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PositiveVdWSurface Class Reference

This descriptor calculates the sum of atomic SAS van der Waals surface areas of the molecule, where the atoms have a positive partial charge. More...

#include <surfaceDescriptors.h>

Inheritance diagram for PositiveVdWSurface:

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

Public Member Functions

 BALL_CREATE (PositiveVdWSurface)
Constructors and Destructors
 PositiveVdWSurface ()
 Default constructor.
 PositiveVdWSurface (const PositiveVdWSurface &ps)
 Copy constrcutor.
virtual ~PositiveVdWSurface ()
 Destructor.
Assignment
PositiveVdWSurface & operator= (const PositiveVdWSurface &ps)
 Assignment operator.

Detailed Description

This descriptor calculates the sum of atomic SAS van der Waals surface areas of the molecule, where the atoms have a positive partial charge.