#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)

Accessors
void	computeAllDescriptors (AtomContainer &ac)
void	calculate_ (AtomContainer &ac)

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

Detailed Description

Generic QSAR molecular connectivity descriptors class \

Definition at line 25 of file connectivityBase.h.

Constructor & Destructor Documentation

◆ ConnectivityBase() [1/4]

BALL::ConnectivityBase::ConnectivityBase ( )

Default constructor

◆ ConnectivityBase() [2/4]

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

Copy constructor

◆ ConnectivityBase() [3/4]

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

Named constructor

◆ ConnectivityBase() [4/4]

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

Named unity constructor

◆ ~ConnectivityBase()

virtual BALL::ConnectivityBase::~ConnectivityBase ( )

virtual

Destructor

Member Function Documentation

◆ calculate_()

void BALL::ConnectivityBase::calculate_ ( AtomContainer & ac )

protectedvirtual

Reimplemented from BALL::Descriptor.

◆ computeAllDescriptors()

void BALL::ConnectivityBase::computeAllDescriptors ( AtomContainer & ac )

◆ isValid_()

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

protectedvirtual

Reimplemented from BALL::Descriptor.

◆ operator=()

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