BALL::VertexAdjacencyEquality Class Reference

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. More...

#include <simpleDescriptors.h>

Inheritance diagram for BALL::VertexAdjacencyEquality:

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List of all members.

Public Member Functions
Constructors and Destructors
	VertexAdjacencyEquality ()
	Default constructor.
	VertexAdjacencyEquality (const VertexAdjacencyEquality &vae)
	Copy constructor.
virtual	~VertexAdjacencyEquality ()
	Destructor.
Assignment
VertexAdjacencyEquality &	operator= (const VertexAdjacencyEquality &vae)
	Assignment operator.
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.