BALL  1.4.1
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BALL::RelHydrophobicVdWSurface Class Reference

#include <BALL/QSAR/surfaceDescriptors.h>

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

List of all members.

Public Member Functions

 RelHydrophobicVdWSurface ()
 RelHydrophobicVdWSurface (const RelHydrophobicVdWSurface &rhs)
virtual ~RelHydrophobicVdWSurface ()
Assignment
RelHydrophobicVdWSurfaceoperator= (const RelHydrophobicVdWSurface &rhs)
Accessors
double compute (AtomContainer &ac)

Detailed Description

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

Definition at line 419 of file surfaceDescriptors.h.


Constructor & Destructor Documentation

Constructors and Desctructors Default constructor

Copy Constructor

Destructor


Member Function Documentation

Reimplemented from BALL::Descriptor.

RelHydrophobicVdWSurface& BALL::RelHydrophobicVdWSurface::operator= ( const RelHydrophobicVdWSurface rhs)

Assignment operator

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