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root/group/branches/new_design/OOPSE-4/src/UseTheForce/DUFF.hpp
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Comparing branches/new_design/OOPSE-4/src/UseTheForce/DUFF.hpp (file contents):
Revision 1741 by tim, Tue Nov 16 02:07:14 2004 UTC vs.
Revision 1762 by tim, Fri Nov 19 21:38:22 2004 UTC

# Line 38 | Line 38 | namespace oopse {
38  
39   /**
40   * @class DUFF DUFF.hpp "UseTheForce/DUFF.hpp"
41 < *
41 > * @brief Dipole United Atom Force Field Parser
42   */
43   class DUFF : public ForceField {
44      public:
45          virtual void parse(const std::string& filename = "DUFF.frc");
46  
47      private:
48 +        enum ParseState {
49 +            AtomTypeSection,
50 +            DirectionalAtomTypeSection,
51 +            BondTypeSection,
52 +            BendTypeSection,
53 +            TorsionTypeSection,
54 +            UnknownSection                
55 +        };
56  
57 <        void parseAtomType();
58 <        void parseBondType();
59 <        void parseBendType();
60 <        void parseTorsionType();
57 >        ParseState getSection(const std::string& section);
58 >        
59 >        void parseAtomType(const std::string& line, int lineNo, int& ident);
60 >        void parseBondType(const std::string& line, int lineNo);
61 >        void parseBendType(const std::string& line, int lineNo);
62 >        void parseTorsionType(const std::string& line, int lineNo);
63  
64   };
65  

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