BALL::BalabanIndexJ Class Reference
#include <BALL/QSAR/connectivityDescriptors.h>
Inheritance diagram for BALL::BalabanIndexJ:
Public Member Functions | |
Constructors and Destructors | |
| BalabanIndexJ () | |
| BalabanIndexJ (const BalabanIndexJ &bij) | |
| virtual | ~BalabanIndexJ () |
Assignment | |
| BalabanIndexJ & | operator= (const BalabanIndexJ &bij) |
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.
Constructor & Destructor Documentation
| BALL::BalabanIndexJ::BalabanIndexJ | ( | ) |
Default constructor
| BALL::BalabanIndexJ::BalabanIndexJ | ( | const BalabanIndexJ & | bij | ) |
Copy constructor
| virtual BALL::BalabanIndexJ::~BalabanIndexJ | ( | ) | [virtual] |
Destructor
Member Function Documentation
| BalabanIndexJ& BALL::BalabanIndexJ::operator= | ( | const BalabanIndexJ & | bij | ) |
Assignment Operator
