Morphochem

Hyper distance path index

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

Description

Descriptor calculated applying the Wiener operator to the distance path matrix.

 

Equation 1:Hyper distance path index.

 

Prototype 

  template <class Molecule>
  struct hyper_distance_path_idx : std::unary_function<Molecule,size_t> {

    result_type operator()(const argument_type& m);

  };

Where defined

morpho/cdl/descriptors/topological.hpp

Namespace

morpho::cdl

Inherits from

std::unary_function<Molecule,size_t>

Arguments

ArgumentModel of
Molecule cdl::molecule

Example 

look @ others

Related Items

distance path matrix

References

  1. 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