StarPolymers.cpp

#include <OpenMPCD/CUDA/MPCSolute/Instrumentation/StarPolymers.hpp>
 
#include <OpenMPCD/FilesystemUtilities.hpp>
 
#include <boost/filesystem.hpp>
 
namespace OpenMPCD
{
namespace CUDA
{
namespace MPCSolute
{
namespace Instrumentation
{
 
template<typename PositionCoordinate, typename VelocityCoordinate>
StarPolymers<PositionCoordinate, VelocityCoordinate>::StarPolymers(
    MPCSolute::StarPolymers<PositionCoordinate, VelocityCoordinate>* const
        starPolymers_,
    const Configuration::Setting& settings_)
    : starPolymers(starPolymers_), settings(settings_)
{
    resetSnapshotFile();
}
 
template<typename PositionCoordinate, typename VelocityCoordinate>
StarPolymers<PositionCoordinate, VelocityCoordinate>::~StarPolymers()
{
    if(!snapshotFilePath.empty())
        boost::filesystem::remove(snapshotFilePath);
}
 
template<typename PositionCoordinate, typename VelocityCoordinate>
void StarPolymers<PositionCoordinate, VelocityCoordinate>::measureSpecific()
{
    starPolymers->writeStateToSnapshot(snapshotFile.get());
}
 
template<typename PositionCoordinate, typename VelocityCoordinate>
void StarPolymers<PositionCoordinate, VelocityCoordinate>::saveSpecific(
    const std::string& rundir) const
{
    const std::string basedir = rundir + "/StarPolymers";
    FilesystemUtilities::ensureDirectory(basedir);
 
    if(settings.has("initialState"))
    {
        boost::filesystem::copy(
            settings.read<std::string>("initialState"),
            basedir + "/initialState.vtf");
    }
 
    snapshotFile.reset();
    boost::filesystem::copy(snapshotFilePath, basedir + "/snapshots.vtf");
    resetSnapshotFile();
}
 
template<typename PositionCoordinate, typename VelocityCoordinate>
void
StarPolymers<PositionCoordinate, VelocityCoordinate>::resetSnapshotFile()
const
{
    if(!snapshotFilePath.empty())
        boost::filesystem::remove(snapshotFilePath);
 
    {
        const boost::filesystem::path tmp =
            boost::filesystem::temp_directory_path() /
            boost::filesystem::unique_path();
        snapshotFilePath = tmp.string();
    }
    snapshotFile.reset(new VTFSnapshotFile(snapshotFilePath));
    starPolymers->writeStructureToSnapshot(snapshotFile.get());
}
 
} //namespace Instrumentation
} //namespace MPCSolute
} //namespace CUDA
} //namespace OpenMPCD
 
template class
    OpenMPCD::CUDA::MPCSolute::Instrumentation::StarPolymers<double, double>;