Inheritance diagram for BALL::BondPolarizabilities:

Public Member Functions
Constructors and Destructors
	BondPolarizabilities ()
	BondPolarizabilities (const BondPolarizabilities &bp)
virtual	~BondPolarizabilities ()
Assignment
BondPolarizabilities &	operator= (const BondPolarizabilities &bp)
Public Member Functions inherited from BALL::SimpleBase
	SimpleBase ()
	SimpleBase (const SimpleBase &sb)
	SimpleBase (const String &name)
	SimpleBase (const String &name, const String &unit)
virtual	~SimpleBase ()
virtual SimpleBase &	operator= (const SimpleBase &sb)
void	computeAllDescriptors (AtomContainer &ac)
void	setDataFolder (const char *folder)
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 ()

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
Protected Member Functions inherited from BALL::SimpleBase
void	calculate_ (AtomContainer &ac)
bool	isValid_ (AtomContainer &ac)
Predicates

Detailed Description

This descriptor is calculated by adding up the differences in atomic polarizabilities of the both participating atoms through all bonds.

Definition at line 1290 of file simpleDescriptors.h.

Constructor & Destructor Documentation

BALL::BondPolarizabilities::BondPolarizabilities ( )

Default constructor

BALL::BondPolarizabilities::BondPolarizabilities ( const BondPolarizabilities & bp )

Copy constructor

virtual BALL::BondPolarizabilities::~BondPolarizabilities ( )

virtual

Destructor

BondPolarizabilities& BALL::BondPolarizabilities::operator= ( const BondPolarizabilities & bp )

Assignment operator