OpenMD  2.5
Molecular Dynamics in the Open
OpenMD::SnapshotManager Class Referenceabstract

SnapshotManager class is an abstract class which maintains a series of snapshots. More...

#include "brains/SnapshotManager.hpp"

Inheritance diagram for OpenMD::SnapshotManager:
OpenMD::BlockSnapshotManager OpenMD::SimSnapshotManager

Public Member Functions

virtual ~SnapshotManager ()
 
virtual bool advance ()
 
virtual SnapshotgetSnapshot (int id)=0
 
SnapshotgetPrevSnapshot ()
 
SnapshotgetCurrentSnapshot ()
 
int getStorageLayout ()
 

Protected Member Functions

 SnapshotManager (int storageLayout)
 

Protected Attributes

SnapshotcurrentSnapshot_
 
SnapshotpreviousSnapshot_
 

Private Attributes

int storageLayout_
 

Detailed Description

SnapshotManager class is an abstract class which maintains a series of snapshots.

See also
SimSnapshotManager
PropSnapshotManager

Definition at line 65 of file SnapshotManager.hpp.

Constructor & Destructor Documentation

◆ ~SnapshotManager()

virtual OpenMD::SnapshotManager::~SnapshotManager ( )
inlinevirtual

Definition at line 68 of file SnapshotManager.hpp.

References currentSnapshot_, and previousSnapshot_.

◆ SnapshotManager()

OpenMD::SnapshotManager::SnapshotManager ( int  storageLayout)
inlineprotected

Definition at line 102 of file SnapshotManager.hpp.

Member Function Documentation

◆ advance()

◆ getCurrentSnapshot()

Snapshot* OpenMD::SnapshotManager::getCurrentSnapshot ( )
inline

Returns the pointer of current snapshot

Returns
the pointer of current snapshot

Definition at line 89 of file SnapshotManager.hpp.

References currentSnapshot_.

Referenced by OpenMD::StuntDouble::addDensity(), OpenMD::StuntDouble::addElectricField(), OpenMD::StuntDouble::addFlucQFrc(), OpenMD::StuntDouble::addFlucQPos(), OpenMD::StuntDouble::addFlucQVel(), OpenMD::StuntDouble::addFrc(), OpenMD::StuntDouble::addParticlePot(), OpenMD::StuntDouble::addSitePotential(), OpenMD::StuntDouble::addTrq(), OpenMD::UniformField::applyPerturbation(), OpenMD::UniformGradient::applyPerturbation(), OpenMD::ForceMatrixDecomposition::buildNeighborList(), OpenMD::GhostBend::calcForce(), OpenMD::GhostTorsion::calcForce(), OpenMD::Bond::calcForce(), OpenMD::Inversion::calcForce(), OpenMD::Torsion::calcForce(), OpenMD::Bend::calcForce(), OpenMD::ThermoIntegrationForceManager::calcForces(), OpenMD::RestraintForceManager::calcForces(), OpenMD::RigidBody::calcForcesAndTorques(), OpenMD::RigidBody::calcForcesAndTorquesAndVirial(), OpenMD::Electrostatic::calcSurfaceTerm(), OpenMD::ZconstraintForceManager::checkZConsState(), OpenMD::RNEMD::collectData(), OpenMD::ForceMatrixDecomposition::collectData(), OpenMD::ForceMatrixDecomposition::collectIntermediateData(), OpenMD::ForceMatrixDecomposition::collectSelfData(), OpenMD::Stats::collectStats(), OpenMD::SelectionEvaluator::compareProperty(), OpenMD::ForceMatrixDecomposition::distributeData(), OpenMD::ForceMatrixDecomposition::distributeInitialData(), OpenMD::ForceMatrixDecomposition::distributeIntermediateData(), OpenMD::ContactAngle2::doFrame(), OpenMD::ZconstraintForceManager::doHarmonic(), OpenMD::RNEMD::doNIVS(), OpenMD::SequentialAnalyzer::doSequence(), OpenMD::RNEMD::doSwap(), OpenMD::RNEMD::doVSS(), OpenMD::DistanceFinder::find(), OpenMD::StuntDouble::getA(), OpenMD::StuntDouble::getCOM(), OpenMD::StuntDouble::getCOMvel(), OpenMD::StuntDouble::getCOMw(), OpenMD::StuntDouble::getDensity(), OpenMD::StuntDouble::getDipole(), OpenMD::RNEMD::getDividingArea(), OpenMD::StuntDouble::getElectricField(), OpenMD::StuntDouble::getEuler(), OpenMD::StuntDouble::getFlucQFrc(), OpenMD::StuntDouble::getFlucQPos(), OpenMD::StuntDouble::getFlucQVel(), OpenMD::StuntDouble::getFrc(), OpenMD::StuntDouble::getJ(), OpenMD::StuntDouble::getParticlePot(), OpenMD::CutoffGroup::getPos(), OpenMD::StuntDouble::getPos(), OpenMD::StuntDouble::getQ(), OpenMD::StuntDouble::getQuadrupole(), OpenMD::StuntDouble::getSitePotential(), OpenMD::Electrostatic::getSitePotentials(), OpenMD::StuntDouble::getTrq(), OpenMD::ShortRangeInteraction::getValue(), OpenMD::CutoffGroup::getVel(), OpenMD::StuntDouble::getVel(), OpenMD::GofXyz::initializeHistogram(), OpenMD::LipidTransVisitor::internalVisit(), OpenMD::WrappingVisitor::internalVisit(), OpenMD::ReplicateVisitor::internalVisit(), OpenMD::ForceManager::longRangeInteractions(), main(), OpenMD::NitrileFrequencyMap::NitrileFrequencyMap(), OpenMD::NPT::NPT(), OpenMD::NVT::NVT(), OpenMD::LangevinHullForceManager::postCalculation(), OpenMD::ForceManager::postCalculation(), OpenMD::ForceManager::preCalculation(), OpenMD::DensityPlot::process(), OpenMD::ObjectCount::process(), OpenMD::RippleOP::process(), OpenMD::NanoLength::process(), OpenMD::MultipoleSum::process(), OpenMD::P2OrderParameter::process(), OpenMD::NitrileFrequencyMap::process(), OpenMD::RhoR::process(), OpenMD::AngleR::process(), OpenMD::SurfaceDiffusion::process(), OpenMD::PotDiff::process(), OpenMD::BOPofR::process(), OpenMD::NanoVolume::process(), OpenMD::RadialDistrFunc::process(), OpenMD::RhoZ::process(), OpenMD::BondAngleDistribution::process(), OpenMD::SpatialStatistics::process(), OpenMD::pAngle::process(), OpenMD::CoordinationNumber::process(), OpenMD::HBondGeometric::process(), OpenMD::SCDOrderParameter::process(), OpenMD::Hxy::process(), OpenMD::TetrahedralityHBMatrix::process(), OpenMD::TetrahedralityParamXYZ::process(), OpenMD::TetrahedralityParam::process(), OpenMD::TetrahedralityParamZ::process(), OpenMD::TetrahedralityParamDens::process(), OpenMD::BondOrderParameter::process(), OpenMD::GofZ::processHistogram(), OpenMD::GofRZ::processHistogram(), OpenMD::GofR::processHistogram(), OpenMD::TwoDGofR::processHistogram(), OpenMD::GofRAngle2::processHistogram(), OpenMD::GofRAngle::processHistogram(), OpenMD::GofRTheta::processHistogram(), OpenMD::Rattle::Rattle(), OpenMD::DumpReader::readFrameProperties(), OpenMD::Electrostatic::ReciprocalSpaceSum(), OpenMD::RestraintForceManager::RestraintForceManager(), OpenMD::DirectionalAtom::setA(), OpenMD::RigidBody::setA(), OpenMD::StuntDouble::setA(), OpenMD::StuntDouble::setDensity(), OpenMD::StuntDouble::setElectricField(), OpenMD::StuntDouble::setEuler(), OpenMD::StuntDouble::setFlucQFrc(), OpenMD::StuntDouble::setFlucQPos(), OpenMD::StuntDouble::setFlucQVel(), OpenMD::StuntDouble::setFrc(), OpenMD::StuntDouble::setJ(), OpenMD::StuntDouble::setParticlePot(), OpenMD::StuntDouble::setPos(), OpenMD::StuntDouble::setSitePotential(), OpenMD::StuntDouble::setTrq(), OpenMD::StuntDouble::setVel(), OpenMD::Shake::Shake(), OpenMD::ForceManager::shortRangeInteractions(), OpenMD::TetrahedralityParamXYZ::TetrahedralityParamXYZ(), OpenMD::ThermoIntegrationForceManager::ThermoIntegrationForceManager(), OpenMD::ZconstraintForceManager::update(), OpenMD::LipidTransVisitor::update(), OpenMD::CutoffGroup::updateCOM(), OpenMD::FluctuatingChargeObjectiveFunction::value(), OpenMD::FluctuatingChargeObjectiveFunction::valueAndGradient(), OpenMD::ConstraintWriter::writeConstraintForces(), OpenMD::DumpWriter::writeFrame(), OpenMD::XYZVisitor::writeFrame(), OpenMD::ZConsWriter::writeFZ(), OpenMD::RNEMD::writeOutputFile(), OpenMD::TetrahedralityParamXYZ::writeQxyz(), OpenMD::RestWriter::writeRest(), OpenMD::ZconstraintForceManager::ZconstraintForceManager(), OpenMD::ZConsVisitor::ZConsVisitor(), and OpenMD::StuntDouble::zeroForcesAndTorques().

◆ getPrevSnapshot()

Snapshot* OpenMD::SnapshotManager::getPrevSnapshot ( )
inline

Returns the pointer of previous snapshot

Returns
the pointer of previous snapshot

Definition at line 81 of file SnapshotManager.hpp.

References previousSnapshot_.

Referenced by OpenMD::StuntDouble::addPrevDensity(), OpenMD::StuntDouble::addPrevEelectricField(), OpenMD::StuntDouble::addPrevFlucQFrc(), OpenMD::StuntDouble::addPrevFlucQPos(), OpenMD::StuntDouble::addPrevFlucQVel(), OpenMD::StuntDouble::addPrevFrc(), OpenMD::StuntDouble::addPrevParticlePot(), OpenMD::StuntDouble::addPrevSitePotential(), OpenMD::StuntDouble::addPrevTrq(), OpenMD::StuntDouble::getPrevA(), OpenMD::StuntDouble::getPrevDensity(), OpenMD::StuntDouble::getPrevDipole(), OpenMD::StuntDouble::getPrevElectricField(), OpenMD::StuntDouble::getPrevEuler(), OpenMD::StuntDouble::getPrevFlucQFrc(), OpenMD::StuntDouble::getPrevFlucQPos(), OpenMD::StuntDouble::getPrevFlucQVel(), OpenMD::StuntDouble::getPrevFrc(), OpenMD::StuntDouble::getPrevJ(), OpenMD::StuntDouble::getPrevParticlePot(), OpenMD::StuntDouble::getPrevPos(), OpenMD::StuntDouble::getPrevQ(), OpenMD::StuntDouble::getPrevQuadrupole(), OpenMD::StuntDouble::getPrevSitePotential(), OpenMD::StuntDouble::getPrevTrq(), OpenMD::ShortRangeInteraction::getPrevValue(), OpenMD::StuntDouble::getPrevVel(), OpenMD::DirectionalAtom::setPrevA(), OpenMD::RigidBody::setPrevA(), OpenMD::StuntDouble::setPrevA(), OpenMD::StuntDouble::setPrevDensity(), OpenMD::StuntDouble::setPrevElectricField(), OpenMD::StuntDouble::setPrevEuler(), OpenMD::StuntDouble::setPrevFlucQFrc(), OpenMD::StuntDouble::setPrevFlucQPos(), OpenMD::StuntDouble::setPrevFlucQVel(), OpenMD::StuntDouble::setPrevFrc(), OpenMD::StuntDouble::setPrevJ(), OpenMD::StuntDouble::setPrevParticlePot(), OpenMD::StuntDouble::setPrevPos(), OpenMD::StuntDouble::setPrevSitePotential(), OpenMD::StuntDouble::setPrevTrq(), and OpenMD::StuntDouble::setPrevVel().

◆ getSnapshot()

virtual Snapshot* OpenMD::SnapshotManager::getSnapshot ( int  id)
pure virtual

Implemented in OpenMD::SimSnapshotManager, and OpenMD::BlockSnapshotManager.

Referenced by OpenMD::StuntDouble::addDensity(), OpenMD::StuntDouble::addElectricField(), OpenMD::StuntDouble::addFlucQFrc(), OpenMD::StuntDouble::addFlucQPos(), OpenMD::StuntDouble::addFlucQVel(), OpenMD::StuntDouble::addFrc(), OpenMD::StuntDouble::addParticlePot(), OpenMD::StuntDouble::addSitePotential(), OpenMD::StuntDouble::addTrq(), advance(), OpenMD::SelectionEvaluator::compareProperty(), OpenMD::DistanceFinder::find(), OpenMD::StuntDouble::getA(), OpenMD::StuntDouble::getCOM(), OpenMD::StuntDouble::getCOMvel(), OpenMD::StuntDouble::getCOMw(), OpenMD::StuntDouble::getDensity(), OpenMD::StuntDouble::getDipole(), OpenMD::StuntDouble::getElectricField(), OpenMD::StuntDouble::getEuler(), OpenMD::StuntDouble::getFlucQFrc(), OpenMD::StuntDouble::getFlucQPos(), OpenMD::StuntDouble::getFlucQVel(), OpenMD::StuntDouble::getFrc(), OpenMD::StuntDouble::getJ(), OpenMD::StuntDouble::getParticlePot(), OpenMD::StuntDouble::getPos(), OpenMD::StuntDouble::getQ(), OpenMD::StuntDouble::getQuadrupole(), OpenMD::StuntDouble::getSitePotential(), OpenMD::StuntDouble::getTrq(), OpenMD::Bond::getValue(), OpenMD::StuntDouble::getVel(), OpenMD::DirectionalAtom::setA(), OpenMD::RigidBody::setA(), OpenMD::StuntDouble::setA(), OpenMD::StuntDouble::setDensity(), OpenMD::StuntDouble::setElectricField(), OpenMD::StuntDouble::setEuler(), OpenMD::StuntDouble::setFlucQFrc(), OpenMD::StuntDouble::setFlucQPos(), OpenMD::StuntDouble::setFlucQVel(), OpenMD::StuntDouble::setFrc(), OpenMD::StuntDouble::setJ(), OpenMD::StuntDouble::setParticlePot(), OpenMD::StuntDouble::setPos(), OpenMD::StuntDouble::setSitePotential(), OpenMD::StuntDouble::setTrq(), and OpenMD::StuntDouble::setVel().

◆ getStorageLayout()

Member Data Documentation

◆ currentSnapshot_

◆ previousSnapshot_

◆ storageLayout_

int OpenMD::SnapshotManager::storageLayout_
private

Definition at line 98 of file SnapshotManager.hpp.

Referenced by getStorageLayout().


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