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Commit 6bd73375 authored by John Chodera (MSKCC)'s avatar John Chodera (MSKCC)
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Added missing serialization for some other properties of CustomNonbondedForce.

parent 57d3e0fc
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serialization/src/CustomNonbondedForceProxy.cpp
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...@@ -47,6 +47,9 @@ void CustomNonbondedForceProxy::serialize(const void* object, SerializationNode& ...@@ -47,6 +47,9 @@ void CustomNonbondedForceProxy::serialize(const void* object, SerializationNode&
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());
node.setBoolProperty("useSwitchingFunction", force.getUseSwitchingFunction());
node.setDoubleProperty("switchingDistance", force.getSwitchingDistance());
node.setBoolProperty("useLongRangeCorrection", force.getUseLongRangeCorrection());
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++) {
perParticleParams.createChildNode("Parameter").setStringProperty("name", force.getPerParticleParameterName(i)); perParticleParams.createChildNode("Parameter").setStringProperty("name", force.getPerParticleParameterName(i));
...@@ -100,6 +103,9 @@ void* CustomNonbondedForceProxy::deserialize(const SerializationNode& node) cons ...@@ -100,6 +103,9 @@ void* CustomNonbondedForceProxy::deserialize(const SerializationNode& node) cons
CustomNonbondedForce* force = new CustomNonbondedForce(node.getStringProperty("energy")); CustomNonbondedForce* force = new CustomNonbondedForce(node.getStringProperty("energy"));
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"));
force->setSwitchingDistance(node.getDoubleProperty("switchingDistance"));
force->setUseLongRangeCorrection(node.getBoolProperty("useLongRangeCorrection"));
const SerializationNode& perParticleParams = node.getChildNode("PerParticleParameters"); const SerializationNode& perParticleParams = node.getChildNode("PerParticleParameters");
for (int i = 0; i < (int) perParticleParams.getChildren().size(); i++) { for (int i = 0; i < (int) perParticleParams.getChildren().size(); i++) {
const SerializationNode& parameter = perParticleParams.getChildren()[i]; const SerializationNode& parameter = perParticleParams.getChildren()[i];
......
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