BALL  1.4.1
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BALL::PositivePolarVdWSurface Class Reference

#include <BALL/QSAR/surfaceDescriptors.h>

Inheritance diagram for BALL::PositivePolarVdWSurface:
BALL::SurfaceBase BALL::Descriptor BALL::UnaryProcessor< AtomContainer > BALL::UnaryFunctor< AtomContainer, Processor::Result >

List of all members.

Public Member Functions

Constructors and Destructors
 PositivePolarVdWSurface ()
 PositivePolarVdWSurface (const PositivePolarVdWSurface &pps)
virtual ~PositivePolarVdWSurface ()
Assignment
PositivePolarVdWSurfaceoperator= (const PositivePolarVdWSurface &pps)

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.

Definition at line 94 of file surfaceDescriptors.h.


Constructor & Destructor Documentation

Default constructor

Copy constructor

Desctructor


Member Function Documentation

PositivePolarVdWSurface& BALL::PositivePolarVdWSurface::operator= ( const PositivePolarVdWSurface pps)

Assignment operator

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