OpenMD 3.1
Molecular Dynamics in the Open
Loading...
Searching...
No Matches
OpenMD::SimCreator Class Reference

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

SimInfocreateSim (const std::string &mdFileName, bool loadInitCoords=true)
 Setup Simulation.
 

Detailed Description

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.

Member Function Documentation

◆ createSim()

SimInfo * OpenMD::SimCreator::createSim ( const std::string & mdFileName,
bool loadInitCoords = true )

Setup Simulation.

Returns
a pointer to SimInfo
Parameters
mdFileNamethe meta-data file name
loadInitCoordsshould 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().


The documentation for this class was generated from the following files: