Chemical Descriptors Library: count_atoms()
Atom Count

count_atoms

Prototype

  template <class Molecule>
  void
  count_atoms(const Molecule& m, std::map<unsigned int,unsigned int>& count_map);

Arguments

ParameterDescriptionModels
m The molecule CDL molecule
count_map A map. key is the atomic number, value is the count of that element in the molecule std::map

Description

Gets a map that counts the number of times an element is present in the molecule

Definition

#include <morpho/cdl/molecule/algorithms/mol_algo.hpp>

Preconditions

Complexity

References



Copyright © Vladimir Josef Sykora & Morphochem AG 2003
Copyright © Vladimir Josef Sykora 2003-2006