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root/group/branches/new_design/OOPSE-2.0/src/UseTheForce/ForceField.hpp
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Comparing branches/new_design/OOPSE-2.0/src/UseTheForce/ForceField.hpp (file contents):
Revision 1785 by tim, Wed Nov 24 21:33:00 2004 UTC vs.
Revision 1786 by tim, Fri Nov 26 02:13:56 2004 UTC

# Line 99 | Line 99 | class ForceField{
99              wildCardAtomTypeName_ = wildCard;
100          }
101  
102 <    protected:
102 >
103 >        unsigned int getNAtomType() {
104 >            return atomTypeCont_.size();
105 >        }
106          
107          bool addAtomType(const std::string &at, AtomType* atomType);
108 +
109          bool addBondType(const std::string &at1, const std::string &at2, BondType* bondType);
110 +
111          bool addBendType(const std::string &at1, const std::string &at2,
112                                      const std::string &at3, BendType* bendType);
113 +
114          bool addTorsionType(const std::string &at1, const std::string &at2,
115                                            const std::string &at3, const std::string &at4, TorsionType* torsionType);
116  
117          ifstrstream* openForceFieldFile(const std::string& filename);
118  
113 –        unsigned int getNAtomType() {
114 –            return atomTypeCont_.size();
115 –        }
116 –        
119      protected:
120  
121          AtomTypeContainer atomTypeCont_;    

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