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root/group/branches/new_design/OOPSE-3.0/src/UseTheForce/DUFF.hpp
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Comparing branches/new_design/OOPSE-3.0/src/UseTheForce/DUFF.hpp (file contents):
Revision 1758 by tim, Fri Nov 19 17:56:32 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 –
48          enum ParseState {
49              AtomTypeSection,
50              DirectionalAtomTypeSection,
# Line 57 | Line 56 | class DUFF : public ForceField {
56  
57          ParseState getSection(const std::string& section);
58          
59 <        void parseAtomType(const std::string& line, int lineNo);
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);

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