[ViewVC] Diff of: group/branches/new_design/OOPSE-2.0/src/UseTheForce/ForceField.hpp

Comparing branches/new_design/OOPSE-2.0/src/UseTheForce/ForceField.hpp (file contents):
Revision 1740 by tim, Mon Nov 15 23:00:32 2004 UTC vs.
Revision 1758 by tim, Fri Nov 19 17:56:32 2004 UTC

#	Line 40 \| Line 40
40		#include <string>
41		#include <utilities>
42
43	–	#include "utils/Tuple.hpp"
44	–	#include "types/ShapeAtomType.hpp"
43		#include "io/basic_ifstrstream.hpp"
44		#include "utils/TypeContainer.hpp"
45	+	#include "types/AtomType.hpp"
46	+	#include "types/BondType.hpp"
47	+	#include "types/BendType.hpp"
48	+	#include "types/TorsionType.hpp"
49
50		namespace oopse {
51
#	Line 87 \| Line 89 \| class ForceField{
89
90		protected:
91
92	<	void addAtomType(const std::string &at, AtomType* atomType);
93	<	void addBondType(const std::string &at1, const std::string &at2, BondType* bondType);
94	<	void addBendType(const std::string &at1, const std::string &at2,
92	>	bool addAtomType(const std::string &at, AtomType* atomType);
93	>	bool addBondType(const std::string &at1, const std::string &at2, BondType* bondType);
94	>	bool addBendType(const std::string &at1, const std::string &at2,
95		const std::string &at3, BendType* bendType);
96	<	void addTorsionType(const std::string &at1, const std::string &at2,
96	>	bool addTorsionType(const std::string &at1, const std::string &at2,
97		const std::string &at3, const std::string &at4, TorsionType* torsionType);
98
99		ifstrstream* openForceFieldFile(const std::string& filename);
#	Line 113 \| Line 115 \| class ForceField{
115		TorsionTypeContainer torsionTypeCont_;
116		};
117
116	–	typedef GenericFactory<ForceField> ForceFieldFactory;
118
119		}//end namespace oopse
120		#endif

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