{

const ElementDB& db = *ElementDB::getInstance();

// extract carbon element from ElementDB

// .getResidue("C") would work as well

const Element& carbon = *db.getElement("Carbon");

// output name, symbol, monoisotopic weight and average weight

cout << carbon.getName() << " " << carbon.getSymbol() << " " << carbon.getMonoWeight() << " " << carbon.getAverageWeight() << endl;

if (db.hasElement("foo")) { std::cout << "worth a try..."; }

// get all elements currently known; you can also get them by atomic number or symbols:

const auto all_elements_name = db.getNames();

const auto all_elements_AN = db.getAtomicNumbers();

const auto all_elements_symbols = db.getSymbols();

std::cout << "We currently know of: " << all_elements_name.size() << " elements (incl. isotopes)\n"

<< " with: " << all_elements_AN.size() << " different atomic numbers (linking to the monoisotopic isotope)\n"

<< " and: " << all_elements_symbols.size() << " different symbols\n\n";

std::cout << "\nLet's find all hydrogen isotopes:\n";

for (const auto e : all_elements_name)

{

// all hydrogens have AN == 1

if (e.second->getAtomicNumber() == 1)

{

std::cout << " --> " << std::setw(30) << e.first

<< " Symbol: " << std::setw(5) << e.second->getSymbol()

<< " AN: " << std::setw(3) << e.second->getAtomicNumber()

<< " mono-weight: " << std::setw(14)<< e.second->getMonoWeight() << "\n";

}

}

std::cout << "\nLets print all monoisotopic elements:\n";

for (const auto e : all_elements_AN)

{

std::cout << std::setw(30) << e.first

<< " Symbol: " << std::setw(5) << e.second->getSymbol()

<< " AN: " << std::setw(3) << e.second->getAtomicNumber()

<< " mono-weight: " << std::setw(14)<< e.second->getMonoWeight() << "\n";

}