atom_example.cpp

#include <elements.h>

void main()
{
        // instanciates a new Hydrogen atom
  Atom* a1 = new Atom(elements["H"]);

        // add a new float descriptor
        a1->addFloatDescriptor("myFloatDescriptor", 0, "Angstrom", "My cute additional descriptor");

        // get value of myFloatDescriptor for atom a1
        float mfdValue = a1->getFloatDescriptor("myFloatDescriptor")->getValue();
        string mfdUnit = a1->getFloatDescriptor("myFloatDescriptor")->getValue();
        cout << "the value of myFloatDescriptor is equal" << mfd << " " << mfdUnit << endl;

        // get atomic number
        int thisAn = a1->getAn();
        cout << "atomic number: " << thisAn << endl;

  a1->describe();
}

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