Chemical Descriptors Library: make_distance_matrix()
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Make Distance Matrix
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make_distance_matrix
Prototype
template <class VertexDescMatrix, class Molecule>
void make_distance_matrix (VertexDescMatrix& dm, Molecule& m);
Arguments
| Parameter | Description | Models |
| dm |
The distance matrix |
UBlas matrix, with vaue_type = vertex_descriptor |
| m |
The molecule |
you know what's it |
Description
Makes a distance matrix.
Definition
#include <morpho/cdl/molecule/algorithms/mol_algo.hpp>
Preconditions
dm.size1() == dm.size2() == m.num_atoms().
Complexity
Application of a breadth first search for each vertex.
O(E.V + V^2)
References
Copyright © Vladimir Josef Sykora & Morphochem AG 2003
Copyright © Vladimir Josef Sykora 2003-2006
