BALL  1.4.1
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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

List of all members.

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)

Protected Member Functions

Predicates
bool isValid_ (AtomContainer &ac)

Accessors

void computeAllDescriptors (AtomContainer &ac)
void calculate_ (AtomContainer &ac)

Detailed Description

Generic QSAR molecular surface descriptors class \

Definition at line 18 of file surfaceBase.h.


Constructor & Destructor Documentation

Default constructor

Copy constructor

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) [protected, virtual]

Reimplemented from BALL::Descriptor.

bool BALL::SurfaceBase::isValid_ ( AtomContainer ac) [protected, virtual]

Reimplemented from BALL::Descriptor.

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

Assignment operator

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