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NegativePolarVdWSurface Class Reference

This descriptor calculates the sum of atomic SAS van der Waals surface areas of the molecule, where the partial charge of the atom is negative and the atom is a polar atom. More...

#include <surfaceDescriptors.h>

Inheritance diagram for NegativePolarVdWSurface:

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

Public Member Functions

Constructors and Destructors
 NegativePolarVdWSurface ()
 Default constructor.
 NegativePolarVdWSurface (const NegativePolarVdWSurface &nps)
 Copy constructor.
virtual ~NegativePolarVdWSurface ()
 Destructor.
Assigment
NegativePolarVdWSurface & operator= (const NegativePolarVdWSurface &nps)
 Assignment operator.

Detailed Description

This descriptor calculates the sum of atomic SAS van der Waals surface areas of the molecule, where the partial charge of the atom is negative and the atom is a polar atom.