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Comparing branches/new_design/OOPSE-4/src/brains/SimInfo.hpp (file contents):
Revision 1712 by tim, Thu Nov 4 20:55:01 2004 UTC vs.
Revision 1719 by tim, Fri Nov 5 23:38:27 2004 UTC

# Line 32 | Line 32
32  
33   #ifndef BRAINS_SIMMODEL_HPP
34   #define BRAINS_SIMMODEL_HPP
35 < #include <vector>
35 >
36   #include <iostream>
37 + #include <vector>
38 + #include <utility>
39  
40   #include "brains/fSimulation.h"
41   #include "primitives/Molecule.hpp"
42 + #include "types/MoleculeStamp.hpp"
43   #include "utils/PropertyMap.hpp"
44 + #include "io/Globals.hpp"
45  
46   namespace oopse{
47  
# Line 150 | Line 154 | class SimInfo {
154              sman_ = sman;
155          }
156  
157 +        /** Returns the force field */
158          ForceField* getForceField() {
159              return forceField_;
160          }
161 <        
161 >
162 >        /** Sets the force field */
163          void setForceField(ForceField* ff) {
164              forceField_ = ff;
165          }
166 +
167 +        Globals* getGlobals() {
168 +            return globals_;
169 +        }
170 +        
171 +        void setGlobals(Globals* globals) {
172 +            globals_ = globals;
173 +        }
174 +
175 +        int* getExcludeList() {
176 +            return exclude_.getExcludeList();
177 +        }
178 +        
179      private:
180  
181          void calcNDF();
182          void calcNDFRaw();
183          void calcNDFTrans();
184  
185 +        void addExcludePairs(Molecule* mol);
186 +        void removeExcludePairs(Molecule* mol);
187 +
188          int ndf_;
189          int ndfRaw_;
190          int ndfTrans_;
# Line 176 | Line 198 | class SimInfo {
198          int nCutoffGroups_;
199          int nConstraints_;
200  
201 <        simtype fInfo;
202 <        Exclude excludeList;
201 >        simtype fInfo_;
202 >        Exclude exclude_;
203          ForceField* forceField_;
204          
205          std::vector<Molecule*> molecules_; /**< Molecule array */
206          PropertyMap properties_;                  /** Generic Property */
207          SnapshotManager* sman_;               /** SnapshotManager */
208  
209 +        std::vector<std::pair<MoleculeStamp*, int> > moleculeStamps_;
210 +        Globals* globals_;
211   };
212  
213   } //namespace oopse

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