--- trunk/OOPSE-4/src/UseTheForce/ForceField.hpp 2005/04/21 14:12:19 2211 +++ trunk/OOPSE-4/src/UseTheForce/ForceField.hpp 2005/11/16 23:10:02 2448 @@ -57,6 +57,7 @@ #include #include "io/basic_ifstrstream.hpp" +#include "io/ForceFieldOptions.hpp" #include "utils/TypeContainer.hpp" #include "types/AtomType.hpp" #include "types/BondType.hpp" @@ -138,13 +139,15 @@ namespace oopse { ifstrstream* openForceFieldFile(const std::string& filename); + ForceFieldOptions& getForceFieldOptions() {return forceFieldOptions_;} protected: AtomTypeContainer atomTypeCont_; BondTypeContainer bondTypeCont_; BendTypeContainer bendTypeCont_; TorsionTypeContainer torsionTypeCont_; - + ForceFieldOptions forceFieldOptions_; + private: std::string ffPath_;