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PolarVdWSurface Class Reference

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

#include <surfaceDescriptors.h>

Inheritance diagram for PolarVdWSurface:

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

Public Member Functions

Constructors and Destructors
 PolarVdWSurface ()
 Default Constructor.
 PolarVdWSurface (const PolarVdWSurface &ps)
 Copy constructor.
virtual ~PolarVdWSurface ()
 Destructor.
Assignment
PolarVdWSurface & operator= (const PolarVdWSurface &ps)
 Assignment operator.

Detailed Description

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