--- trunk/OOPSE/libmdtools/SimInfo.hpp 2003/07/31 19:59:34 660 +++ trunk/OOPSE/libmdtools/SimInfo.hpp 2003/08/07 21:47:18 670 @@ -9,6 +9,7 @@ #include "Molecule.hpp" #include "AbstractClasses.hpp" #include "MakeStamps.hpp" +#include "SimState.hpp" #define __C #include "fSimulation.h" @@ -154,14 +155,17 @@ class SimInfo{ (public) void printMat3(double A[3][3]); void printMat9(double A[9]); double matDet3(double m[3][3]); + + SimState* getConfiguration( void ) { return myConfiguration; } - void addProperty(GenericData* prop); GenericData* getProperty(const string& propName); vector getProperties(); - + private: + SimState* myConfiguration; + double origRcut, origEcr; int boxIsInit, haveOrigRcut, haveOrigEcr;