BALL::BalabanIndexJ Class Reference
The Balaban index J is topological index. More...#include <connectivityDescriptors.h>
Inheritance diagram for BALL::BalabanIndexJ:
[legend]
Public Member Functions |
|
|
Constructors and Destructors
|
|
| BalabanIndexJ () | |
| Default constructor. |
|
| BalabanIndexJ (const BalabanIndexJ &bij) | |
| Copy constructor. |
|
| virtual | ~BalabanIndexJ () |
| Destructor. |
|
|
Assignment
|
|
| BalabanIndexJ & | operator= (const BalabanIndexJ &bij) |
| Assignment Operator. |
|
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 $j$.
