CDL descriptors | Mohar indices

Mohar indices

Descriptor Category : topological
c++ entity: functor

Description

Descriptors derived from the laplacian matrix. The first Mohar index is defined as:

**Equation 1:**First Mohar Index.

Where B is the bond number (number of edges in the molecular graph), and lambda(i) is the i eigenvalue of the laplacian matrix. The second Mohar index is defined as

**Equation 2:**Second Mohar Index.

Where A-1 is the first non-cero eigenvalue.

Prototype

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

    result_type operator()(const argument_type& m);

  };

For the first Mohar index, and:

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

    result_type operator()(const argument_type& m);

  };

For the second.

Where defined

morpho/cdl/descriptors/topological.hpp

Namespace

morpho::cdl

Inherits from

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

Arguments

Argument	Model of
`Molecule`	`cdl::molecule`