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root/group/branches/new_design/OOPSE-4/src/UseTheForce/ForceField.hpp
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Comparing branches/new_design/OOPSE-4/src/UseTheForce/ForceField.hpp (file contents):
Revision 1782 by tim, Tue Nov 23 17:53:43 2004 UTC vs.
Revision 1783 by tim, Wed Nov 24 21:33:00 2004 UTC

# Line 38 | Line 38
38   #define STR_DEFINE(t, s) t = MK_STR(s)
39  
40   #include <string>
41 < #include <utilities>
41 > #include <utility>
42  
43   #include "io/basic_ifstrstream.hpp"
44   #include "utils/TypeContainer.hpp"
# Line 50 | Line 50 | namespace oopse {
50   namespace oopse {
51  
52   /**
53 < * @class ForceFiled ForceField.hpp ''UseTheForce/ForceField.hpp"
53 > * @class ForceField ForceField.hpp ''UseTheForce/ForceField.hpp"
54   * @brief
55   */
56   class ForceField{
57  
58      public:
59  
60 +        typedef TypeContainer<AtomType, 1> AtomTypeContainer;
61 +        typedef TypeContainer<BondType, 2> BondTypeContainer;
62 +        typedef TypeContainer<BendType, 3> BendTypeContainer;
63 +        typedef TypeContainer<TorsionType, 4> TorsionTypeContainer;
64 +        
65          ForceField();
66  
67 <        virtual ~ForceFields(){}
67 >        virtual ~ForceField(){}
68  
69          void setVariant(const std::string &variant) {
70              hasVariant_ = true;
# Line 109 | Line 114 | class ForceField{
114              return atomTypeCont_.size();
115          }
116          
117 +    protected:
118 +
119 +        AtomTypeContainer atomTypeCont_;    
120 +        BondTypeContainer bondTypeCont_;
121 +        BendTypeContainer bendTypeCont_;
122 +        TorsionTypeContainer torsionTypeCont_;
123 +        
124      private:  
125          std::string ffPath_;
126          bool hasVariant_;
# Line 116 | Line 128 | class ForceField{
128  
129          std::string wildCardAtomTypeName_;
130  
119 –        typedef TypeContainer<AtomType, 1> AtomTypeContainer;
120 –        typedef TypeContainer<BondType, 2> BondTypeContainer;
121 –        typedef TypeContainer<BendType, 3> BendTypeContainer;
122 –        typedef TypeContainer<TorsionType, 4> TorsionTypeContainer;
123 –
124 –        AtomTypeContainer atomTypeCont_;    
125 –        BondTypeContainer bondTypeCont_;
126 –        BendTypeContainer bendTypeCont_;
127 –        TorsionTypeContainer torsionTypeCont_;
128 –
129 –        SectionParserManager
131   };
132  
133  

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