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root/group/trunk/OOPSE-4/src/UseTheForce/ForceField.hpp
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Comparing trunk/OOPSE-4/src/UseTheForce/ForceField.hpp (file contents):
Revision 2211 by chrisfen, Thu Apr 21 14:12:19 2005 UTC vs.
Revision 2448 by tim, Wed Nov 16 23:10:02 2005 UTC

# Line 57 | Line 57
57   #include <utility>
58  
59   #include "io/basic_ifstrstream.hpp"
60 + #include "io/ForceFieldOptions.hpp"
61   #include "utils/TypeContainer.hpp"
62   #include "types/AtomType.hpp"
63   #include "types/BondType.hpp"
# Line 138 | Line 139 | namespace oopse {
139  
140      ifstrstream* openForceFieldFile(const std::string& filename);
141  
142 +    ForceFieldOptions& getForceFieldOptions() {return forceFieldOptions_;}
143    protected:
144  
145      AtomTypeContainer atomTypeCont_;    
146      BondTypeContainer bondTypeCont_;
147      BendTypeContainer bendTypeCont_;
148      TorsionTypeContainer torsionTypeCont_;
149 <        
149 >    ForceFieldOptions forceFieldOptions_;
150 >    
151    private:  
152      std::string ffPath_;
153  

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