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PositivePolarVdWSurface 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 positive and the atom is a polar atom. More...

#include <surfaceDescriptors.h>

Inheritance diagram for PositivePolarVdWSurface:

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

Public Member Functions

Constructors and Destructors
 PositivePolarVdWSurface ()
 Default constructor.
 PositivePolarVdWSurface (const PositivePolarVdWSurface &pps)
 Copy constructor.
virtual ~PositivePolarVdWSurface ()
 Desctructor.
Assignment
PositivePolarVdWSurface & operator= (const PositivePolarVdWSurface &pps)
 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 positive and the atom is a polar atom.