/*
* Read parameters from file.
*/
void McSimulation::readParameters(std::istream &in)
{
if (isInitialized_) {
UTIL_THROW("Error: Called readParam when already initialized");
}
// Record identity of parameter file
paramFilePtr_ = ∈
// Read all species, analyzers, random number seed
Simulation::readParameters(in);
// Read the McSystem parameters: potential parameters, temperature etc.
readParamComposite(in, system());
// Read Monte Carlo Moves
assert(mcMoveManagerPtr_);
readParamComposite(in, *mcMoveManagerPtr_);
// Read Analyzers
readParamComposite(in, analyzerManager());
// Parameters for writing restart files
read<int>(in, "saveInterval", saveInterval_);
if (saveInterval_ > 0) {
read<std::string>(in, "saveFileName", saveFileName_);
}
isValid();
isInitialized_ = true;
}
void System::readTetherMaster(std::istream &in)
{
if (simulation().hasTether()) {
tetherMasterPtr_ = new TetherMaster();
readParamComposite(in, *tetherMasterPtr_);
}
}
void System::readLinkMaster(std::istream& in)
{
if (simulation().nLinkType() > 0) {
linkMasterPtr_ = new LinkMaster();
readParamComposite(in, *linkMasterPtr_);
}
}
/*
* Create EnergyEnsemble and BoundaryEnsemble
*/
void System::readEnsembles(std::istream &in)
{
readParamComposite(in, *energyEnsemblePtr_);
readParamComposite(in, *boundaryEnsemblePtr_);
}
void AtomicMaker::readParam(std::istream& in)
{
read<Boundary>(in, "boundary", boundary_);
readParamComposite(in, random_);
read<int>(in, "nMolecule", nMolecule_);
}
