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root/group/trunk/OOPSE/libmdtools/SimInfo.hpp
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Comparing trunk/OOPSE/libmdtools/SimInfo.hpp (file contents):
Revision 790 by mmeineke, Mon Sep 29 21:16:11 2003 UTC vs.
Revision 836 by mmeineke, Tue Oct 28 22:25:46 2003 UTC

# Line 97 | Line 97 | class SimInfo{ (public)
97    int n_mol;           // n_molecules;
98    Molecule* molecules; // the array of molecules
99    
100 <  int nComponents;           // the number of componentsin the system
100 >  int nComponents;           // the number of components in the system
101    int* componentsNmol;       // the number of molecules of each component
102    MoleculeStamp** compStamps;// the stamps matching the components
103    LinkedMolStamp* headStamp; // list of stamps used in the simulation
# Line 120 | Line 120 | class SimInfo{ (public)
120  
121    // sets the internal function pointer to fortran.
122  
123 <  void setInternal( void (*fSetup) setFortranSimList,
124 <                    void (*fBox) setFortranBoxList,
125 <                    void (*fCut) notifyFortranCutOffList ){
123 >  void setInternal( setFortranSim_TD fSetup,
124 >                    setFortranBox_TD fBox,
125 >                    notifyFortranCutOff_TD fCut){
126      setFsimulation = fSetup;
127      setFortranBoxSize = fBox;
128      notifyFortranCutOffs = fCut;
# Line 145 | Line 145 | class SimInfo{ (public)
145    double getRlist( void ) { return rList; }
146    double getEcr( void )   { return ecr; }
147    double getEst( void )   { return est; }
148 +  double getMaxCutoff( void ) { return maxCutoff; }
149  
150    void setTime( double theTime ) { currentTime = theTime; }
151    void incrTime( double the_dt ) { currentTime += the_dt; }
# Line 200 | Line 201 | class SimInfo{ (public)
201    void checkCutOffs( void );
202  
203    // private function to initialize the fortran side of the simulation
204 <  void (*setFsimulation) setFortranSimList;
204 >  setFortranSim_TD setFsimulation;
205  
206 <  void (*setFortranBoxSize) setFortranBoxList;
206 >  setFortranBox_TD setFortranBoxSize;
207    
208 <  void (*notifyFortranCutOffs) notifyFortranCutOffList;
208 >  notifyFortranCutOff_TD notifyFortranCutOffs;
209    
210    //Addtional Properties of SimInfo
211    map<string, GenericData*> properties;

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