/* * HydrogenSaturation_enum.hpp * * Created on: Oct 26, 2011 * Author: heber */ #ifndef HYDROGENSATURATION_ENUM_HPP_ #define HYDROGENSATURATION_ENUM_HPP_ // include config.h #ifdef HAVE_CONFIG_H #include #endif enum HydrogenSaturation { DontSaturate, //!< don't saturate and don't treat hydrogen special in any way DoSaturate, //!< do saturate dangling bonds and hence also treat hydrogen special (neglect it) }; enum HydrogenTreatment { ExcludeHydrogen, //!< exclude hydrogen from the bond graph, i.e. fragmentation treats hydrogen special IncludeHydrogen, //!< include hydrogen from the bond graph, i.e. fragmentation treats hydrogen just as the rest }; #endif /* HYDROGENSATURATION_ENUM_HPP_ */