/* * MoleculeFormulaDescriptor.hpp * * Created on: Jul 22, 2010 * Author: crueger */ #ifndef MOLECULEFORMULADESCRIPTOR_HPP_ #define MOLECULEFORMULADESCRIPTOR_HPP_ // include config.h #ifdef HAVE_CONFIG_H #include #endif #include "Descriptors/MoleculeDescriptor.hpp" #include "Formula.hpp" MoleculeDescriptor MoleculeByFormula(const Formula&); MoleculeDescriptor MoleculeByFormula(const std::string&) throw(FormulaStringParseException); #endif /* MOLECULEFORMULADESCRIPTOR_HPP_ */