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NegativeVdWSurface Class Reference

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

#include <surfaceDescriptors.h>

Inheritance diagram for NegativeVdWSurface:

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

Public Member Functions

Constructors and Destructors
 NegativeVdWSurface ()
 Default constructor.
 NegativeVdWSurface (const NegativeVdWSurface &ns)
 Copy constructor.
virtual ~NegativeVdWSurface ()
 Destructor.
Assignment
NegativeVdWSurface & operator= (const NegativeVdWSurface &ns)
 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 negative partial charge.