--- trunk/src/integrators/RNEMD.hpp 2009/03/19 21:03:36 1330 +++ trunk/src/integrators/RNEMD.hpp 2009/04/02 16:04:52 1331 @@ -51,6 +51,8 @@ #define INTEGRATORS_RNEMD_HPP #include "brains/SimInfo.hpp" #include "math/RandNumGen.hpp" +#include "selection/SelectionEvaluator.hpp" +#include "selection/SelectionManager.hpp" namespace oopse { @@ -68,9 +70,9 @@ namespace oopse { void set_RNEMD_nBins(int nbins) { nBins_ = nbins; } RealType get_RNEMD_exchange_total() { return exchangeSum_; } void set_RNEMD_exchange_total(RealType et) {exchangeSum_ = et;} - + private: - + enum RNEMDTypeEnum { rnemdKinetic, rnemdPx, @@ -86,8 +88,11 @@ namespace oopse { RealType exchangeSum_; RNEMDTypeEnum rnemdType_; std::map stringToEnumMap_; + std::string rnemdObjectSelection_; + SelectionManager seleMan_; + SelectionEvaluator evaluator_; + bool usePeriodicBoundaryConditions_; - }; }