OpenMD 3.1
Molecular Dynamics in the Open
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The only responsibility of SimCreator is to parse the meta-data file and create a SimInfo instance based on the information returned by parser. More...
#include "brains/SimCreator.hpp"
Public Member Functions | |
SimInfo * | createSim (const std::string &mdFileName, bool loadInitCoords=true) |
Setup Simulation. | |
The only responsibility of SimCreator is to parse the meta-data file and create a SimInfo instance based on the information returned by parser.
Definition at line 71 of file SimCreator.hpp.
SimInfo * OpenMD::SimCreator::createSim | ( | const std::string & | mdFileName, |
bool | loadInitCoords = true ) |
Setup Simulation.
mdFileName | the meta-data file name |
loadInitCoords | should the initial coordinates be loaded from a file? |
Definition at line 239 of file SimCreator.cpp.
References OpenMD::SimInfo::addInteractionPairs(), OpenMD::SimInfo::beginMolecule(), OpenMD::SimInfo::getAtomStorageLayout(), OpenMD::StringTokenizer::hasMoreTokens(), OpenMD::SimInfo::nextMolecule(), OpenMD::StringTokenizer::nextToken(), OpenMD::StringTokenizer::nextTokenAsInt(), and OpenMD::SimInfo::setSnapshotManager().