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root/group/branches/new_design/OOPSE-3.0/src/UseTheForce/ForceField.hpp
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Comparing branches/new_design/OOPSE-3.0/src/UseTheForce/ForceField.hpp (file contents):
Revision 1758 by tim, Fri Nov 19 17:56:32 2004 UTC vs.
Revision 1770 by tim, Tue Nov 23 17:53:43 2004 UTC

# Line 75 | Line 75 | class ForceField{
75          TorsionType* getTorsionType(const std::string &at1, const std::string &at2,
76                                            const std::string &at3, const std::string &at4);
77  
78 +        BondType* getExactBondType(const std::string &at1, const std::string &at2);
79 +        BendType* getExactBendType(const std::string &at1, const std::string &at2,
80 +                                    const std::string &at3);
81 +        TorsionType* getExactTorsionType(const std::string &at1, const std::string &at2,
82 +                                          const std::string &at3, const std::string &at4);
83 +
84 +
85          //avoid make virtual function public
86          //Herb Sutter and Andrei Alexandrescu, C++ coding Standards, Addision-Wesley
87          virtual double getRcutFromAtomType(AtomType* at);
# Line 97 | Line 104 | class ForceField{
104                                            const std::string &at3, const std::string &at4, TorsionType* torsionType);
105  
106          ifstrstream* openForceFieldFile(const std::string& filename);
107 +
108 +        unsigned int getNAtomType() {
109 +            return atomTypeCont_.size();
110 +        }
111 +        
112      private:  
113          std::string ffPath_;
114          bool hasVariant_;
# Line 113 | Line 125 | class ForceField{
125          BondTypeContainer bondTypeCont_;
126          BendTypeContainer bendTypeCont_;
127          TorsionTypeContainer torsionTypeCont_;
128 +
129 +        SectionParserManager
130   };
131  
132  

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