The SymbolAtomTyper class is a simple implementation of AtomTyper that assigns element symbols to each atom.
Public Functions
-
explicit SymbolAtomTyper(const Molecule *mol = nullptr)
-
~SymbolAtomTyper() override
Protected Functions
-
virtual std::string type(const Atom &atom) override
Determines the type of the atom.
- Parameters:
atom – The atom to type.
- Returns:
The type of atom.