Unverified Commit 4c6cf680 authored by Peter Eastman's avatar Peter Eastman Committed by GitHub
Browse files

Added name property to Forces (#3049)

parent 7c2e5991
...@@ -45,6 +45,7 @@ void CustomBondForceProxy::serialize(const void* object, SerializationNode& node ...@@ -45,6 +45,7 @@ void CustomBondForceProxy::serialize(const void* object, SerializationNode& node
node.setIntProperty("version", 3); node.setIntProperty("version", 3);
const CustomBondForce& force = *reinterpret_cast<const CustomBondForce*>(object); const CustomBondForce& force = *reinterpret_cast<const CustomBondForce*>(object);
node.setIntProperty("forceGroup", force.getForceGroup()); node.setIntProperty("forceGroup", force.getForceGroup());
node.setStringProperty("name", force.getName());
node.setBoolProperty("usesPeriodic", force.usesPeriodicBoundaryConditions()); node.setBoolProperty("usesPeriodic", force.usesPeriodicBoundaryConditions());
node.setStringProperty("energy", force.getEnergyFunction()); node.setStringProperty("energy", force.getEnergyFunction());
SerializationNode& perBondParams = node.createChildNode("PerBondParameters"); SerializationNode& perBondParams = node.createChildNode("PerBondParameters");
...@@ -82,6 +83,7 @@ void* CustomBondForceProxy::deserialize(const SerializationNode& node) const { ...@@ -82,6 +83,7 @@ void* CustomBondForceProxy::deserialize(const SerializationNode& node) const {
try { try {
CustomBondForce* force = new CustomBondForce(node.getStringProperty("energy")); CustomBondForce* force = new CustomBondForce(node.getStringProperty("energy"));
force->setForceGroup(node.getIntProperty("forceGroup", 0)); force->setForceGroup(node.getIntProperty("forceGroup", 0));
force->setName(node.getStringProperty("name", force->getName()));
if (version > 1) if (version > 1)
force->setUsesPeriodicBoundaryConditions(node.getBoolProperty("usesPeriodic")); force->setUsesPeriodicBoundaryConditions(node.getBoolProperty("usesPeriodic"));
const SerializationNode& perBondParams = node.getChildNode("PerBondParameters"); const SerializationNode& perBondParams = node.getChildNode("PerBondParameters");
......
...@@ -45,6 +45,7 @@ void CustomCVForceProxy::serialize(const void* object, SerializationNode& node) ...@@ -45,6 +45,7 @@ void CustomCVForceProxy::serialize(const void* object, SerializationNode& node)
node.setIntProperty("version", 0); node.setIntProperty("version", 0);
const CustomCVForce& force = *reinterpret_cast<const CustomCVForce*>(object); const CustomCVForce& force = *reinterpret_cast<const CustomCVForce*>(object);
node.setIntProperty("forceGroup", force.getForceGroup()); node.setIntProperty("forceGroup", force.getForceGroup());
node.setStringProperty("name", force.getName());
node.setStringProperty("energy", force.getEnergyFunction()); node.setStringProperty("energy", force.getEnergyFunction());
SerializationNode& globalParams = node.createChildNode("GlobalParameters"); SerializationNode& globalParams = node.createChildNode("GlobalParameters");
for (int i = 0; i < force.getNumGlobalParameters(); i++) { for (int i = 0; i < force.getNumGlobalParameters(); i++) {
...@@ -72,6 +73,7 @@ void* CustomCVForceProxy::deserialize(const SerializationNode& node) const { ...@@ -72,6 +73,7 @@ void* CustomCVForceProxy::deserialize(const SerializationNode& node) const {
try { try {
CustomCVForce* force = new CustomCVForce(node.getStringProperty("energy")); CustomCVForce* force = new CustomCVForce(node.getStringProperty("energy"));
force->setForceGroup(node.getIntProperty("forceGroup", 0)); force->setForceGroup(node.getIntProperty("forceGroup", 0));
force->setName(node.getStringProperty("name", force->getName()));
const SerializationNode& globalParams = node.getChildNode("GlobalParameters"); const SerializationNode& globalParams = node.getChildNode("GlobalParameters");
for (auto& parameter : globalParams.getChildren()) for (auto& parameter : globalParams.getChildren())
force->addGlobalParameter(parameter.getStringProperty("name"), parameter.getDoubleProperty("default")); force->addGlobalParameter(parameter.getStringProperty("name"), parameter.getDoubleProperty("default"));
......
...@@ -45,6 +45,7 @@ void CustomCentroidBondForceProxy::serialize(const void* object, SerializationNo ...@@ -45,6 +45,7 @@ void CustomCentroidBondForceProxy::serialize(const void* object, SerializationNo
node.setIntProperty("version", 3); node.setIntProperty("version", 3);
const CustomCentroidBondForce& force = *reinterpret_cast<const CustomCentroidBondForce*>(object); const CustomCentroidBondForce& force = *reinterpret_cast<const CustomCentroidBondForce*>(object);
node.setIntProperty("forceGroup", force.getForceGroup()); node.setIntProperty("forceGroup", force.getForceGroup());
node.setStringProperty("name", force.getName());
node.setBoolProperty("usesPeriodic", force.usesPeriodicBoundaryConditions()); node.setBoolProperty("usesPeriodic", force.usesPeriodicBoundaryConditions());
node.setIntProperty("groups", force.getNumGroupsPerBond()); node.setIntProperty("groups", force.getNumGroupsPerBond());
node.setStringProperty("energy", force.getEnergyFunction()); node.setStringProperty("energy", force.getEnergyFunction());
...@@ -105,6 +106,7 @@ void* CustomCentroidBondForceProxy::deserialize(const SerializationNode& node) c ...@@ -105,6 +106,7 @@ void* CustomCentroidBondForceProxy::deserialize(const SerializationNode& node) c
try { try {
CustomCentroidBondForce* force = new CustomCentroidBondForce(node.getIntProperty("groups"), node.getStringProperty("energy")); CustomCentroidBondForce* force = new CustomCentroidBondForce(node.getIntProperty("groups"), node.getStringProperty("energy"));
force->setForceGroup(node.getIntProperty("forceGroup", 0)); force->setForceGroup(node.getIntProperty("forceGroup", 0));
force->setName(node.getStringProperty("name", force->getName()));
if (version > 1) if (version > 1)
force->setUsesPeriodicBoundaryConditions(node.getBoolProperty("usesPeriodic")); force->setUsesPeriodicBoundaryConditions(node.getBoolProperty("usesPeriodic"));
const SerializationNode& perBondParams = node.getChildNode("PerBondParameters"); const SerializationNode& perBondParams = node.getChildNode("PerBondParameters");
......
...@@ -45,6 +45,7 @@ void CustomCompoundBondForceProxy::serialize(const void* object, SerializationNo ...@@ -45,6 +45,7 @@ void CustomCompoundBondForceProxy::serialize(const void* object, SerializationNo
node.setIntProperty("version", 3); node.setIntProperty("version", 3);
const CustomCompoundBondForce& force = *reinterpret_cast<const CustomCompoundBondForce*>(object); const CustomCompoundBondForce& force = *reinterpret_cast<const CustomCompoundBondForce*>(object);
node.setIntProperty("forceGroup", force.getForceGroup()); node.setIntProperty("forceGroup", force.getForceGroup());
node.setStringProperty("name", force.getName());
node.setBoolProperty("usesPeriodic", force.usesPeriodicBoundaryConditions()); node.setBoolProperty("usesPeriodic", force.usesPeriodicBoundaryConditions());
node.setIntProperty("particles", force.getNumParticlesPerBond()); node.setIntProperty("particles", force.getNumParticlesPerBond());
node.setStringProperty("energy", force.getEnergyFunction()); node.setStringProperty("energy", force.getEnergyFunction());
...@@ -92,6 +93,7 @@ void* CustomCompoundBondForceProxy::deserialize(const SerializationNode& node) c ...@@ -92,6 +93,7 @@ void* CustomCompoundBondForceProxy::deserialize(const SerializationNode& node) c
try { try {
CustomCompoundBondForce* force = new CustomCompoundBondForce(node.getIntProperty("particles"), node.getStringProperty("energy")); CustomCompoundBondForce* force = new CustomCompoundBondForce(node.getIntProperty("particles"), node.getStringProperty("energy"));
force->setForceGroup(node.getIntProperty("forceGroup", 0)); force->setForceGroup(node.getIntProperty("forceGroup", 0));
force->setName(node.getStringProperty("name", force->getName()));
if (version > 1) if (version > 1)
force->setUsesPeriodicBoundaryConditions(node.getBoolProperty("usesPeriodic")); force->setUsesPeriodicBoundaryConditions(node.getBoolProperty("usesPeriodic"));
const SerializationNode& perBondParams = node.getChildNode("PerBondParameters"); const SerializationNode& perBondParams = node.getChildNode("PerBondParameters");
......
...@@ -45,6 +45,7 @@ void CustomExternalForceProxy::serialize(const void* object, SerializationNode& ...@@ -45,6 +45,7 @@ void CustomExternalForceProxy::serialize(const void* object, SerializationNode&
node.setIntProperty("version", 1); node.setIntProperty("version", 1);
const CustomExternalForce& force = *reinterpret_cast<const CustomExternalForce*>(object); const CustomExternalForce& force = *reinterpret_cast<const CustomExternalForce*>(object);
node.setIntProperty("forceGroup", force.getForceGroup()); node.setIntProperty("forceGroup", force.getForceGroup());
node.setStringProperty("name", force.getName());
node.setStringProperty("energy", force.getEnergyFunction()); node.setStringProperty("energy", force.getEnergyFunction());
SerializationNode& perParticleParams = node.createChildNode("PerParticleParameters"); SerializationNode& perParticleParams = node.createChildNode("PerParticleParameters");
for (int i = 0; i < force.getNumPerParticleParameters(); i++) { for (int i = 0; i < force.getNumPerParticleParameters(); i++) {
...@@ -76,6 +77,7 @@ void* CustomExternalForceProxy::deserialize(const SerializationNode& node) const ...@@ -76,6 +77,7 @@ void* CustomExternalForceProxy::deserialize(const SerializationNode& node) const
try { try {
CustomExternalForce* force = new CustomExternalForce(node.getStringProperty("energy")); CustomExternalForce* force = new CustomExternalForce(node.getStringProperty("energy"));
force->setForceGroup(node.getIntProperty("forceGroup", 0)); force->setForceGroup(node.getIntProperty("forceGroup", 0));
force->setName(node.getStringProperty("name", force->getName()));
const SerializationNode& perParticleParams = node.getChildNode("PerParticleParameters"); const SerializationNode& perParticleParams = node.getChildNode("PerParticleParameters");
for (auto& parameter : perParticleParams.getChildren()) for (auto& parameter : perParticleParams.getChildren())
force->addPerParticleParameter(parameter.getStringProperty("name")); force->addPerParticleParameter(parameter.getStringProperty("name"));
......
...@@ -45,6 +45,7 @@ void CustomGBForceProxy::serialize(const void* object, SerializationNode& node) ...@@ -45,6 +45,7 @@ void CustomGBForceProxy::serialize(const void* object, SerializationNode& node)
node.setIntProperty("version", 2); node.setIntProperty("version", 2);
const CustomGBForce& force = *reinterpret_cast<const CustomGBForce*>(object); const CustomGBForce& force = *reinterpret_cast<const CustomGBForce*>(object);
node.setIntProperty("forceGroup", force.getForceGroup()); node.setIntProperty("forceGroup", force.getForceGroup());
node.setStringProperty("name", force.getName());
node.setIntProperty("method", (int) force.getNonbondedMethod()); node.setIntProperty("method", (int) force.getNonbondedMethod());
node.setDoubleProperty("cutoff", force.getCutoffDistance()); node.setDoubleProperty("cutoff", force.getCutoffDistance());
SerializationNode& perParticleParams = node.createChildNode("PerParticleParameters"); SerializationNode& perParticleParams = node.createChildNode("PerParticleParameters");
...@@ -104,6 +105,7 @@ void* CustomGBForceProxy::deserialize(const SerializationNode& node) const { ...@@ -104,6 +105,7 @@ void* CustomGBForceProxy::deserialize(const SerializationNode& node) const {
try { try {
CustomGBForce* force = new CustomGBForce(); CustomGBForce* force = new CustomGBForce();
force->setForceGroup(node.getIntProperty("forceGroup", 0)); force->setForceGroup(node.getIntProperty("forceGroup", 0));
force->setName(node.getStringProperty("name", force->getName()));
force->setNonbondedMethod((CustomGBForce::NonbondedMethod) node.getIntProperty("method")); force->setNonbondedMethod((CustomGBForce::NonbondedMethod) node.getIntProperty("method"));
force->setCutoffDistance(node.getDoubleProperty("cutoff")); force->setCutoffDistance(node.getDoubleProperty("cutoff"));
const SerializationNode& perParticleParams = node.getChildNode("PerParticleParameters"); const SerializationNode& perParticleParams = node.getChildNode("PerParticleParameters");
......
...@@ -45,6 +45,7 @@ void CustomHbondForceProxy::serialize(const void* object, SerializationNode& nod ...@@ -45,6 +45,7 @@ void CustomHbondForceProxy::serialize(const void* object, SerializationNode& nod
node.setIntProperty("version", 1); node.setIntProperty("version", 1);
const CustomHbondForce& force = *reinterpret_cast<const CustomHbondForce*>(object); const CustomHbondForce& force = *reinterpret_cast<const CustomHbondForce*>(object);
node.setIntProperty("forceGroup", force.getForceGroup()); node.setIntProperty("forceGroup", force.getForceGroup());
node.setStringProperty("name", force.getName());
node.setStringProperty("energy", force.getEnergyFunction()); node.setStringProperty("energy", force.getEnergyFunction());
node.setIntProperty("method", (int) force.getNonbondedMethod()); node.setIntProperty("method", (int) force.getNonbondedMethod());
node.setDoubleProperty("cutoff", force.getCutoffDistance()); node.setDoubleProperty("cutoff", force.getCutoffDistance());
...@@ -104,6 +105,7 @@ void* CustomHbondForceProxy::deserialize(const SerializationNode& node) const { ...@@ -104,6 +105,7 @@ void* CustomHbondForceProxy::deserialize(const SerializationNode& node) const {
try { try {
CustomHbondForce* force = new CustomHbondForce(node.getStringProperty("energy")); CustomHbondForce* force = new CustomHbondForce(node.getStringProperty("energy"));
force->setForceGroup(node.getIntProperty("forceGroup", 0)); force->setForceGroup(node.getIntProperty("forceGroup", 0));
force->setName(node.getStringProperty("name", force->getName()));
force->setNonbondedMethod((CustomHbondForce::NonbondedMethod) node.getIntProperty("method")); force->setNonbondedMethod((CustomHbondForce::NonbondedMethod) node.getIntProperty("method"));
force->setCutoffDistance(node.getDoubleProperty("cutoff")); force->setCutoffDistance(node.getDoubleProperty("cutoff"));
const SerializationNode& perDonorParams = node.getChildNode("PerDonorParameters"); const SerializationNode& perDonorParams = node.getChildNode("PerDonorParameters");
......
...@@ -45,6 +45,7 @@ void CustomManyParticleForceProxy::serialize(const void* object, SerializationNo ...@@ -45,6 +45,7 @@ void CustomManyParticleForceProxy::serialize(const void* object, SerializationNo
node.setIntProperty("version", 1); node.setIntProperty("version", 1);
const CustomManyParticleForce& force = *reinterpret_cast<const CustomManyParticleForce*>(object); const CustomManyParticleForce& force = *reinterpret_cast<const CustomManyParticleForce*>(object);
node.setIntProperty("forceGroup", force.getForceGroup()); node.setIntProperty("forceGroup", force.getForceGroup());
node.setStringProperty("name", force.getName());
node.setIntProperty("particlesPerSet", force.getNumParticlesPerSet()); node.setIntProperty("particlesPerSet", force.getNumParticlesPerSet());
node.setStringProperty("energy", force.getEnergyFunction()); node.setStringProperty("energy", force.getEnergyFunction());
node.setIntProperty("method", (int) force.getNonbondedMethod()); node.setIntProperty("method", (int) force.getNonbondedMethod());
...@@ -104,6 +105,7 @@ void* CustomManyParticleForceProxy::deserialize(const SerializationNode& node) c ...@@ -104,6 +105,7 @@ void* CustomManyParticleForceProxy::deserialize(const SerializationNode& node) c
try { try {
CustomManyParticleForce* force = new CustomManyParticleForce(node.getIntProperty("particlesPerSet"), node.getStringProperty("energy")); CustomManyParticleForce* force = new CustomManyParticleForce(node.getIntProperty("particlesPerSet"), node.getStringProperty("energy"));
force->setForceGroup(node.getIntProperty("forceGroup", 0)); force->setForceGroup(node.getIntProperty("forceGroup", 0));
force->setName(node.getStringProperty("name", force->getName()));
force->setNonbondedMethod((CustomManyParticleForce::NonbondedMethod) node.getIntProperty("method")); force->setNonbondedMethod((CustomManyParticleForce::NonbondedMethod) node.getIntProperty("method"));
force->setPermutationMode((CustomManyParticleForce::PermutationMode) node.getIntProperty("permutationMode")); force->setPermutationMode((CustomManyParticleForce::PermutationMode) node.getIntProperty("permutationMode"));
force->setCutoffDistance(node.getDoubleProperty("cutoff")); force->setCutoffDistance(node.getDoubleProperty("cutoff"));
......
...@@ -45,6 +45,7 @@ void CustomNonbondedForceProxy::serialize(const void* object, SerializationNode& ...@@ -45,6 +45,7 @@ void CustomNonbondedForceProxy::serialize(const void* object, SerializationNode&
node.setIntProperty("version", 2); node.setIntProperty("version", 2);
const CustomNonbondedForce& force = *reinterpret_cast<const CustomNonbondedForce*>(object); const CustomNonbondedForce& force = *reinterpret_cast<const CustomNonbondedForce*>(object);
node.setIntProperty("forceGroup", force.getForceGroup()); node.setIntProperty("forceGroup", force.getForceGroup());
node.setStringProperty("name", force.getName());
node.setStringProperty("energy", force.getEnergyFunction()); node.setStringProperty("energy", force.getEnergyFunction());
node.setIntProperty("method", (int) force.getNonbondedMethod()); node.setIntProperty("method", (int) force.getNonbondedMethod());
node.setDoubleProperty("cutoff", force.getCutoffDistance()); node.setDoubleProperty("cutoff", force.getCutoffDistance());
...@@ -108,6 +109,7 @@ void* CustomNonbondedForceProxy::deserialize(const SerializationNode& node) cons ...@@ -108,6 +109,7 @@ void* CustomNonbondedForceProxy::deserialize(const SerializationNode& node) cons
try { try {
CustomNonbondedForce* force = new CustomNonbondedForce(node.getStringProperty("energy")); CustomNonbondedForce* force = new CustomNonbondedForce(node.getStringProperty("energy"));
force->setForceGroup(node.getIntProperty("forceGroup", 0)); force->setForceGroup(node.getIntProperty("forceGroup", 0));
force->setName(node.getStringProperty("name", force->getName()));
force->setNonbondedMethod((CustomNonbondedForce::NonbondedMethod) node.getIntProperty("method")); force->setNonbondedMethod((CustomNonbondedForce::NonbondedMethod) node.getIntProperty("method"));
force->setCutoffDistance(node.getDoubleProperty("cutoff")); force->setCutoffDistance(node.getDoubleProperty("cutoff"));
force->setUseSwitchingFunction(node.getBoolProperty("useSwitchingFunction", false)); force->setUseSwitchingFunction(node.getBoolProperty("useSwitchingFunction", false));
......
...@@ -45,6 +45,7 @@ void CustomTorsionForceProxy::serialize(const void* object, SerializationNode& n ...@@ -45,6 +45,7 @@ void CustomTorsionForceProxy::serialize(const void* object, SerializationNode& n
node.setIntProperty("version", 3); node.setIntProperty("version", 3);
const CustomTorsionForce& force = *reinterpret_cast<const CustomTorsionForce*>(object); const CustomTorsionForce& force = *reinterpret_cast<const CustomTorsionForce*>(object);
node.setIntProperty("forceGroup", force.getForceGroup()); node.setIntProperty("forceGroup", force.getForceGroup());
node.setStringProperty("name", force.getName());
node.setBoolProperty("usesPeriodic", force.usesPeriodicBoundaryConditions()); node.setBoolProperty("usesPeriodic", force.usesPeriodicBoundaryConditions());
node.setStringProperty("energy", force.getEnergyFunction()); node.setStringProperty("energy", force.getEnergyFunction());
SerializationNode& perTorsionParams = node.createChildNode("PerTorsionParameters"); SerializationNode& perTorsionParams = node.createChildNode("PerTorsionParameters");
...@@ -82,6 +83,7 @@ void* CustomTorsionForceProxy::deserialize(const SerializationNode& node) const ...@@ -82,6 +83,7 @@ void* CustomTorsionForceProxy::deserialize(const SerializationNode& node) const
try { try {
CustomTorsionForce* force = new CustomTorsionForce(node.getStringProperty("energy")); CustomTorsionForce* force = new CustomTorsionForce(node.getStringProperty("energy"));
force->setForceGroup(node.getIntProperty("forceGroup", 0)); force->setForceGroup(node.getIntProperty("forceGroup", 0));
force->setName(node.getStringProperty("name", force->getName()));
if (version > 1) if (version > 1)
force->setUsesPeriodicBoundaryConditions(node.getBoolProperty("usesPeriodic")); force->setUsesPeriodicBoundaryConditions(node.getBoolProperty("usesPeriodic"));
const SerializationNode& perTorsionParams = node.getChildNode("PerTorsionParameters"); const SerializationNode& perTorsionParams = node.getChildNode("PerTorsionParameters");
......
...@@ -45,6 +45,7 @@ void GBSAOBCForceProxy::serialize(const void* object, SerializationNode& node) c ...@@ -45,6 +45,7 @@ void GBSAOBCForceProxy::serialize(const void* object, SerializationNode& node) c
node.setIntProperty("version", 2); node.setIntProperty("version", 2);
const GBSAOBCForce& force = *reinterpret_cast<const GBSAOBCForce*>(object); const GBSAOBCForce& force = *reinterpret_cast<const GBSAOBCForce*>(object);
node.setIntProperty("forceGroup", force.getForceGroup()); node.setIntProperty("forceGroup", force.getForceGroup());
node.setStringProperty("name", force.getName());
node.setIntProperty("method", (int) force.getNonbondedMethod()); node.setIntProperty("method", (int) force.getNonbondedMethod());
node.setDoubleProperty("cutoff", force.getCutoffDistance()); node.setDoubleProperty("cutoff", force.getCutoffDistance());
node.setDoubleProperty("soluteDielectric", force.getSoluteDielectric()); node.setDoubleProperty("soluteDielectric", force.getSoluteDielectric());
...@@ -65,6 +66,7 @@ void* GBSAOBCForceProxy::deserialize(const SerializationNode& node) const { ...@@ -65,6 +66,7 @@ void* GBSAOBCForceProxy::deserialize(const SerializationNode& node) const {
GBSAOBCForce* force = new GBSAOBCForce(); GBSAOBCForce* force = new GBSAOBCForce();
try { try {
force->setForceGroup(node.getIntProperty("forceGroup", 0)); force->setForceGroup(node.getIntProperty("forceGroup", 0));
force->setName(node.getStringProperty("name", force->getName()));
force->setNonbondedMethod((GBSAOBCForce::NonbondedMethod) node.getIntProperty("method")); force->setNonbondedMethod((GBSAOBCForce::NonbondedMethod) node.getIntProperty("method"));
force->setCutoffDistance(node.getDoubleProperty("cutoff")); force->setCutoffDistance(node.getDoubleProperty("cutoff"));
force->setSoluteDielectric(node.getDoubleProperty("soluteDielectric")); force->setSoluteDielectric(node.getDoubleProperty("soluteDielectric"));
......
...@@ -45,6 +45,7 @@ void GayBerneForceProxy::serialize(const void* object, SerializationNode& node) ...@@ -45,6 +45,7 @@ void GayBerneForceProxy::serialize(const void* object, SerializationNode& node)
node.setIntProperty("version", 1); node.setIntProperty("version", 1);
const GayBerneForce& force = *reinterpret_cast<const GayBerneForce*>(object); const GayBerneForce& force = *reinterpret_cast<const GayBerneForce*>(object);
node.setIntProperty("forceGroup", force.getForceGroup()); node.setIntProperty("forceGroup", force.getForceGroup());
node.setStringProperty("name", force.getName());
node.setIntProperty("method", (int) force.getNonbondedMethod()); node.setIntProperty("method", (int) force.getNonbondedMethod());
node.setDoubleProperty("cutoff", force.getCutoffDistance()); node.setDoubleProperty("cutoff", force.getCutoffDistance());
node.setBoolProperty("useSwitchingFunction", force.getUseSwitchingFunction()); node.setBoolProperty("useSwitchingFunction", force.getUseSwitchingFunction());
...@@ -73,6 +74,7 @@ void* GayBerneForceProxy::deserialize(const SerializationNode& node) const { ...@@ -73,6 +74,7 @@ void* GayBerneForceProxy::deserialize(const SerializationNode& node) const {
GayBerneForce* force = new GayBerneForce(); GayBerneForce* force = new GayBerneForce();
try { try {
force->setForceGroup(node.getIntProperty("forceGroup", 0)); force->setForceGroup(node.getIntProperty("forceGroup", 0));
force->setName(node.getStringProperty("name", force->getName()));
force->setNonbondedMethod((GayBerneForce::NonbondedMethod) node.getIntProperty("method")); force->setNonbondedMethod((GayBerneForce::NonbondedMethod) node.getIntProperty("method"));
force->setCutoffDistance(node.getDoubleProperty("cutoff")); force->setCutoffDistance(node.getDoubleProperty("cutoff"));
force->setUseSwitchingFunction(node.getBoolProperty("useSwitchingFunction", false)); force->setUseSwitchingFunction(node.getBoolProperty("useSwitchingFunction", false));
......
...@@ -45,6 +45,7 @@ void HarmonicAngleForceProxy::serialize(const void* object, SerializationNode& n ...@@ -45,6 +45,7 @@ void HarmonicAngleForceProxy::serialize(const void* object, SerializationNode& n
node.setIntProperty("version", 2); node.setIntProperty("version", 2);
const HarmonicAngleForce& force = *reinterpret_cast<const HarmonicAngleForce*>(object); const HarmonicAngleForce& force = *reinterpret_cast<const HarmonicAngleForce*>(object);
node.setIntProperty("forceGroup", force.getForceGroup()); node.setIntProperty("forceGroup", force.getForceGroup());
node.setStringProperty("name", force.getName());
node.setBoolProperty("usesPeriodic", force.usesPeriodicBoundaryConditions()); node.setBoolProperty("usesPeriodic", force.usesPeriodicBoundaryConditions());
SerializationNode& bonds = node.createChildNode("Angles"); SerializationNode& bonds = node.createChildNode("Angles");
for (int i = 0; i < force.getNumAngles(); i++) { for (int i = 0; i < force.getNumAngles(); i++) {
...@@ -62,6 +63,7 @@ void* HarmonicAngleForceProxy::deserialize(const SerializationNode& node) const ...@@ -62,6 +63,7 @@ void* HarmonicAngleForceProxy::deserialize(const SerializationNode& node) const
HarmonicAngleForce* force = new HarmonicAngleForce(); HarmonicAngleForce* force = new HarmonicAngleForce();
try { try {
force->setForceGroup(node.getIntProperty("forceGroup", 0)); force->setForceGroup(node.getIntProperty("forceGroup", 0));
force->setName(node.getStringProperty("name", force->getName()));
if (version > 1) if (version > 1)
force->setUsesPeriodicBoundaryConditions(node.getBoolProperty("usesPeriodic")); force->setUsesPeriodicBoundaryConditions(node.getBoolProperty("usesPeriodic"));
const SerializationNode& angles = node.getChildNode("Angles"); const SerializationNode& angles = node.getChildNode("Angles");
......
...@@ -45,6 +45,7 @@ void HarmonicBondForceProxy::serialize(const void* object, SerializationNode& no ...@@ -45,6 +45,7 @@ void HarmonicBondForceProxy::serialize(const void* object, SerializationNode& no
node.setIntProperty("version", 2); node.setIntProperty("version", 2);
const HarmonicBondForce& force = *reinterpret_cast<const HarmonicBondForce*>(object); const HarmonicBondForce& force = *reinterpret_cast<const HarmonicBondForce*>(object);
node.setIntProperty("forceGroup", force.getForceGroup()); node.setIntProperty("forceGroup", force.getForceGroup());
node.setStringProperty("name", force.getName());
node.setBoolProperty("usesPeriodic", force.usesPeriodicBoundaryConditions()); node.setBoolProperty("usesPeriodic", force.usesPeriodicBoundaryConditions());
SerializationNode& bonds = node.createChildNode("Bonds"); SerializationNode& bonds = node.createChildNode("Bonds");
for (int i = 0; i < force.getNumBonds(); i++) { for (int i = 0; i < force.getNumBonds(); i++) {
...@@ -62,6 +63,7 @@ void* HarmonicBondForceProxy::deserialize(const SerializationNode& node) const { ...@@ -62,6 +63,7 @@ void* HarmonicBondForceProxy::deserialize(const SerializationNode& node) const {
HarmonicBondForce* force = new HarmonicBondForce(); HarmonicBondForce* force = new HarmonicBondForce();
try { try {
force->setForceGroup(node.getIntProperty("forceGroup", 0)); force->setForceGroup(node.getIntProperty("forceGroup", 0));
force->setName(node.getStringProperty("name", force->getName()));
if (version > 1) if (version > 1)
force->setUsesPeriodicBoundaryConditions(node.getBoolProperty("usesPeriodic")); force->setUsesPeriodicBoundaryConditions(node.getBoolProperty("usesPeriodic"));
const SerializationNode& bonds = node.getChildNode("Bonds"); const SerializationNode& bonds = node.getChildNode("Bonds");
......
...@@ -45,6 +45,7 @@ void MonteCarloAnisotropicBarostatProxy::serialize(const void* object, Serializa ...@@ -45,6 +45,7 @@ void MonteCarloAnisotropicBarostatProxy::serialize(const void* object, Serializa
node.setIntProperty("version", 1); node.setIntProperty("version", 1);
const MonteCarloAnisotropicBarostat& force = *reinterpret_cast<const MonteCarloAnisotropicBarostat*>(object); const MonteCarloAnisotropicBarostat& force = *reinterpret_cast<const MonteCarloAnisotropicBarostat*>(object);
node.setIntProperty("forceGroup", force.getForceGroup()); node.setIntProperty("forceGroup", force.getForceGroup());
node.setStringProperty("name", force.getName());
Vec3 pressure = force.getDefaultPressure(); Vec3 pressure = force.getDefaultPressure();
node.setDoubleProperty("pressurex", pressure[0]); node.setDoubleProperty("pressurex", pressure[0]);
node.setDoubleProperty("pressurey", pressure[1]); node.setDoubleProperty("pressurey", pressure[1]);
...@@ -66,6 +67,7 @@ void* MonteCarloAnisotropicBarostatProxy::deserialize(const SerializationNode& n ...@@ -66,6 +67,7 @@ void* MonteCarloAnisotropicBarostatProxy::deserialize(const SerializationNode& n
force = new MonteCarloAnisotropicBarostat(pressure, node.getDoubleProperty("temperature"), node.getBoolProperty("scalex"), force = new MonteCarloAnisotropicBarostat(pressure, node.getDoubleProperty("temperature"), node.getBoolProperty("scalex"),
node.getBoolProperty("scaley"), node.getBoolProperty("scalez"), node.getIntProperty("frequency")); node.getBoolProperty("scaley"), node.getBoolProperty("scalez"), node.getIntProperty("frequency"));
force->setForceGroup(node.getIntProperty("forceGroup", 0)); force->setForceGroup(node.getIntProperty("forceGroup", 0));
force->setName(node.getStringProperty("name", force->getName()));
force->setRandomNumberSeed(node.getIntProperty("randomSeed")); force->setRandomNumberSeed(node.getIntProperty("randomSeed"));
return force; return force;
} }
......
...@@ -45,6 +45,7 @@ void MonteCarloBarostatProxy::serialize(const void* object, SerializationNode& n ...@@ -45,6 +45,7 @@ void MonteCarloBarostatProxy::serialize(const void* object, SerializationNode& n
node.setIntProperty("version", 1); node.setIntProperty("version", 1);
const MonteCarloBarostat& force = *reinterpret_cast<const MonteCarloBarostat*>(object); const MonteCarloBarostat& force = *reinterpret_cast<const MonteCarloBarostat*>(object);
node.setIntProperty("forceGroup", force.getForceGroup()); node.setIntProperty("forceGroup", force.getForceGroup());
node.setStringProperty("name", force.getName());
node.setDoubleProperty("pressure", force.getDefaultPressure()); node.setDoubleProperty("pressure", force.getDefaultPressure());
node.setDoubleProperty("temperature", force.getDefaultTemperature()); node.setDoubleProperty("temperature", force.getDefaultTemperature());
node.setIntProperty("frequency", force.getFrequency()); node.setIntProperty("frequency", force.getFrequency());
...@@ -58,6 +59,7 @@ void* MonteCarloBarostatProxy::deserialize(const SerializationNode& node) const ...@@ -58,6 +59,7 @@ void* MonteCarloBarostatProxy::deserialize(const SerializationNode& node) const
try { try {
force = new MonteCarloBarostat(node.getDoubleProperty("pressure"), node.getDoubleProperty("temperature"), node.getIntProperty("frequency")); force = new MonteCarloBarostat(node.getDoubleProperty("pressure"), node.getDoubleProperty("temperature"), node.getIntProperty("frequency"));
force->setForceGroup(node.getIntProperty("forceGroup", 0)); force->setForceGroup(node.getIntProperty("forceGroup", 0));
force->setName(node.getStringProperty("name", force->getName()));
force->setRandomNumberSeed(node.getIntProperty("randomSeed")); force->setRandomNumberSeed(node.getIntProperty("randomSeed"));
return force; return force;
} }
......
...@@ -45,6 +45,7 @@ void MonteCarloMembraneBarostatProxy::serialize(const void* object, Serializatio ...@@ -45,6 +45,7 @@ void MonteCarloMembraneBarostatProxy::serialize(const void* object, Serializatio
node.setIntProperty("version", 1); node.setIntProperty("version", 1);
const MonteCarloMembraneBarostat& force = *reinterpret_cast<const MonteCarloMembraneBarostat*>(object); const MonteCarloMembraneBarostat& force = *reinterpret_cast<const MonteCarloMembraneBarostat*>(object);
node.setIntProperty("forceGroup", force.getForceGroup()); node.setIntProperty("forceGroup", force.getForceGroup());
node.setStringProperty("name", force.getName());
node.setDoubleProperty("pressure", force.getDefaultPressure()); node.setDoubleProperty("pressure", force.getDefaultPressure());
node.setDoubleProperty("surfaceTension", force.getDefaultSurfaceTension()); node.setDoubleProperty("surfaceTension", force.getDefaultSurfaceTension());
node.setDoubleProperty("temperature", force.getDefaultTemperature()); node.setDoubleProperty("temperature", force.getDefaultTemperature());
...@@ -64,6 +65,7 @@ void* MonteCarloMembraneBarostatProxy::deserialize(const SerializationNode& node ...@@ -64,6 +65,7 @@ void* MonteCarloMembraneBarostatProxy::deserialize(const SerializationNode& node
force = new MonteCarloMembraneBarostat(node.getDoubleProperty("pressure"), node.getDoubleProperty("surfaceTension"), force = new MonteCarloMembraneBarostat(node.getDoubleProperty("pressure"), node.getDoubleProperty("surfaceTension"),
node.getDoubleProperty("temperature"), xymode, zmode, node.getIntProperty("frequency")); node.getDoubleProperty("temperature"), xymode, zmode, node.getIntProperty("frequency"));
force->setForceGroup(node.getIntProperty("forceGroup", 0)); force->setForceGroup(node.getIntProperty("forceGroup", 0));
force->setName(node.getStringProperty("name", force->getName()));
force->setRandomNumberSeed(node.getIntProperty("randomSeed")); force->setRandomNumberSeed(node.getIntProperty("randomSeed"));
return force; return force;
} }
......
...@@ -45,6 +45,7 @@ void NonbondedForceProxy::serialize(const void* object, SerializationNode& node) ...@@ -45,6 +45,7 @@ void NonbondedForceProxy::serialize(const void* object, SerializationNode& node)
node.setIntProperty("version", 4); node.setIntProperty("version", 4);
const NonbondedForce& force = *reinterpret_cast<const NonbondedForce*>(object); const NonbondedForce& force = *reinterpret_cast<const NonbondedForce*>(object);
node.setIntProperty("forceGroup", force.getForceGroup()); node.setIntProperty("forceGroup", force.getForceGroup());
node.setStringProperty("name", force.getName());
node.setIntProperty("method", (int) force.getNonbondedMethod()); node.setIntProperty("method", (int) force.getNonbondedMethod());
node.setDoubleProperty("cutoff", force.getCutoffDistance()); node.setDoubleProperty("cutoff", force.getCutoffDistance());
node.setBoolProperty("useSwitchingFunction", force.getUseSwitchingFunction()); node.setBoolProperty("useSwitchingFunction", force.getUseSwitchingFunction());
...@@ -107,6 +108,7 @@ void* NonbondedForceProxy::deserialize(const SerializationNode& node) const { ...@@ -107,6 +108,7 @@ void* NonbondedForceProxy::deserialize(const SerializationNode& node) const {
NonbondedForce* force = new NonbondedForce(); NonbondedForce* force = new NonbondedForce();
try { try {
force->setForceGroup(node.getIntProperty("forceGroup", 0)); force->setForceGroup(node.getIntProperty("forceGroup", 0));
force->setName(node.getStringProperty("name", force->getName()));
force->setNonbondedMethod((NonbondedForce::NonbondedMethod) node.getIntProperty("method")); force->setNonbondedMethod((NonbondedForce::NonbondedMethod) node.getIntProperty("method"));
force->setCutoffDistance(node.getDoubleProperty("cutoff")); force->setCutoffDistance(node.getDoubleProperty("cutoff"));
force->setUseSwitchingFunction(node.getBoolProperty("useSwitchingFunction", false)); force->setUseSwitchingFunction(node.getBoolProperty("useSwitchingFunction", false));
......
...@@ -45,6 +45,7 @@ void PeriodicTorsionForceProxy::serialize(const void* object, SerializationNode& ...@@ -45,6 +45,7 @@ void PeriodicTorsionForceProxy::serialize(const void* object, SerializationNode&
node.setIntProperty("version", 2); node.setIntProperty("version", 2);
const PeriodicTorsionForce& force = *reinterpret_cast<const PeriodicTorsionForce*>(object); const PeriodicTorsionForce& force = *reinterpret_cast<const PeriodicTorsionForce*>(object);
node.setIntProperty("forceGroup", force.getForceGroup()); node.setIntProperty("forceGroup", force.getForceGroup());
node.setStringProperty("name", force.getName());
node.setBoolProperty("usesPeriodic", force.usesPeriodicBoundaryConditions()); node.setBoolProperty("usesPeriodic", force.usesPeriodicBoundaryConditions());
SerializationNode& torsions = node.createChildNode("Torsions"); SerializationNode& torsions = node.createChildNode("Torsions");
for (int i = 0; i < force.getNumTorsions(); i++) { for (int i = 0; i < force.getNumTorsions(); i++) {
...@@ -62,6 +63,7 @@ void* PeriodicTorsionForceProxy::deserialize(const SerializationNode& node) cons ...@@ -62,6 +63,7 @@ void* PeriodicTorsionForceProxy::deserialize(const SerializationNode& node) cons
PeriodicTorsionForce* force = new PeriodicTorsionForce(); PeriodicTorsionForce* force = new PeriodicTorsionForce();
try { try {
force->setForceGroup(node.getIntProperty("forceGroup", 0)); force->setForceGroup(node.getIntProperty("forceGroup", 0));
force->setName(node.getStringProperty("name", force->getName()));
if (version > 1) if (version > 1)
force->setUsesPeriodicBoundaryConditions(node.getBoolProperty("usesPeriodic")); force->setUsesPeriodicBoundaryConditions(node.getBoolProperty("usesPeriodic"));
const SerializationNode& torsions = node.getChildNode("Torsions"); const SerializationNode& torsions = node.getChildNode("Torsions");
......
...@@ -45,6 +45,7 @@ void RBTorsionForceProxy::serialize(const void* object, SerializationNode& node) ...@@ -45,6 +45,7 @@ void RBTorsionForceProxy::serialize(const void* object, SerializationNode& node)
node.setIntProperty("version", 2); node.setIntProperty("version", 2);
const RBTorsionForce& force = *reinterpret_cast<const RBTorsionForce*>(object); const RBTorsionForce& force = *reinterpret_cast<const RBTorsionForce*>(object);
node.setIntProperty("forceGroup", force.getForceGroup()); node.setIntProperty("forceGroup", force.getForceGroup());
node.setStringProperty("name", force.getName());
node.setBoolProperty("usesPeriodic", force.usesPeriodicBoundaryConditions()); node.setBoolProperty("usesPeriodic", force.usesPeriodicBoundaryConditions());
SerializationNode& torsions = node.createChildNode("Torsions"); SerializationNode& torsions = node.createChildNode("Torsions");
for (int i = 0; i < force.getNumTorsions(); i++) { for (int i = 0; i < force.getNumTorsions(); i++) {
...@@ -62,6 +63,7 @@ void* RBTorsionForceProxy::deserialize(const SerializationNode& node) const { ...@@ -62,6 +63,7 @@ void* RBTorsionForceProxy::deserialize(const SerializationNode& node) const {
RBTorsionForce* force = new RBTorsionForce(); RBTorsionForce* force = new RBTorsionForce();
try { try {
force->setForceGroup(node.getIntProperty("forceGroup", 0)); force->setForceGroup(node.getIntProperty("forceGroup", 0));
force->setName(node.getStringProperty("name", force->getName()));
if (version > 1) if (version > 1)
force->setUsesPeriodicBoundaryConditions(node.getBoolProperty("usesPeriodic")); force->setUsesPeriodicBoundaryConditions(node.getBoolProperty("usesPeriodic"));
const SerializationNode& torsions = node.getChildNode("Torsions"); const SerializationNode& torsions = node.getChildNode("Torsions");
......
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