BALL::RelHydrophobicVdWSurface Class Reference

#include <BALL/QSAR/surfaceDescriptors.h>

Inheritance diagram for BALL::RelHydrophobicVdWSurface:

List of all members.

Public Member Functions
	RelHydrophobicVdWSurface ()
	RelHydrophobicVdWSurface (const RelHydrophobicVdWSurface &rhs)
virtual	~RelHydrophobicVdWSurface ()
Assignment
RelHydrophobicVdWSurface &	operator= (const RelHydrophobicVdWSurface &rhs)
Accessors
double	compute (AtomContainer &ac)

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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.

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Constructor & Destructor Documentation

BALL::RelHydrophobicVdWSurface::RelHydrophobicVdWSurface

(

)

Constructors and Desctructors Default constructor

BALL::RelHydrophobicVdWSurface::RelHydrophobicVdWSurface

(

const RelHydrophobicVdWSurface &

rhs

)

Copy Constructor

virtual BALL::RelHydrophobicVdWSurface::~RelHydrophobicVdWSurface

(

)

[virtual]

Destructor

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Member Function Documentation

double BALL::RelHydrophobicVdWSurface::compute

(

AtomContainer &

ac

)

[virtual]

Reimplemented from BALL::Descriptor.

RelHydrophobicVdWSurface& BALL::RelHydrophobicVdWSurface::operator=

(

const RelHydrophobicVdWSurface &

rhs

)

Assignment operator