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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 1762 by tim, Fri Nov 19 21:38:22 2004 UTC vs.
Revision 1840 by tim, Fri Dec 3 00:26:07 2004 UTC

# Line 34 | Line 34 | namespace oopse {
34   #define USETHEFORCE_DUFF_HPP
35  
36   #include "UseTheForce/ForceField.hpp"
37 + #include "io/SectionParserManager.hpp"
38 + #include "UseTheForce/ForceFieldCreator.hpp"
39   namespace oopse {
40  
41   /**
# Line 42 | Line 44 | class DUFF : public ForceField {
44   */
45   class DUFF : public ForceField {
46      public:
47 <        virtual void parse(const std::string& filename = "DUFF.frc");
47 >        DUFF();
48 >        virtual void parse(const std::string& filename);
49  
50      private:
51 +        SectionParserManager spMan_;
52 +        /*
53          enum ParseState {
54              AtomTypeSection,
55              DirectionalAtomTypeSection,
# Line 60 | Line 65 | class DUFF : public ForceField {
65          void parseBondType(const std::string& line, int lineNo);
66          void parseBendType(const std::string& line, int lineNo);
67          void parseTorsionType(const std::string& line, int lineNo);
68 <
68 >        */
69   };
70  
71 < //declare the funtion to create DUFF
67 < ForceField* createDUFF();
68 <
71 > //static ForceFieldBuilder<DUFF>* DUFFCreator = new ForceFieldBuilder<DUFF>("DUFF");
72   } //end namespace oopse
73   #endif //USETHEFORCE_DUFF_HPP
74  

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