Chemical Descriptors Library: count_atoms()
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Atom Count
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count_atoms
Prototype
template <class Molecule>
void
count_atoms(const Molecule& m, std::map<unsigned int,unsigned int>& count_map);
Arguments
| Parameter | Description | Models |
| 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
