BALL::RelNumberOfRotatableSingleBonds Class Reference

#include <BALL/QSAR/simpleDescriptors.h>

Inheritance diagram for BALL::RelNumberOfRotatableSingleBonds:

Public Member Functions
Constructors and Destructors
	RelNumberOfRotatableSingleBonds ()
	RelNumberOfRotatableSingleBonds (const RelNumberOfRotatableSingleBonds &rnrsb)
virtual	~RelNumberOfRotatableSingleBonds ()
Assignment
RelNumberOfRotatableSingleBonds &	operator= (const RelNumberOfRotatableSingleBonds &rnrsb)
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 AtomContainer *	argument_pointer
Public Attributes inherited from BALL::UnaryFunctor< AtomContainer, Processor::Result >
const typedef AtomContainer &	const_argument_reference
const typedef AtomContainer *	const_argument_pointer
Protected Member Functions inherited from BALL::SimpleBase
bool	isValid_ (AtomContainer &ac)
void	calculate_ (AtomContainer &ac)
Protected Member Functions inherited from BALL::Descriptor

Detailed Description

This descriptor counts the fraction of the rotatble single bonds. This is the number of rotatble single bonds devided by the number of single bonds.

Definition at line 820 of file simpleDescriptors.h.

Constructor & Destructor Documentation

RelNumberOfRotatableSingleBonds() [1/2]

BALL::RelNumberOfRotatableSingleBonds::RelNumberOfRotatableSingleBonds

(

)

Default constructor

RelNumberOfRotatableSingleBonds() [2/2]

BALL::RelNumberOfRotatableSingleBonds::RelNumberOfRotatableSingleBonds

(

const RelNumberOfRotatableSingleBonds &

rnrsb

)

Copy constructor

~RelNumberOfRotatableSingleBonds()

virtual BALL::RelNumberOfRotatableSingleBonds::~RelNumberOfRotatableSingleBonds ( )

virtual

Destructor

Member Function Documentation

compute()

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

virtual

Accessors

Reimplemented from BALL::Descriptor.

operator=()

RelNumberOfRotatableSingleBonds& BALL::RelNumberOfRotatableSingleBonds::operator=

(

const RelNumberOfRotatableSingleBonds &

rnrsb

)

Assignment operator