Unverified Commit c24c619e authored by Peter Eastman's avatar Peter Eastman Committed by GitHub
Browse files

Code cleanup (#5127)

parent b1a5324c
...@@ -50,7 +50,5 @@ double CustomCPPForceImpl::calcForcesAndEnergy(ContextImpl& context, bool includ ...@@ -50,7 +50,5 @@ double CustomCPPForceImpl::calcForcesAndEnergy(ContextImpl& context, bool includ
} }
vector<string> CustomCPPForceImpl::getKernelNames() { vector<string> CustomCPPForceImpl::getKernelNames() {
vector<string> names; return {CalcCustomCPPForceKernel::Name()};
names.push_back(CalcCustomCPPForceKernel::Name());
return names;
} }
...@@ -85,9 +85,7 @@ double CustomCVForceImpl::calcForcesAndEnergy(ContextImpl& context, bool include ...@@ -85,9 +85,7 @@ double CustomCVForceImpl::calcForcesAndEnergy(ContextImpl& context, bool include
} }
vector<string> CustomCVForceImpl::getKernelNames() { vector<string> CustomCVForceImpl::getKernelNames() {
vector<string> names; return {CalcCustomCVForceKernel::Name()};
names.push_back(CalcCustomCVForceKernel::Name());
return names;
} }
vector<pair<int, int> > CustomCVForceImpl::getBondedParticles() const { vector<pair<int, int> > CustomCVForceImpl::getBondedParticles() const {
......
...@@ -125,9 +125,7 @@ double CustomCentroidBondForceImpl::calcForcesAndEnergy(ContextImpl& context, bo ...@@ -125,9 +125,7 @@ double CustomCentroidBondForceImpl::calcForcesAndEnergy(ContextImpl& context, bo
} }
vector<string> CustomCentroidBondForceImpl::getKernelNames() { vector<string> CustomCentroidBondForceImpl::getKernelNames() {
vector<string> names; return {CalcCustomCentroidBondForceKernel::Name()};
names.push_back(CalcCustomCentroidBondForceKernel::Name());
return names;
} }
map<string, double> CustomCentroidBondForceImpl::getDefaultParameters() { map<string, double> CustomCentroidBondForceImpl::getDefaultParameters() {
......
...@@ -111,9 +111,7 @@ double CustomCompoundBondForceImpl::calcForcesAndEnergy(ContextImpl& context, bo ...@@ -111,9 +111,7 @@ double CustomCompoundBondForceImpl::calcForcesAndEnergy(ContextImpl& context, bo
} }
vector<string> CustomCompoundBondForceImpl::getKernelNames() { vector<string> CustomCompoundBondForceImpl::getKernelNames() {
vector<string> names; return {CalcCustomCompoundBondForceKernel::Name()};
names.push_back(CalcCustomCompoundBondForceKernel::Name());
return names;
} }
map<string, double> CustomCompoundBondForceImpl::getDefaultParameters() { map<string, double> CustomCompoundBondForceImpl::getDefaultParameters() {
......
...@@ -82,9 +82,7 @@ double CustomExternalForceImpl::calcForcesAndEnergy(ContextImpl& context, bool i ...@@ -82,9 +82,7 @@ double CustomExternalForceImpl::calcForcesAndEnergy(ContextImpl& context, bool i
} }
vector<string> CustomExternalForceImpl::getKernelNames() { vector<string> CustomExternalForceImpl::getKernelNames() {
vector<string> names; return {CalcCustomExternalForceKernel::Name()};
names.push_back(CalcCustomExternalForceKernel::Name());
return names;
} }
map<string, double> CustomExternalForceImpl::getDefaultParameters() { map<string, double> CustomExternalForceImpl::getDefaultParameters() {
......
...@@ -112,9 +112,7 @@ double CustomGBForceImpl::calcForcesAndEnergy(ContextImpl& context, bool include ...@@ -112,9 +112,7 @@ double CustomGBForceImpl::calcForcesAndEnergy(ContextImpl& context, bool include
} }
vector<string> CustomGBForceImpl::getKernelNames() { vector<string> CustomGBForceImpl::getKernelNames() {
vector<string> names; return {CalcCustomGBForceKernel::Name()};
names.push_back(CalcCustomGBForceKernel::Name());
return names;
} }
map<string, double> CustomGBForceImpl::getDefaultParameters() { map<string, double> CustomGBForceImpl::getDefaultParameters() {
......
...@@ -185,9 +185,7 @@ double CustomHbondForceImpl::calcForcesAndEnergy(ContextImpl& context, bool incl ...@@ -185,9 +185,7 @@ double CustomHbondForceImpl::calcForcesAndEnergy(ContextImpl& context, bool incl
} }
vector<string> CustomHbondForceImpl::getKernelNames() { vector<string> CustomHbondForceImpl::getKernelNames() {
vector<string> names; return {CalcCustomHbondForceKernel::Name()};
names.push_back(CalcCustomHbondForceKernel::Name());
return names;
} }
map<string, double> CustomHbondForceImpl::getDefaultParameters() { map<string, double> CustomHbondForceImpl::getDefaultParameters() {
......
...@@ -98,9 +98,7 @@ void CustomIntegrator::stateChanged(State::DataType changed) { ...@@ -98,9 +98,7 @@ void CustomIntegrator::stateChanged(State::DataType changed) {
} }
vector<string> CustomIntegrator::getKernelNames() { vector<string> CustomIntegrator::getKernelNames() {
vector<string> names; return {IntegrateCustomStepKernel::Name()};
names.push_back(IntegrateCustomStepKernel::Name());
return names;
} }
double CustomIntegrator::computeKineticEnergy() { double CustomIntegrator::computeKineticEnergy() {
......
...@@ -141,9 +141,7 @@ double CustomManyParticleForceImpl::calcForcesAndEnergy(ContextImpl& context, bo ...@@ -141,9 +141,7 @@ double CustomManyParticleForceImpl::calcForcesAndEnergy(ContextImpl& context, bo
} }
vector<string> CustomManyParticleForceImpl::getKernelNames() { vector<string> CustomManyParticleForceImpl::getKernelNames() {
vector<string> names; return {CalcCustomManyParticleForceKernel::Name()};
names.push_back(CalcCustomManyParticleForceKernel::Name());
return names;
} }
map<string, double> CustomManyParticleForceImpl::getDefaultParameters() { map<string, double> CustomManyParticleForceImpl::getDefaultParameters() {
......
...@@ -145,9 +145,7 @@ double CustomNonbondedForceImpl::calcForcesAndEnergy(ContextImpl& context, bool ...@@ -145,9 +145,7 @@ double CustomNonbondedForceImpl::calcForcesAndEnergy(ContextImpl& context, bool
} }
vector<string> CustomNonbondedForceImpl::getKernelNames() { vector<string> CustomNonbondedForceImpl::getKernelNames() {
vector<string> names; return {CalcCustomNonbondedForceKernel::Name()};
names.push_back(CalcCustomNonbondedForceKernel::Name());
return names;
} }
map<string, double> CustomNonbondedForceImpl::getDefaultParameters() { map<string, double> CustomNonbondedForceImpl::getDefaultParameters() {
......
...@@ -84,9 +84,7 @@ double CustomTorsionForceImpl::calcForcesAndEnergy(ContextImpl& context, bool in ...@@ -84,9 +84,7 @@ double CustomTorsionForceImpl::calcForcesAndEnergy(ContextImpl& context, bool in
} }
vector<string> CustomTorsionForceImpl::getKernelNames() { vector<string> CustomTorsionForceImpl::getKernelNames() {
vector<string> names; return {CalcCustomTorsionForceKernel::Name()};
names.push_back(CalcCustomTorsionForceKernel::Name());
return names;
} }
map<string, double> CustomTorsionForceImpl::getDefaultParameters() { map<string, double> CustomTorsionForceImpl::getDefaultParameters() {
......
...@@ -114,9 +114,7 @@ void DPDIntegrator::cleanup() { ...@@ -114,9 +114,7 @@ void DPDIntegrator::cleanup() {
} }
vector<string> DPDIntegrator::getKernelNames() { vector<string> DPDIntegrator::getKernelNames() {
std::vector<std::string> names; return {IntegrateDPDStepKernel::Name()};
names.push_back(IntegrateDPDStepKernel::Name());
return names;
} }
double DPDIntegrator::computeKineticEnergy() { double DPDIntegrator::computeKineticEnergy() {
......
...@@ -70,9 +70,7 @@ double GBSAOBCForceImpl::calcForcesAndEnergy(ContextImpl& context, bool includeF ...@@ -70,9 +70,7 @@ double GBSAOBCForceImpl::calcForcesAndEnergy(ContextImpl& context, bool includeF
} }
std::vector<std::string> GBSAOBCForceImpl::getKernelNames() { std::vector<std::string> GBSAOBCForceImpl::getKernelNames() {
std::vector<std::string> names; return {CalcGBSAOBCForceKernel::Name()};
names.push_back(CalcGBSAOBCForceKernel::Name());
return names;
} }
void GBSAOBCForceImpl::updateParametersInContext(ContextImpl& context) { void GBSAOBCForceImpl::updateParametersInContext(ContextImpl& context) {
......
...@@ -127,9 +127,7 @@ double GayBerneForceImpl::calcForcesAndEnergy(ContextImpl& context, bool include ...@@ -127,9 +127,7 @@ double GayBerneForceImpl::calcForcesAndEnergy(ContextImpl& context, bool include
} }
std::vector<std::string> GayBerneForceImpl::getKernelNames() { std::vector<std::string> GayBerneForceImpl::getKernelNames() {
std::vector<std::string> names; return {CalcGayBerneForceKernel::Name()};
names.push_back(CalcGayBerneForceKernel::Name());
return names;
} }
void GayBerneForceImpl::updateParametersInContext(ContextImpl& context) { void GayBerneForceImpl::updateParametersInContext(ContextImpl& context) {
......
...@@ -75,9 +75,7 @@ double HarmonicAngleForceImpl::calcForcesAndEnergy(ContextImpl& context, bool in ...@@ -75,9 +75,7 @@ double HarmonicAngleForceImpl::calcForcesAndEnergy(ContextImpl& context, bool in
} }
std::vector<std::string> HarmonicAngleForceImpl::getKernelNames() { std::vector<std::string> HarmonicAngleForceImpl::getKernelNames() {
std::vector<std::string> names; return {CalcHarmonicAngleForceKernel::Name()};
names.push_back(CalcHarmonicAngleForceKernel::Name());
return names;
} }
void HarmonicAngleForceImpl::updateParametersInContext(ContextImpl& context, int firstAngle, int lastAngle) { void HarmonicAngleForceImpl::updateParametersInContext(ContextImpl& context, int firstAngle, int lastAngle) {
......
...@@ -71,9 +71,7 @@ double HarmonicBondForceImpl::calcForcesAndEnergy(ContextImpl& context, bool inc ...@@ -71,9 +71,7 @@ double HarmonicBondForceImpl::calcForcesAndEnergy(ContextImpl& context, bool inc
} }
std::vector<std::string> HarmonicBondForceImpl::getKernelNames() { std::vector<std::string> HarmonicBondForceImpl::getKernelNames() {
std::vector<std::string> names; return {CalcHarmonicBondForceKernel::Name()};
names.push_back(CalcHarmonicBondForceKernel::Name());
return names;
} }
vector<pair<int, int> > HarmonicBondForceImpl::getBondedParticles() const { vector<pair<int, int> > HarmonicBondForceImpl::getBondedParticles() const {
......
...@@ -72,9 +72,7 @@ void LangevinMiddleIntegrator::cleanup() { ...@@ -72,9 +72,7 @@ void LangevinMiddleIntegrator::cleanup() {
} }
vector<string> LangevinMiddleIntegrator::getKernelNames() { vector<string> LangevinMiddleIntegrator::getKernelNames() {
std::vector<std::string> names; return {IntegrateLangevinMiddleStepKernel::Name()};
names.push_back(IntegrateLangevinMiddleStepKernel::Name());
return names;
} }
double LangevinMiddleIntegrator::computeKineticEnergy() { double LangevinMiddleIntegrator::computeKineticEnergy() {
......
...@@ -142,18 +142,14 @@ void MonteCarloAnisotropicBarostatImpl::updateContextState(ContextImpl& context, ...@@ -142,18 +142,14 @@ void MonteCarloAnisotropicBarostatImpl::updateContextState(ContextImpl& context,
} }
map<string, double> MonteCarloAnisotropicBarostatImpl::getDefaultParameters() { map<string, double> MonteCarloAnisotropicBarostatImpl::getDefaultParameters() {
map<string, double> parameters; return {{MonteCarloAnisotropicBarostat::PressureX(), getOwner().getDefaultPressure()[0]},
parameters[MonteCarloAnisotropicBarostat::PressureX()] = getOwner().getDefaultPressure()[0]; {MonteCarloAnisotropicBarostat::PressureY(), getOwner().getDefaultPressure()[1]},
parameters[MonteCarloAnisotropicBarostat::PressureY()] = getOwner().getDefaultPressure()[1]; {MonteCarloAnisotropicBarostat::PressureZ(), getOwner().getDefaultPressure()[2]},
parameters[MonteCarloAnisotropicBarostat::PressureZ()] = getOwner().getDefaultPressure()[2]; {MonteCarloAnisotropicBarostat::Temperature(), getOwner().getDefaultTemperature()}};
parameters[MonteCarloAnisotropicBarostat::Temperature()] = getOwner().getDefaultTemperature();
return parameters;
} }
vector<string> MonteCarloAnisotropicBarostatImpl::getKernelNames() { vector<string> MonteCarloAnisotropicBarostatImpl::getKernelNames() {
vector<string> names; return {ApplyMonteCarloBarostatKernel::Name()};
names.push_back(ApplyMonteCarloBarostatKernel::Name());
return names;
} }
Vec3 MonteCarloAnisotropicBarostatImpl::computeCurrentPressure(ContextImpl& context) { Vec3 MonteCarloAnisotropicBarostatImpl::computeCurrentPressure(ContextImpl& context) {
......
...@@ -112,16 +112,12 @@ void MonteCarloBarostatImpl::updateContextState(ContextImpl& context, bool& forc ...@@ -112,16 +112,12 @@ void MonteCarloBarostatImpl::updateContextState(ContextImpl& context, bool& forc
} }
map<string, double> MonteCarloBarostatImpl::getDefaultParameters() { map<string, double> MonteCarloBarostatImpl::getDefaultParameters() {
map<string, double> parameters; return {{MonteCarloBarostat::Pressure(), getOwner().getDefaultPressure()},
parameters[MonteCarloBarostat::Pressure()] = getOwner().getDefaultPressure(); {MonteCarloBarostat::Temperature(), getOwner().getDefaultTemperature()}};
parameters[MonteCarloBarostat::Temperature()] = getOwner().getDefaultTemperature();
return parameters;
} }
vector<string> MonteCarloBarostatImpl::getKernelNames() { vector<string> MonteCarloBarostatImpl::getKernelNames() {
vector<string> names; return {ApplyMonteCarloBarostatKernel::Name()};
names.push_back(ApplyMonteCarloBarostatKernel::Name());
return names;
} }
double MonteCarloBarostatImpl::computeCurrentPressure(ContextImpl& context) { double MonteCarloBarostatImpl::computeCurrentPressure(ContextImpl& context) {
......
...@@ -138,16 +138,12 @@ void MonteCarloFlexibleBarostatImpl::updateContextState(ContextImpl& context, bo ...@@ -138,16 +138,12 @@ void MonteCarloFlexibleBarostatImpl::updateContextState(ContextImpl& context, bo
} }
map<string, double> MonteCarloFlexibleBarostatImpl::getDefaultParameters() { map<string, double> MonteCarloFlexibleBarostatImpl::getDefaultParameters() {
map<string, double> parameters; return {{MonteCarloFlexibleBarostat::Pressure(), getOwner().getDefaultPressure()},
parameters[MonteCarloFlexibleBarostat::Pressure()] = getOwner().getDefaultPressure(); {MonteCarloFlexibleBarostat::Temperature(), getOwner().getDefaultTemperature()}};
parameters[MonteCarloFlexibleBarostat::Temperature()] = getOwner().getDefaultTemperature();
return parameters;
} }
vector<string> MonteCarloFlexibleBarostatImpl::getKernelNames() { vector<string> MonteCarloFlexibleBarostatImpl::getKernelNames() {
vector<string> names; return {ApplyMonteCarloBarostatKernel::Name()};
names.push_back(ApplyMonteCarloBarostatKernel::Name());
return names;
} }
void MonteCarloFlexibleBarostatImpl::computeCurrentPressure(ContextImpl& context, vector<double>& pressure) { void MonteCarloFlexibleBarostatImpl::computeCurrentPressure(ContextImpl& context, vector<double>& pressure) {
......
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