Inheritance diagram for BALL::RelNumberOfRotatableBonds:

Public Member Functions
Constructors and Destructors
	RelNumberOfRotatableBonds ()

	RelNumberOfRotatableBonds (const RelNumberOfRotatableBonds &rnrb)

virtual	~RelNumberOfRotatableBonds ()

Assignment
RelNumberOfRotatableBonds &	operator= (const RelNumberOfRotatableBonds &rnrb)

Accessors
double	compute (AtomContainer &ac)

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

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
bool	isValid_ (AtomContainer &ac)

void	calculate_ (AtomContainer &ac)

Predicates

Detailed Description

This descriptor returns the fraction of rotatble bonds. It is calculated by deviding the number of rotatable bonds by the number of bonds

Definition at line 967 of file simpleDescriptors.h.

Constructor & Destructor Documentation

BALL::RelNumberOfRotatableBonds::RelNumberOfRotatableBonds ( )

Default constructor

BALL::RelNumberOfRotatableBonds::RelNumberOfRotatableBonds ( const RelNumberOfRotatableBonds & rnrb )

Copy constructor

virtual BALL::RelNumberOfRotatableBonds::~RelNumberOfRotatableBonds ( )

virtual

Destructor

double BALL::RelNumberOfRotatableBonds::compute ( AtomContainer & ac )

virtual

Reimplemented from BALL::Descriptor.

RelNumberOfRotatableBonds& BALL::RelNumberOfRotatableBonds::operator= ( const RelNumberOfRotatableBonds & rnrb )

Assignment operator