BALL  1.4.1
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BALL::RelPolarVdWSurface Class Reference

#include <BALL/QSAR/surfaceDescriptors.h>

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

List of all members.

Public Member Functions

Constructors and Destructors
 RelPolarVdWSurface ()
 RelPolarVdWSurface (const RelPolarVdWSurface &rps)
virtual ~RelPolarVdWSurface ()
Assignment
RelPolarVdWSurfaceoperator= (const RelPolarVdWSurface &rps)
Accessors
double compute (AtomContainer &ac)

Detailed Description

This descriptor returns the fraction of the atomic SAS van der Waals surface, where the atoms are polar. It is calculated by deviding the polar van der Waals surface by the van der Waals surface of the molecule.

Definition at line 463 of file surfaceDescriptors.h.


Constructor & Destructor Documentation

Default Constructor

Copy constructor

Destructor


Member Function Documentation

Reimplemented from BALL::Descriptor.

RelPolarVdWSurface& BALL::RelPolarVdWSurface::operator= ( const RelPolarVdWSurface rps)

Assignment operator

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