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SurfaceBase Class Reference

Generic QSAR molecular surface descriptors class \. More...

#include <surfaceBase.h>

Inheritance diagram for SurfaceBase:

Descriptor UnaryProcessor< AtomContainer > UnaryFunctor< AtomContainer, Processor::Result > Density HydrophobicVdWSurface NegativePolarVdWSurface NegativeVdWSurface PolarVdWSurface PositivePolarVdWSurface PositiveVdWSurface RelHydrophobicVdWSurface RelNegativePolarVdWSurface RelNegativeVdWSurface RelPolarVdWSurface RelPositivePolarVdWSurface RelPositiveVdWSurface VdWSurface VdWVolume List of all members.

Public Member Functions

Constructors and Destructors
 SurfaceBase ()
 Default constructor.
 SurfaceBase (const SurfaceBase &sb)
 Copy constructor.
 SurfaceBase (const String &name)
 Named constructor.
 SurfaceBase (const String &name, const String &unit)
 Named unity constructor.
virtual ~SurfaceBase ()
 Destructor.
Assignment
virtual SurfaceBase & operator= (const SurfaceBase &sb)
 Assignment operator.

Protected Member Functions

Predicates
bool isValid_ (AtomContainer &ac)
Accessors
void calculate_ (AtomContainer &ac)

Detailed Description

Generic QSAR molecular surface descriptors class \.