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VdWSurface Class Reference

This descriptor calculates the van der Waals surface area of the molecule. More...

#include <surfaceDescriptors.h>

Inheritance diagram for VdWSurface:

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

Public Member Functions

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

Detailed Description

This descriptor calculates the van der Waals surface area of the molecule.