Inheritance diagram for BALL::SimpleBase:

Public Member Functions
Constructors and Destructors
	SimpleBase ()

	SimpleBase (const SimpleBase &sb)

	SimpleBase (const String &name)

	SimpleBase (const String &name, const String &unit)

virtual	~SimpleBase ()

Assignment
virtual SimpleBase &	operator= (const SimpleBase &sb)

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 ()

Accessors
void	computeAllDescriptors (AtomContainer &ac)

void	setDataFolder (const char *folder)

void	calculate_ (AtomContainer &ac)

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

Predicates

Detailed Description

QSAR molecular simple descriptors base class, this class implements some methods to calculate simple descriptors. \

Definition at line 20 of file simpleBase.h.

Constructor & Destructor Documentation

BALL::SimpleBase::SimpleBase ( )

Default constructor

BALL::SimpleBase::SimpleBase ( const SimpleBase & sb )

Copy constructor

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

Named constructor

Named unit constructor

virtual BALL::SimpleBase::~SimpleBase ( )

virtual

Destructor

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

protectedvirtual

Reimplemented from BALL::Descriptor.

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

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

protectedvirtual

Reimplemented from BALL::Descriptor.

virtual SimpleBase& BALL::SimpleBase::operator= ( const SimpleBase & sb )

virtual

Assignment operator

void BALL::SimpleBase::setDataFolder ( const char * folder )

allows to set the data-folder without using BALL_DATA_PATH enviroment variable, which is useful for standalone applications