BALL::BalabanIndexJ Class Reference

#include <BALL/QSAR/connectivityDescriptors.h>

Inheritance diagram for BALL::BalabanIndexJ:

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List of all members.

Public Member Functions
Constructors and Destructors
	BalabanIndexJ ()
	BalabanIndexJ (const BalabanIndexJ &bij)
virtual	~BalabanIndexJ ()
Assignment
BalabanIndexJ &	operator= (const BalabanIndexJ &bij)

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Detailed Description

The Balaban index J is topological index. It is calculated using the distance matrix with weighted edges of the molecular graph: 1 for single bonds, ${1}{2}$ for double bonds, ${1}{3}$ for triple bonds and ${2}{3}$ for aromatic bonds. \( J = {q}{(q-n+2)} {{adjac.}i,j} (s_i,s_j)^{-{1}{2}} \), $s_i$ and $s_j$ denotes the row sum of the distance matrix of atom $i$ and $j$.

Definition at line 65 of file connectivityDescriptors.h.

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Constructor & Destructor Documentation

BALL::BalabanIndexJ::BalabanIndexJ

(

)

Default constructor

BALL::BalabanIndexJ::BalabanIndexJ

(

const BalabanIndexJ &

bij

)

Copy constructor

virtual BALL::BalabanIndexJ::~BalabanIndexJ

(

)

[virtual]

Destructor

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Member Function Documentation

BalabanIndexJ& BALL::BalabanIndexJ::operator=

(

const BalabanIndexJ &

bij

)

Assignment Operator