BALL  1.4.1
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Public Member Functions
BALL::PositiveVdWSurface Class Reference

#include <BALL/QSAR/surfaceDescriptors.h>

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

List of all members.

Public Member Functions

 BALL_CREATE (PositiveVdWSurface)
Constructors and Destructors
 PositiveVdWSurface ()
 PositiveVdWSurface (const PositiveVdWSurface &ps)
virtual ~PositiveVdWSurface ()
Assignment
PositiveVdWSurfaceoperator= (const PositiveVdWSurface &ps)

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.

Definition at line 21 of file surfaceDescriptors.h.


Constructor & Destructor Documentation

Default constructor

Copy constrcutor

Destructor


Member Function Documentation

PositiveVdWSurface& BALL::PositiveVdWSurface::operator= ( const PositiveVdWSurface ps)

Assignment operator

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