Morphochem

Quasi Wiener index

CDL descriptor
Descriptor Category : topological
c++ entity: functor

Description

Descriptor calculated as the sum of the reciprocal A-1 positive eigenvalues of the laplacian matrix.

 

Equation 1:Quasi Wiener index.

 

For acyclic graphs, the quasi Wiener index conicides with the Wiener index.

Prototype 

  template <class Molecule>
  struct quasi_wiener_index : std::unary_function<Molecule,typename Molecule::calc_type> {

    result_type operator()(const argument_type& m);

  };

Where defined

morpho/cdl/descriptors/topological.hpp

Namespace

morpho::cdl

Inherits from

std::unary_function<Molecule,typename Molecule::calc_type>

Arguments

ArgumentModel of
Molecule cdl::molecule

Example 

same as others

Related Items

Mohar indices
Laplacian matrix

References

  1. Markovic, S.; Gutman, I.; Bancevic, Z.; "Correlation between Wiener and Quasi-Wiener indices in Benzenoid Hydrocarbons". J.Serb.Chem.Soc., 60. 633-636. 1995.
  2. Todeschini, R.; Consonni, V. "Handbook of Molecular Descriptors". Wiley-VCH, Methods and Principles in Medicinal Chemistry. Volume 11. 2000.

Copyright (c) Vladimir Josef Sykora and Morphochem AG 2003