--- trunk/src/integrators/RNEMD.cpp 2009/03/14 01:23:53 1329 +++ trunk/src/integrators/RNEMD.cpp 2009/03/19 21:03:36 1330 @@ -63,6 +63,23 @@ namespace oopse { int seedValue; Globals * simParams = info->getSimParams(); + + stringToEnumMap_["Kinetic"] = rnemdKinetic; + stringToEnumMap_["Px"] = rnemdPx; + stringToEnumMap_["Py"] = rnemdPy; + stringToEnumMap_["Pz"] = rnemdPz; + stringToEnumMap_["Unknown"] = rnemdUnknown; + + const std::string st = simParams->getRNEMD_swapType(); + + std::map::iterator i; + i = stringToEnumMap_.find(st); + rnemdType_ = (i == stringToEnumMap_.end()) ? RNEMD::rnemdUnknown : i->second; + + + set_RNEMD_swapTime(simParams->getRNEMD_swapTime()); + set_RNEMD_nBins(simParams->getRNEMD_nBins()); + exchangeSum_ = 0.0; #ifndef IS_MPI if (simParams->haveSeed()) { @@ -84,8 +101,12 @@ namespace oopse { RNEMD::~RNEMD() { delete randNumGen_; } - + void RNEMD::doSwap() { std::cerr << "in RNEMD!\n"; + std::cerr << "nBins = " << nBins_ << "\n"; + std::cerr << "swapTime = " << swapTime_ << "\n"; + std::cerr << "exchangeSum = " << exchangeSum_ << "\n"; + std::cerr << "swapType = " << rnemdType_ << "\n"; } }