BALL::VertexAdjacencyEquality Class Reference

#include <BALL/QSAR/simpleDescriptors.h>

Inheritance diagram for BALL::VertexAdjacencyEquality:

[legend]

List of all members.

Public Member Functions
Constructors and Destructors
	VertexAdjacencyEquality ()
	VertexAdjacencyEquality (const VertexAdjacencyEquality &vae)
virtual	~VertexAdjacencyEquality ()
Assignment
VertexAdjacencyEquality &	operator= (const VertexAdjacencyEquality &vae)
Accessors
double	compute (AtomContainer &ac)

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Detailed Description

The vertex adjacency equality si calculateed using the formula: \(-(1-f) (1-f) - f f \), where $f$ is defined as: \( f = {(n^2 -2m)}{n^2}\), where $n$ is the number of heavy atoms and $m$ is the number of heavy bonds. If $f$ is not in $(0,1)$ then $0$ is returned.

Definition at line 1054 of file simpleDescriptors.h.

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Constructor & Destructor Documentation

BALL::VertexAdjacencyEquality::VertexAdjacencyEquality

(

)

Default constructor

BALL::VertexAdjacencyEquality::VertexAdjacencyEquality

(

const VertexAdjacencyEquality &

vae

)

Copy constructor

virtual BALL::VertexAdjacencyEquality::~VertexAdjacencyEquality

(

)

[virtual]

Destructor

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Member Function Documentation

double BALL::VertexAdjacencyEquality::compute

(

AtomContainer &

ac

)

[virtual]

Reimplemented from BALL::Descriptor.

VertexAdjacencyEquality& BALL::VertexAdjacencyEquality::operator=

(

const VertexAdjacencyEquality &

vae

)

Assignment operator