Class Reference

#include <BALL/QSAR/connectivityBase.h>

Inheritance diagram for BALL::ConnectivityBase:

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)
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 ()
Descriptor &	operator= (const Descriptor &descriptor)
Processor::Result	operator() (AtomContainer &ac)
const String &	getName () const
void	setName (const String &name)
void	setUnit (const String &name)
const String &	getUnit () const
virtual double	compute (AtomContainer &ac)
Public Member Functions inherited from BALL::UnaryProcessor< AtomContainer >
	UnaryProcessor ()
	UnaryProcessor (const UnaryProcessor &)
virtual	~UnaryProcessor ()
virtual bool	start ()
virtual bool	finish ()

Protected Member Functions
Predicates
bool	isValid_ (AtomContainer &ac)
Predicates

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

Additional Inherited Members
Public Types inherited from BALL::UnaryFunctor< AtomContainer, Processor::Result >
typedef Processor::Result	result_type
typedef AtomContainer	argument_type
typedef AtomContainer &	argument_reference
typedef const AtomContainer &	const_argument_reference
typedef AtomContainer *	argument_pointer
typedef const AtomContainer *	const_argument_pointer

Detailed Description

Generic QSAR molecular connectivity descriptors class \

Definition at line 25 of file connectivityBase.h.

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 )

protectedvirtual

Reimplemented from BALL::Descriptor.

void BALL::ConnectivityBase::computeAllDescriptors

(

AtomContainer &

ac

)

bool BALL::ConnectivityBase::isValid_ ( AtomContainer &  ac )

protectedvirtual

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