BALL  1.4.1
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List of all members
BALL::SurfaceBase Class Reference

#include <BALL/QSAR/surfaceBase.h>

Inheritance diagram for BALL::SurfaceBase:
BALL::Descriptor BALL::UnaryProcessor< AtomContainer > BALL::UnaryFunctor< AtomContainer, Processor::Result > BALL::Density BALL::HydrophobicVdWSurface BALL::NegativePolarVdWSurface BALL::NegativeVdWSurface BALL::PolarVdWSurface BALL::PositivePolarVdWSurface BALL::PositiveVdWSurface BALL::RelHydrophobicVdWSurface BALL::RelNegativePolarVdWSurface BALL::RelNegativeVdWSurface BALL::RelPolarVdWSurface BALL::RelPositivePolarVdWSurface BALL::RelPositiveVdWSurface BALL::VdWSurface BALL::VdWVolume

Public Member Functions

Constructors and Destructors
 SurfaceBase ()
 SurfaceBase (const SurfaceBase &sb)
 SurfaceBase (const String &name)
 SurfaceBase (const String &name, const String &unit)
virtual ~SurfaceBase ()
Assignment
SurfaceBaseoperator= (const SurfaceBase &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 ()
Descriptoroperator= (const Descriptor &descriptor)
Processor::Result operator() (AtomContainer &ac)
const StringgetName () const
void setName (const String &name)
void setUnit (const String &name)
const StringgetUnit () 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)
Predicates

Accessors

void computeAllDescriptors (AtomContainer &ac)
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 AtomContainerargument_reference
typedef const AtomContainerconst_argument_reference
typedef AtomContainerargument_pointer
typedef const AtomContainerconst_argument_pointer

Detailed Description

Generic QSAR molecular surface descriptors class \

Definition at line 18 of file surfaceBase.h.

Constructor & Destructor Documentation

BALL::SurfaceBase::SurfaceBase ( )

Default constructor

BALL::SurfaceBase::SurfaceBase ( const SurfaceBase sb)

Copy constructor

BALL::SurfaceBase::SurfaceBase ( const String name)

Named constructor

BALL::SurfaceBase::SurfaceBase ( const String name,
const String unit 
)

Named unity constructor

virtual BALL::SurfaceBase::~SurfaceBase ( )
virtual

Destructor

Member Function Documentation

void BALL::SurfaceBase::calculate_ ( AtomContainer ac)
protectedvirtual

Reimplemented from BALL::Descriptor.

void BALL::SurfaceBase::computeAllDescriptors ( AtomContainer ac)
bool BALL::SurfaceBase::isValid_ ( AtomContainer ac)
protectedvirtual

Reimplemented from BALL::Descriptor.

SurfaceBase& BALL::SurfaceBase::operator= ( const SurfaceBase sb)

Assignment operator