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HydrophobicVdWSurface Class Reference

This descriptor calculates the sum of atomic SAS van der Waals surface areas of the molecule, of the hydrophobic atoms. More...

#include <surfaceDescriptors.h>

Inheritance diagram for HydrophobicVdWSurface:

SurfaceBase Descriptor UnaryProcessor< AtomContainer > UnaryFunctor< AtomContainer, Processor::Result > List of all members.

Public Member Functions

Constructors and Destructors
 HydrophobicVdWSurface ()
 Default constructor.
 HydrophobicVdWSurface (const HydrophobicVdWSurface &hs)
 Copy constructor.
virtual ~HydrophobicVdWSurface ()
 Destructor.
Assignment
HydrophobicVdWSurface & operator= (const HydrophobicVdWSurface &hs)
 Assignment operator.

Detailed Description

This descriptor calculates the sum of atomic SAS van der Waals surface areas of the molecule, of the hydrophobic atoms.