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

Code cleanup (#5127)

parent b1a5324c
...@@ -55,7 +55,7 @@ public: ...@@ -55,7 +55,7 @@ public:
} }
double calcForcesAndEnergy(ContextImpl& context, bool includeForces, bool includeEnergy, int groups); double calcForcesAndEnergy(ContextImpl& context, bool includeForces, bool includeEnergy, int groups);
std::map<std::string, double> getDefaultParameters() { std::map<std::string, double> getDefaultParameters() {
return std::map<std::string, double>(); // This force field doesn't define any parameters. return {}; // This force field doesn't define any parameters.
} }
std::vector<std::string> getKernelNames(); std::vector<std::string> getKernelNames();
void updateParametersInContext(ContextImpl& context); void updateParametersInContext(ContextImpl& context);
......
...@@ -53,7 +53,7 @@ public: ...@@ -53,7 +53,7 @@ public:
return 0.0; return 0.0;
} }
std::map<std::string, double> getDefaultParameters() { std::map<std::string, double> getDefaultParameters() {
return std::map<std::string, double>(); // This force doesn't define any parameters. return {}; // This force doesn't define any parameters.
} }
std::vector<std::string> getKernelNames(); std::vector<std::string> getKernelNames();
private: private:
......
...@@ -58,7 +58,7 @@ public: ...@@ -58,7 +58,7 @@ public:
} }
double calcForcesAndEnergy(ContextImpl& context, bool includeForces, bool includeEnergy, int groups); double calcForcesAndEnergy(ContextImpl& context, bool includeForces, bool includeEnergy, int groups);
std::map<std::string, double> getDefaultParameters() { std::map<std::string, double> getDefaultParameters() {
return std::map<std::string, double>(); // This force field doesn't define any parameters. return {}; // This force field doesn't define any parameters.
} }
std::vector<std::string> getKernelNames(); std::vector<std::string> getKernelNames();
void updateParametersInContext(ContextImpl& context, int firstParticle, int lastParticle, int firstException, int lastException, int firstElectrode, int lastElectrode); void updateParametersInContext(ContextImpl& context, int firstParticle, int lastParticle, int firstException, int lastException, int firstElectrode, int lastElectrode);
......
...@@ -53,7 +53,7 @@ public: ...@@ -53,7 +53,7 @@ public:
} }
double calcForcesAndEnergy(ContextImpl& context, bool includeForces, bool includeEnergy, int groups); double calcForcesAndEnergy(ContextImpl& context, bool includeForces, bool includeEnergy, int groups);
std::map<std::string, double> getDefaultParameters() { std::map<std::string, double> getDefaultParameters() {
return std::map<std::string, double>(); // This force field doesn't define any parameters. return {}; // This force field doesn't define any parameters.
} }
std::vector<std::string> getKernelNames(); std::vector<std::string> getKernelNames();
void updateParametersInContext(ContextImpl& context); void updateParametersInContext(ContextImpl& context);
......
...@@ -58,7 +58,7 @@ public: ...@@ -58,7 +58,7 @@ public:
} }
double calcForcesAndEnergy(ContextImpl& context, bool includeForces, bool includeEnergy, int groups); double calcForcesAndEnergy(ContextImpl& context, bool includeForces, bool includeEnergy, int groups);
std::map<std::string, double> getDefaultParameters() { std::map<std::string, double> getDefaultParameters() {
return std::map<std::string, double>(); // This force field doesn't define any parameters. return {}; // This force field doesn't define any parameters.
} }
std::vector<std::string> getKernelNames(); std::vector<std::string> getKernelNames();
void updateParametersInContext(ContextImpl& context); void updateParametersInContext(ContextImpl& context);
......
...@@ -56,7 +56,7 @@ public: ...@@ -56,7 +56,7 @@ public:
} }
double calcForcesAndEnergy(ContextImpl& context, bool includeForces, bool includeEnergy, int groups); double calcForcesAndEnergy(ContextImpl& context, bool includeForces, bool includeEnergy, int groups);
std::map<std::string, double> getDefaultParameters() { std::map<std::string, double> getDefaultParameters() {
return std::map<std::string, double>(); // This force field doesn't define any parameters. return {}; // This force field doesn't define any parameters.
} }
std::vector<std::string> getKernelNames(); std::vector<std::string> getKernelNames();
void updateParametersInContext(ContextImpl& context, int firstAngle, int lastAngle); void updateParametersInContext(ContextImpl& context, int firstAngle, int lastAngle);
......
...@@ -56,7 +56,7 @@ public: ...@@ -56,7 +56,7 @@ public:
} }
double calcForcesAndEnergy(ContextImpl& context, bool includeForces, bool includeEnergy, int groups); double calcForcesAndEnergy(ContextImpl& context, bool includeForces, bool includeEnergy, int groups);
std::map<std::string, double> getDefaultParameters() { std::map<std::string, double> getDefaultParameters() {
return std::map<std::string, double>(); // This force field doesn't define any parameters. return {}; // This force field doesn't define any parameters.
} }
std::vector<std::string> getKernelNames(); std::vector<std::string> getKernelNames();
std::vector<std::pair<int, int> > getBondedParticles() const; std::vector<std::pair<int, int> > getBondedParticles() const;
......
...@@ -56,7 +56,7 @@ public: ...@@ -56,7 +56,7 @@ public:
} }
double calcForcesAndEnergy(ContextImpl& context, bool includeForces, bool includeEnergy, int groups); double calcForcesAndEnergy(ContextImpl& context, bool includeForces, bool includeEnergy, int groups);
std::map<std::string, double> getDefaultParameters() { std::map<std::string, double> getDefaultParameters() {
return std::map<std::string, double>(); // This force doesn't define any parameters. return {}; // This force doesn't define any parameters.
} }
std::vector<std::string> getKernelNames(); std::vector<std::string> getKernelNames();
void updateParametersInContext(ContextImpl& context); void updateParametersInContext(ContextImpl& context);
......
...@@ -56,7 +56,7 @@ public: ...@@ -56,7 +56,7 @@ public:
} }
double calcForcesAndEnergy(ContextImpl& context, bool includeForces, bool includeEnergy, int groups); double calcForcesAndEnergy(ContextImpl& context, bool includeForces, bool includeEnergy, int groups);
std::map<std::string, double> getDefaultParameters() { std::map<std::string, double> getDefaultParameters() {
return std::map<std::string, double>(); // This force field doesn't define any parameters. return {}; // This force field doesn't define any parameters.
} }
std::vector<std::string> getKernelNames(); std::vector<std::string> getKernelNames();
void updateParametersInContext(ContextImpl& context, int firstTorsion, int lastTorsion); void updateParametersInContext(ContextImpl& context, int firstTorsion, int lastTorsion);
......
...@@ -56,7 +56,7 @@ public: ...@@ -56,7 +56,7 @@ public:
} }
double calcForcesAndEnergy(ContextImpl& context, bool includeForces, bool includeEnergy, int groups); double calcForcesAndEnergy(ContextImpl& context, bool includeForces, bool includeEnergy, int groups);
std::map<std::string, double> getDefaultParameters() { std::map<std::string, double> getDefaultParameters() {
return std::map<std::string, double>(); // This force field doesn't define any parameters. return {}; // This force field doesn't define any parameters.
} }
std::vector<std::string> getKernelNames(); std::vector<std::string> getKernelNames();
void updateParametersInContext(ContextImpl& context); void updateParametersInContext(ContextImpl& context);
......
...@@ -56,7 +56,7 @@ public: ...@@ -56,7 +56,7 @@ public:
} }
double calcForcesAndEnergy(ContextImpl& context, bool includeForces, bool includeEnergy, int groups); double calcForcesAndEnergy(ContextImpl& context, bool includeForces, bool includeEnergy, int groups);
std::map<std::string, double> getDefaultParameters() { std::map<std::string, double> getDefaultParameters() {
return std::map<std::string, double>(); // This force doesn't define any parameters. return {}; // This force doesn't define any parameters.
} }
std::vector<std::string> getKernelNames(); std::vector<std::string> getKernelNames();
private: private:
......
...@@ -56,7 +56,7 @@ public: ...@@ -56,7 +56,7 @@ public:
} }
double calcForcesAndEnergy(ContextImpl& context, bool includeForces, bool includeEnergy, int groups); double calcForcesAndEnergy(ContextImpl& context, bool includeForces, bool includeEnergy, int groups);
std::map<std::string, double> getDefaultParameters() { std::map<std::string, double> getDefaultParameters() {
return std::map<std::string, double>(); // This force doesn't define any parameters. return {}; // This force doesn't define any parameters.
} }
std::vector<std::string> getKernelNames(); std::vector<std::string> getKernelNames();
void updateParametersInContext(ContextImpl& context); void updateParametersInContext(ContextImpl& context);
......
...@@ -178,9 +178,7 @@ std::map<std::string, double> ATMForceImpl::getDefaultParameters() { ...@@ -178,9 +178,7 @@ std::map<std::string, double> ATMForceImpl::getDefaultParameters() {
} }
std::vector<std::string> ATMForceImpl::getKernelNames() { std::vector<std::string> ATMForceImpl::getKernelNames() {
std::vector<std::string> names; return {CalcATMForceKernel::Name()};
names.push_back(CalcATMForceKernel::Name());
return names;
} }
vector<pair<int, int> > ATMForceImpl::getBondedParticles() const { vector<pair<int, int> > ATMForceImpl::getBondedParticles() const {
......
...@@ -55,16 +55,12 @@ void AndersenThermostatImpl::updateContextState(ContextImpl& context, bool& forc ...@@ -55,16 +55,12 @@ void AndersenThermostatImpl::updateContextState(ContextImpl& context, bool& forc
} }
std::map<std::string, double> AndersenThermostatImpl::getDefaultParameters() { std::map<std::string, double> AndersenThermostatImpl::getDefaultParameters() {
std::map<std::string, double> parameters; return {{AndersenThermostat::Temperature(), getOwner().getDefaultTemperature()},
parameters[AndersenThermostat::Temperature()] = getOwner().getDefaultTemperature(); {AndersenThermostat::CollisionFrequency(), getOwner().getDefaultCollisionFrequency()}};
parameters[AndersenThermostat::CollisionFrequency()] = getOwner().getDefaultCollisionFrequency();
return parameters;
} }
std::vector<std::string> AndersenThermostatImpl::getKernelNames() { std::vector<std::string> AndersenThermostatImpl::getKernelNames() {
std::vector<std::string> names; return {ApplyAndersenThermostatKernel::Name()};
names.push_back(ApplyAndersenThermostatKernel::Name());
return names;
} }
vector<vector<int> > AndersenThermostatImpl::calcParticleGroups(const System& system) { vector<vector<int> > AndersenThermostatImpl::calcParticleGroups(const System& system) {
......
...@@ -72,9 +72,7 @@ void BrownianIntegrator::cleanup() { ...@@ -72,9 +72,7 @@ void BrownianIntegrator::cleanup() {
} }
vector<string> BrownianIntegrator::getKernelNames() { vector<string> BrownianIntegrator::getKernelNames() {
std::vector<std::string> names; return {IntegrateBrownianStepKernel::Name()};
names.push_back(IntegrateBrownianStepKernel::Name());
return names;
} }
double BrownianIntegrator::computeKineticEnergy() { double BrownianIntegrator::computeKineticEnergy() {
......
...@@ -78,9 +78,7 @@ double CMAPTorsionForceImpl::calcForcesAndEnergy(ContextImpl& context, bool incl ...@@ -78,9 +78,7 @@ double CMAPTorsionForceImpl::calcForcesAndEnergy(ContextImpl& context, bool incl
} }
vector<string> CMAPTorsionForceImpl::getKernelNames() { vector<string> CMAPTorsionForceImpl::getKernelNames() {
vector<string> names; return {CalcCMAPTorsionForceKernel::Name()};
names.push_back(CalcCMAPTorsionForceKernel::Name());
return names;
} }
void CMAPTorsionForceImpl::calcMapDerivatives(int size, const vector<double>& energy, vector<vector<double> >& c) { void CMAPTorsionForceImpl::calcMapDerivatives(int size, const vector<double>& energy, vector<vector<double> >& c) {
......
...@@ -51,7 +51,5 @@ void CMMotionRemoverImpl::updateContextState(ContextImpl& context, bool& forcesI ...@@ -51,7 +51,5 @@ void CMMotionRemoverImpl::updateContextState(ContextImpl& context, bool& forcesI
} }
std::vector<std::string> CMMotionRemoverImpl::getKernelNames() { std::vector<std::string> CMMotionRemoverImpl::getKernelNames() {
std::vector<std::string> names; return {RemoveCMMotionKernel::Name()};
names.push_back(RemoveCMMotionKernel::Name());
return names;
} }
...@@ -168,9 +168,7 @@ double ConstantPotentialForceImpl::calcForcesAndEnergy(ContextImpl& context, boo ...@@ -168,9 +168,7 @@ double ConstantPotentialForceImpl::calcForcesAndEnergy(ContextImpl& context, boo
} }
std::vector<std::string> ConstantPotentialForceImpl::getKernelNames() { std::vector<std::string> ConstantPotentialForceImpl::getKernelNames() {
std::vector<std::string> names; return {CalcConstantPotentialForceKernel::Name()};
names.push_back(CalcConstantPotentialForceKernel::Name());
return names;
} }
void ConstantPotentialForceImpl::updateParametersInContext(ContextImpl& context, int firstParticle, int lastParticle, int firstException, int lastException, int firstElectrode, int lastElectrode) { void ConstantPotentialForceImpl::updateParametersInContext(ContextImpl& context, int firstParticle, int lastParticle, int firstException, int lastException, int firstElectrode, int lastElectrode) {
......
...@@ -83,9 +83,7 @@ double CustomAngleForceImpl::calcForcesAndEnergy(ContextImpl& context, bool incl ...@@ -83,9 +83,7 @@ double CustomAngleForceImpl::calcForcesAndEnergy(ContextImpl& context, bool incl
} }
vector<string> CustomAngleForceImpl::getKernelNames() { vector<string> CustomAngleForceImpl::getKernelNames() {
vector<string> names; return {CalcCustomAngleForceKernel::Name()};
names.push_back(CalcCustomAngleForceKernel::Name());
return names;
} }
map<string, double> CustomAngleForceImpl::getDefaultParameters() { map<string, double> CustomAngleForceImpl::getDefaultParameters() {
......
...@@ -84,9 +84,7 @@ double CustomBondForceImpl::calcForcesAndEnergy(ContextImpl& context, bool inclu ...@@ -84,9 +84,7 @@ double CustomBondForceImpl::calcForcesAndEnergy(ContextImpl& context, bool inclu
} }
vector<string> CustomBondForceImpl::getKernelNames() { vector<string> CustomBondForceImpl::getKernelNames() {
vector<string> names; return {CalcCustomBondForceKernel::Name()};
names.push_back(CalcCustomBondForceKernel::Name());
return names;
} }
map<string, double> CustomBondForceImpl::getDefaultParameters() { map<string, double> CustomBondForceImpl::getDefaultParameters() {
......
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