BALL::RelPolarVdWSurface Class Reference

#include <BALL/QSAR/surfaceDescriptors.h>

Inheritance diagram for BALL::RelPolarVdWSurface:

List of all members.

Public Member Functions
Constructors and Destructors
	RelPolarVdWSurface ()
	RelPolarVdWSurface (const RelPolarVdWSurface &rps)
virtual	~RelPolarVdWSurface ()
Assignment
RelPolarVdWSurface &	operator= (const RelPolarVdWSurface &rps)
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 polar. It is calculated by deviding the polar van der Waals surface by the van der Waals surface of the molecule.

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Constructor & Destructor Documentation

BALL::RelPolarVdWSurface::RelPolarVdWSurface

(

)

Default Constructor

BALL::RelPolarVdWSurface::RelPolarVdWSurface

(

const RelPolarVdWSurface &

rps

)

Copy constructor

virtual BALL::RelPolarVdWSurface::~RelPolarVdWSurface

(

)

[virtual]

Destructor

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Member Function Documentation

double BALL::RelPolarVdWSurface::compute

(

AtomContainer &

ac

)

[virtual]

Reimplemented from BALL::Descriptor.

RelPolarVdWSurface& BALL::RelPolarVdWSurface::operator=

(

const RelPolarVdWSurface &

rps

)

Assignment operator