CDL descriptors | distance path matrix

Distance path matrix

Descriptor Category : topological
c++ entity: member

Description

A square symmetric matrix AxA whose off diagonal entries i, j is the counts of all paths of any lenght m (1 <= m <= dij) that are included in the shortest path from vertex vi to vertex vj. The diagonal entries are cero. Each entry of the distance path matrix is calculated from the distance matrix as: Dpij = (dij^2 + dij) / 2.
The property accessor selector is distance_path_matrixS

Prototype

Where defined

morpho/cdl/descriptors/properties/desc_mol_properties.hpp
For the property, and
morpho/cdl/descriptors/properties/desc_mol_props_selectors.hpp
For the property selector

Namespace

morpho::cdl

Inherits from

Arguments

Example

// suppose you're streaming a mol format from the stdin:
// and you want to get a const reference to the matrix:
typedef desc_molecular_properties<>   desc_mol_props_t;
typedef boost::property<mol_propsS, molecular_properties<>,
  boost::property<descriptors_mol_propsS, desc_mol_props_t> > descr_props_t;
typedef molecule<double,descr_props_t>    M;
morpho::cdl::juice<M>             j;
morpho::cdl::get_juice_from_stream(std::cin, j, 0, sdf_formatT());
M   mol(j);
const MolProperty<distance_path_matrixS,M>& LM = MolProperty<distance_path_matrixS,M>::get(mol);
for (int i=0; i<LM.size1(); ++i) {
  for (int j=0; j<LM.size2(); ++j) {
    std::cout << LM(i,j) << '\t';
  }
  std::cout << '\n';
}