"platforms/cuda/tests/TestCudaDPDIntegrator.cpp" did not exist on "68e02e809df6804b76ceb7ac07af73c1efa186cc"
Commit a4020466 authored by Peter Eastman's avatar Peter Eastman
Browse files

Renamed OpenMMContext to Context

parent 95b8dbd6
...@@ -29,7 +29,7 @@ ...@@ -29,7 +29,7 @@
* USE OR OTHER DEALINGS IN THE SOFTWARE. * * USE OR OTHER DEALINGS IN THE SOFTWARE. *
* -------------------------------------------------------------------------- */ * -------------------------------------------------------------------------- */
#include "openmm/internal/OpenMMContextImpl.h" #include "openmm/internal/ContextImpl.h"
#include "openmm/internal/HarmonicBondForceImpl.h" #include "openmm/internal/HarmonicBondForceImpl.h"
#include "openmm/kernels.h" #include "openmm/kernels.h"
...@@ -44,16 +44,16 @@ HarmonicBondForceImpl::HarmonicBondForceImpl(HarmonicBondForce& owner) : owner(o ...@@ -44,16 +44,16 @@ HarmonicBondForceImpl::HarmonicBondForceImpl(HarmonicBondForce& owner) : owner(o
HarmonicBondForceImpl::~HarmonicBondForceImpl() { HarmonicBondForceImpl::~HarmonicBondForceImpl() {
} }
void HarmonicBondForceImpl::initialize(OpenMMContextImpl& context) { void HarmonicBondForceImpl::initialize(ContextImpl& context) {
kernel = context.getPlatform().createKernel(CalcHarmonicBondForceKernel::Name(), context); kernel = context.getPlatform().createKernel(CalcHarmonicBondForceKernel::Name(), context);
dynamic_cast<CalcHarmonicBondForceKernel&>(kernel.getImpl()).initialize(context.getSystem(), owner); dynamic_cast<CalcHarmonicBondForceKernel&>(kernel.getImpl()).initialize(context.getSystem(), owner);
} }
void HarmonicBondForceImpl::calcForces(OpenMMContextImpl& context, Stream& forces) { void HarmonicBondForceImpl::calcForces(ContextImpl& context, Stream& forces) {
dynamic_cast<CalcHarmonicBondForceKernel&>(kernel.getImpl()).executeForces(context); dynamic_cast<CalcHarmonicBondForceKernel&>(kernel.getImpl()).executeForces(context);
} }
double HarmonicBondForceImpl::calcEnergy(OpenMMContextImpl& context) { double HarmonicBondForceImpl::calcEnergy(ContextImpl& context) {
return dynamic_cast<CalcHarmonicBondForceKernel&>(kernel.getImpl()).executeEnergy(context); return dynamic_cast<CalcHarmonicBondForceKernel&>(kernel.getImpl()).executeEnergy(context);
} }
......
...@@ -30,8 +30,8 @@ ...@@ -30,8 +30,8 @@
* -------------------------------------------------------------------------- */ * -------------------------------------------------------------------------- */
#include "openmm/LangevinIntegrator.h" #include "openmm/LangevinIntegrator.h"
#include "openmm/OpenMMContext.h" #include "openmm/Context.h"
#include "openmm/internal/OpenMMContextImpl.h" #include "openmm/internal/ContextImpl.h"
#include "openmm/kernels.h" #include "openmm/kernels.h"
#include <ctime> #include <ctime>
#include <string> #include <string>
...@@ -48,7 +48,7 @@ LangevinIntegrator::LangevinIntegrator(double temperature, double frictionCoeff, ...@@ -48,7 +48,7 @@ LangevinIntegrator::LangevinIntegrator(double temperature, double frictionCoeff,
setRandomNumberSeed((int) time(NULL)); setRandomNumberSeed((int) time(NULL));
} }
void LangevinIntegrator::initialize(OpenMMContextImpl& contextRef) { void LangevinIntegrator::initialize(ContextImpl& contextRef) {
context = &contextRef; context = &contextRef;
kernel = context->getPlatform().createKernel(IntegrateLangevinStepKernel::Name(), contextRef); kernel = context->getPlatform().createKernel(IntegrateLangevinStepKernel::Name(), contextRef);
dynamic_cast<IntegrateLangevinStepKernel&>(kernel.getImpl()).initialize(contextRef.getSystem(), *this); dynamic_cast<IntegrateLangevinStepKernel&>(kernel.getImpl()).initialize(contextRef.getSystem(), *this);
......
...@@ -30,7 +30,7 @@ ...@@ -30,7 +30,7 @@
* -------------------------------------------------------------------------- */ * -------------------------------------------------------------------------- */
#include "openmm/OpenMMException.h" #include "openmm/OpenMMException.h"
#include "openmm/internal/OpenMMContextImpl.h" #include "openmm/internal/ContextImpl.h"
#include "openmm/internal/NonbondedForceImpl.h" #include "openmm/internal/NonbondedForceImpl.h"
#include "openmm/kernels.h" #include "openmm/kernels.h"
#include <sstream> #include <sstream>
...@@ -47,7 +47,7 @@ NonbondedForceImpl::NonbondedForceImpl(NonbondedForce& owner) : owner(owner) { ...@@ -47,7 +47,7 @@ NonbondedForceImpl::NonbondedForceImpl(NonbondedForce& owner) : owner(owner) {
NonbondedForceImpl::~NonbondedForceImpl() { NonbondedForceImpl::~NonbondedForceImpl() {
} }
void NonbondedForceImpl::initialize(OpenMMContextImpl& context) { void NonbondedForceImpl::initialize(ContextImpl& context) {
kernel = context.getPlatform().createKernel(CalcNonbondedForceKernel::Name(), context); kernel = context.getPlatform().createKernel(CalcNonbondedForceKernel::Name(), context);
// Check for errors in the specification of exceptions. // Check for errors in the specification of exceptions.
...@@ -86,11 +86,11 @@ void NonbondedForceImpl::initialize(OpenMMContextImpl& context) { ...@@ -86,11 +86,11 @@ void NonbondedForceImpl::initialize(OpenMMContextImpl& context) {
dynamic_cast<CalcNonbondedForceKernel&>(kernel.getImpl()).initialize(context.getSystem(), owner); dynamic_cast<CalcNonbondedForceKernel&>(kernel.getImpl()).initialize(context.getSystem(), owner);
} }
void NonbondedForceImpl::calcForces(OpenMMContextImpl& context, Stream& forces) { void NonbondedForceImpl::calcForces(ContextImpl& context, Stream& forces) {
dynamic_cast<CalcNonbondedForceKernel&>(kernel.getImpl()).executeForces(context); dynamic_cast<CalcNonbondedForceKernel&>(kernel.getImpl()).executeForces(context);
} }
double NonbondedForceImpl::calcEnergy(OpenMMContextImpl& context) { double NonbondedForceImpl::calcEnergy(ContextImpl& context) {
return dynamic_cast<CalcNonbondedForceKernel&>(kernel.getImpl()).executeEnergy(context); return dynamic_cast<CalcNonbondedForceKernel&>(kernel.getImpl()).executeEnergy(context);
} }
......
...@@ -29,51 +29,51 @@ ...@@ -29,51 +29,51 @@
* USE OR OTHER DEALINGS IN THE SOFTWARE. * * USE OR OTHER DEALINGS IN THE SOFTWARE. *
* -------------------------------------------------------------------------- */ * -------------------------------------------------------------------------- */
#include "openmm/OpenMMContext.h" #include "openmm/Context.h"
#include "openmm/internal/OpenMMContextImpl.h" #include "openmm/internal/ContextImpl.h"
#include "openmm/OpenMMException.h" #include "openmm/OpenMMException.h"
using namespace OpenMM; using namespace OpenMM;
using namespace std; using namespace std;
OpenMMContext::OpenMMContext(System& system, Integrator& integrator) { Context::Context(System& system, Integrator& integrator) {
impl = new OpenMMContextImpl(*this, system, integrator, 0); impl = new ContextImpl(*this, system, integrator, 0);
} }
OpenMMContext::OpenMMContext(System& system, Integrator& integrator, Platform& platform) { Context::Context(System& system, Integrator& integrator, Platform& platform) {
impl = new OpenMMContextImpl(*this, system, integrator, &platform); impl = new ContextImpl(*this, system, integrator, &platform);
} }
OpenMMContext::~OpenMMContext() { Context::~Context() {
delete impl; delete impl;
} }
const System& OpenMMContext::getSystem() const { const System& Context::getSystem() const {
return impl->getSystem(); return impl->getSystem();
} }
System& OpenMMContext::getSystem() { System& Context::getSystem() {
return impl->getSystem(); return impl->getSystem();
} }
const Integrator& OpenMMContext::getIntegrator() const { const Integrator& Context::getIntegrator() const {
return impl->getIntegrator(); return impl->getIntegrator();
} }
Integrator& OpenMMContext::getIntegrator() { Integrator& Context::getIntegrator() {
return impl->getIntegrator(); return impl->getIntegrator();
} }
const Platform& OpenMMContext::getPlatform() const { const Platform& Context::getPlatform() const {
return impl->getPlatform(); return impl->getPlatform();
} }
Platform& OpenMMContext::getPlatform() { Platform& Context::getPlatform() {
return impl->getPlatform(); return impl->getPlatform();
} }
State OpenMMContext::getState(int types) const { State Context::getState(int types) const {
State state(impl->getTime(), impl->getSystem().getNumParticles(), State::DataType(types)); State state(impl->getTime(), impl->getSystem().getNumParticles(), State::DataType(types));
if (types&State::Energy) if (types&State::Energy)
state.setEnergy(impl->calcKineticEnergy(), impl->calcPotentialEnergy()); state.setEnergy(impl->calcKineticEnergy(), impl->calcPotentialEnergy());
...@@ -92,34 +92,34 @@ State OpenMMContext::getState(int types) const { ...@@ -92,34 +92,34 @@ State OpenMMContext::getState(int types) const {
return state; return state;
} }
void OpenMMContext::setTime(double time) { void Context::setTime(double time) {
impl->setTime(time); impl->setTime(time);
} }
void OpenMMContext::setPositions(const vector<Vec3>& positions) { void Context::setPositions(const vector<Vec3>& positions) {
if ((int) positions.size() != impl->getSystem().getNumParticles()) if ((int) positions.size() != impl->getSystem().getNumParticles())
throw OpenMMException("Called setPositions() on an OpenMMContext with the wrong number of positions"); throw OpenMMException("Called setPositions() on a Context with the wrong number of positions");
impl->getPositions().loadFromArray(&positions[0]); impl->getPositions().loadFromArray(&positions[0]);
} }
void OpenMMContext::setVelocities(const vector<Vec3>& velocities) { void Context::setVelocities(const vector<Vec3>& velocities) {
if ((int) velocities.size() != impl->getSystem().getNumParticles()) if ((int) velocities.size() != impl->getSystem().getNumParticles())
throw OpenMMException("Called setVelocities() on an OpenMMContext with the wrong number of velocities"); throw OpenMMException("Called setVelocities() on a Context with the wrong number of velocities");
impl->getVelocities().loadFromArray(&velocities[0]); impl->getVelocities().loadFromArray(&velocities[0]);
} }
double OpenMMContext::getParameter(const string& name) { double Context::getParameter(const string& name) {
return impl->getParameter(name); return impl->getParameter(name);
} }
void OpenMMContext::setParameter(const string& name, double value) { void Context::setParameter(const string& name, double value) {
impl->setParameter(name, value); impl->setParameter(name, value);
} }
void OpenMMContext::reinitialize() { void Context::reinitialize() {
System& system = impl->getSystem(); System& system = impl->getSystem();
Integrator& integrator = impl->getIntegrator(); Integrator& integrator = impl->getIntegrator();
Platform& platform = impl->getPlatform(); Platform& platform = impl->getPlatform();
delete impl; delete impl;
impl = new OpenMMContextImpl(*this, system, integrator, &platform); impl = new ContextImpl(*this, system, integrator, &platform);
} }
...@@ -35,7 +35,7 @@ ...@@ -35,7 +35,7 @@
#include "openmm/System.h" #include "openmm/System.h"
#include "openmm/kernels.h" #include "openmm/kernels.h"
#include "openmm/internal/ForceImpl.h" #include "openmm/internal/ForceImpl.h"
#include "openmm/internal/OpenMMContextImpl.h" #include "openmm/internal/ContextImpl.h"
#include <map> #include <map>
#include <vector> #include <vector>
...@@ -44,7 +44,7 @@ using std::map; ...@@ -44,7 +44,7 @@ using std::map;
using std::vector; using std::vector;
using std::string; using std::string;
OpenMMContextImpl::OpenMMContextImpl(OpenMMContext& owner, System& system, Integrator& integrator, Platform* platform) : ContextImpl::ContextImpl(Context& owner, System& system, Integrator& integrator, Platform* platform) :
owner(owner), system(system), owner(owner), system(system),
integrator(integrator), platform(platform), integrator(integrator), platform(platform),
platformData(NULL) platformData(NULL)
...@@ -65,7 +65,7 @@ OpenMMContextImpl::OpenMMContextImpl(OpenMMContext& owner, System& system, Integ ...@@ -65,7 +65,7 @@ OpenMMContextImpl::OpenMMContextImpl(OpenMMContext& owner, System& system, Integ
if (platform == 0) if (platform == 0)
this->platform = platform = &Platform::findPlatform(kernelNames); this->platform = platform = &Platform::findPlatform(kernelNames);
else if (!platform->supportsKernels(kernelNames)) else if (!platform->supportsKernels(kernelNames))
throw OpenMMException("Specified a Platform for an OpenMMContext which does not support all required kernels"); throw OpenMMException("Specified a Platform for a Context which does not support all required kernels");
platform->contextCreated(*this); platform->contextCreated(*this);
initializeForcesKernel = platform->createKernel(InitializeForcesKernel::Name(), *this); initializeForcesKernel = platform->createKernel(InitializeForcesKernel::Name(), *this);
dynamic_cast<InitializeForcesKernel&>(initializeForcesKernel.getImpl()).initialize(system); dynamic_cast<InitializeForcesKernel&>(initializeForcesKernel.getImpl()).initialize(system);
...@@ -83,58 +83,58 @@ OpenMMContextImpl::OpenMMContextImpl(OpenMMContext& owner, System& system, Integ ...@@ -83,58 +83,58 @@ OpenMMContextImpl::OpenMMContextImpl(OpenMMContext& owner, System& system, Integ
velocities.fillWithValue(&zero); velocities.fillWithValue(&zero);
} }
OpenMMContextImpl::~OpenMMContextImpl() { ContextImpl::~ContextImpl() {
for (int i = 0; i < (int) forceImpls.size(); ++i) for (int i = 0; i < (int) forceImpls.size(); ++i)
delete forceImpls[i]; delete forceImpls[i];
platform->contextDestroyed(*this); platform->contextDestroyed(*this);
} }
double OpenMMContextImpl::getTime() const { double ContextImpl::getTime() const {
return dynamic_cast<const UpdateTimeKernel&>(updateTimeKernel.getImpl()).getTime(*this); return dynamic_cast<const UpdateTimeKernel&>(updateTimeKernel.getImpl()).getTime(*this);
} }
void OpenMMContextImpl::setTime(double t) { void ContextImpl::setTime(double t) {
dynamic_cast<UpdateTimeKernel&>(updateTimeKernel.getImpl()).setTime(*this, t); dynamic_cast<UpdateTimeKernel&>(updateTimeKernel.getImpl()).setTime(*this, t);
} }
double OpenMMContextImpl::getParameter(std::string name) { double ContextImpl::getParameter(std::string name) {
if (parameters.find(name) == parameters.end()) if (parameters.find(name) == parameters.end())
throw OpenMMException("Called getParameter() with invalid parameter name"); throw OpenMMException("Called getParameter() with invalid parameter name");
return parameters[name]; return parameters[name];
} }
void OpenMMContextImpl::setParameter(std::string name, double value) { void ContextImpl::setParameter(std::string name, double value) {
if (parameters.find(name) == parameters.end()) if (parameters.find(name) == parameters.end())
throw OpenMMException("Called setParameter() with invalid parameter name"); throw OpenMMException("Called setParameter() with invalid parameter name");
parameters[name] = value; parameters[name] = value;
} }
void OpenMMContextImpl::calcForces() { void ContextImpl::calcForces() {
dynamic_cast<InitializeForcesKernel&>(initializeForcesKernel.getImpl()).execute(*this); dynamic_cast<InitializeForcesKernel&>(initializeForcesKernel.getImpl()).execute(*this);
for (int i = 0; i < (int) forceImpls.size(); ++i) for (int i = 0; i < (int) forceImpls.size(); ++i)
forceImpls[i]->calcForces(*this, forces); forceImpls[i]->calcForces(*this, forces);
} }
double OpenMMContextImpl::calcKineticEnergy() { double ContextImpl::calcKineticEnergy() {
return dynamic_cast<CalcKineticEnergyKernel&>(kineticEnergyKernel.getImpl()).execute(*this); return dynamic_cast<CalcKineticEnergyKernel&>(kineticEnergyKernel.getImpl()).execute(*this);
} }
double OpenMMContextImpl::calcPotentialEnergy() { double ContextImpl::calcPotentialEnergy() {
double energy = 0.0; double energy = 0.0;
for (int i = 0; i < (int) forceImpls.size(); ++i) for (int i = 0; i < (int) forceImpls.size(); ++i)
energy += forceImpls[i]->calcEnergy(*this); energy += forceImpls[i]->calcEnergy(*this);
return energy; return energy;
} }
void OpenMMContextImpl::updateContextState() { void ContextImpl::updateContextState() {
for (int i = 0; i < (int) forceImpls.size(); ++i) for (int i = 0; i < (int) forceImpls.size(); ++i)
forceImpls[i]->updateContextState(*this); forceImpls[i]->updateContextState(*this);
} }
void* OpenMMContextImpl::getPlatformData() { void* ContextImpl::getPlatformData() {
return platformData; return platformData;
} }
void OpenMMContextImpl::setPlatformData(void* data) { void ContextImpl::setPlatformData(void* data) {
platformData = data; platformData = data;
} }
...@@ -29,7 +29,7 @@ ...@@ -29,7 +29,7 @@
* USE OR OTHER DEALINGS IN THE SOFTWARE. * * USE OR OTHER DEALINGS IN THE SOFTWARE. *
* -------------------------------------------------------------------------- */ * -------------------------------------------------------------------------- */
#include "openmm/internal/OpenMMContextImpl.h" #include "openmm/internal/ContextImpl.h"
#include "openmm/internal/PeriodicTorsionForceImpl.h" #include "openmm/internal/PeriodicTorsionForceImpl.h"
#include "openmm/kernels.h" #include "openmm/kernels.h"
...@@ -44,16 +44,16 @@ PeriodicTorsionForceImpl::PeriodicTorsionForceImpl(PeriodicTorsionForce& owner) ...@@ -44,16 +44,16 @@ PeriodicTorsionForceImpl::PeriodicTorsionForceImpl(PeriodicTorsionForce& owner)
PeriodicTorsionForceImpl::~PeriodicTorsionForceImpl() { PeriodicTorsionForceImpl::~PeriodicTorsionForceImpl() {
} }
void PeriodicTorsionForceImpl::initialize(OpenMMContextImpl& context) { void PeriodicTorsionForceImpl::initialize(ContextImpl& context) {
kernel = context.getPlatform().createKernel(CalcPeriodicTorsionForceKernel::Name(), context); kernel = context.getPlatform().createKernel(CalcPeriodicTorsionForceKernel::Name(), context);
dynamic_cast<CalcPeriodicTorsionForceKernel&>(kernel.getImpl()).initialize(context.getSystem(), owner); dynamic_cast<CalcPeriodicTorsionForceKernel&>(kernel.getImpl()).initialize(context.getSystem(), owner);
} }
void PeriodicTorsionForceImpl::calcForces(OpenMMContextImpl& context, Stream& forces) { void PeriodicTorsionForceImpl::calcForces(ContextImpl& context, Stream& forces) {
dynamic_cast<CalcPeriodicTorsionForceKernel&>(kernel.getImpl()).executeForces(context); dynamic_cast<CalcPeriodicTorsionForceKernel&>(kernel.getImpl()).executeForces(context);
} }
double PeriodicTorsionForceImpl::calcEnergy(OpenMMContextImpl& context) { double PeriodicTorsionForceImpl::calcEnergy(ContextImpl& context) {
return dynamic_cast<CalcPeriodicTorsionForceKernel&>(kernel.getImpl()).executeEnergy(context); return dynamic_cast<CalcPeriodicTorsionForceKernel&>(kernel.getImpl()).executeEnergy(context);
} }
......
...@@ -29,7 +29,7 @@ ...@@ -29,7 +29,7 @@
* USE OR OTHER DEALINGS IN THE SOFTWARE. * * USE OR OTHER DEALINGS IN THE SOFTWARE. *
* -------------------------------------------------------------------------- */ * -------------------------------------------------------------------------- */
#include "openmm/internal/OpenMMContextImpl.h" #include "openmm/internal/ContextImpl.h"
#include "openmm/internal/RBTorsionForceImpl.h" #include "openmm/internal/RBTorsionForceImpl.h"
#include "openmm/kernels.h" #include "openmm/kernels.h"
...@@ -44,16 +44,16 @@ RBTorsionForceImpl::RBTorsionForceImpl(RBTorsionForce& owner) : owner(owner) { ...@@ -44,16 +44,16 @@ RBTorsionForceImpl::RBTorsionForceImpl(RBTorsionForce& owner) : owner(owner) {
RBTorsionForceImpl::~RBTorsionForceImpl() { RBTorsionForceImpl::~RBTorsionForceImpl() {
} }
void RBTorsionForceImpl::initialize(OpenMMContextImpl& context) { void RBTorsionForceImpl::initialize(ContextImpl& context) {
kernel = context.getPlatform().createKernel(CalcRBTorsionForceKernel::Name(), context); kernel = context.getPlatform().createKernel(CalcRBTorsionForceKernel::Name(), context);
dynamic_cast<CalcRBTorsionForceKernel&>(kernel.getImpl()).initialize(context.getSystem(), owner); dynamic_cast<CalcRBTorsionForceKernel&>(kernel.getImpl()).initialize(context.getSystem(), owner);
} }
void RBTorsionForceImpl::calcForces(OpenMMContextImpl& context, Stream& forces) { void RBTorsionForceImpl::calcForces(ContextImpl& context, Stream& forces) {
dynamic_cast<CalcRBTorsionForceKernel&>(kernel.getImpl()).executeForces(context); dynamic_cast<CalcRBTorsionForceKernel&>(kernel.getImpl()).executeForces(context);
} }
double RBTorsionForceImpl::calcEnergy(OpenMMContextImpl& context) { double RBTorsionForceImpl::calcEnergy(ContextImpl& context) {
return dynamic_cast<CalcRBTorsionForceKernel&>(kernel.getImpl()).executeEnergy(context); return dynamic_cast<CalcRBTorsionForceKernel&>(kernel.getImpl()).executeEnergy(context);
} }
......
...@@ -30,8 +30,8 @@ ...@@ -30,8 +30,8 @@
* -------------------------------------------------------------------------- */ * -------------------------------------------------------------------------- */
#include "openmm/VariableLangevinIntegrator.h" #include "openmm/VariableLangevinIntegrator.h"
#include "openmm/OpenMMContext.h" #include "openmm/Context.h"
#include "openmm/internal/OpenMMContextImpl.h" #include "openmm/internal/ContextImpl.h"
#include "openmm/kernels.h" #include "openmm/kernels.h"
#include <limits> #include <limits>
#include <string> #include <string>
...@@ -48,7 +48,7 @@ VariableLangevinIntegrator::VariableLangevinIntegrator(double temperature, doubl ...@@ -48,7 +48,7 @@ VariableLangevinIntegrator::VariableLangevinIntegrator(double temperature, doubl
setRandomNumberSeed((int) time(NULL)); setRandomNumberSeed((int) time(NULL));
} }
void VariableLangevinIntegrator::initialize(OpenMMContextImpl& contextRef) { void VariableLangevinIntegrator::initialize(ContextImpl& contextRef) {
context = &contextRef; context = &contextRef;
kernel = context->getPlatform().createKernel(IntegrateVariableLangevinStepKernel::Name(), contextRef); kernel = context->getPlatform().createKernel(IntegrateVariableLangevinStepKernel::Name(), contextRef);
dynamic_cast<IntegrateVariableLangevinStepKernel&>(kernel.getImpl()).initialize(contextRef.getSystem(), *this); dynamic_cast<IntegrateVariableLangevinStepKernel&>(kernel.getImpl()).initialize(contextRef.getSystem(), *this);
......
...@@ -30,8 +30,8 @@ ...@@ -30,8 +30,8 @@
* -------------------------------------------------------------------------- */ * -------------------------------------------------------------------------- */
#include "openmm/VariableVerletIntegrator.h" #include "openmm/VariableVerletIntegrator.h"
#include "openmm/OpenMMContext.h" #include "openmm/Context.h"
#include "openmm/internal/OpenMMContextImpl.h" #include "openmm/internal/ContextImpl.h"
#include "openmm/kernels.h" #include "openmm/kernels.h"
#include <limits> #include <limits>
#include <string> #include <string>
...@@ -44,7 +44,7 @@ VariableVerletIntegrator::VariableVerletIntegrator(double errorTol) : errorTol(e ...@@ -44,7 +44,7 @@ VariableVerletIntegrator::VariableVerletIntegrator(double errorTol) : errorTol(e
setConstraintTolerance(1e-4); setConstraintTolerance(1e-4);
} }
void VariableVerletIntegrator::initialize(OpenMMContextImpl& contextRef) { void VariableVerletIntegrator::initialize(ContextImpl& contextRef) {
context = &contextRef; context = &contextRef;
kernel = context->getPlatform().createKernel(IntegrateVariableVerletStepKernel::Name(), contextRef); kernel = context->getPlatform().createKernel(IntegrateVariableVerletStepKernel::Name(), contextRef);
dynamic_cast<IntegrateVariableVerletStepKernel&>(kernel.getImpl()).initialize(contextRef.getSystem(), *this); dynamic_cast<IntegrateVariableVerletStepKernel&>(kernel.getImpl()).initialize(contextRef.getSystem(), *this);
......
...@@ -30,8 +30,8 @@ ...@@ -30,8 +30,8 @@
* -------------------------------------------------------------------------- */ * -------------------------------------------------------------------------- */
#include "openmm/VerletIntegrator.h" #include "openmm/VerletIntegrator.h"
#include "openmm/OpenMMContext.h" #include "openmm/Context.h"
#include "openmm/internal/OpenMMContextImpl.h" #include "openmm/internal/ContextImpl.h"
#include "openmm/kernels.h" #include "openmm/kernels.h"
#include <string> #include <string>
...@@ -44,7 +44,7 @@ VerletIntegrator::VerletIntegrator(double stepSize) { ...@@ -44,7 +44,7 @@ VerletIntegrator::VerletIntegrator(double stepSize) {
setConstraintTolerance(1e-4); setConstraintTolerance(1e-4);
} }
void VerletIntegrator::initialize(OpenMMContextImpl& contextRef) { void VerletIntegrator::initialize(ContextImpl& contextRef) {
context = &contextRef; context = &contextRef;
kernel = context->getPlatform().createKernel(IntegrateVerletStepKernel::Name(), contextRef); kernel = context->getPlatform().createKernel(IntegrateVerletStepKernel::Name(), contextRef);
dynamic_cast<IntegrateVerletStepKernel&>(kernel.getImpl()).initialize(contextRef.getSystem(), *this); dynamic_cast<IntegrateVerletStepKernel&>(kernel.getImpl()).initialize(contextRef.getSystem(), *this);
......
...@@ -44,7 +44,7 @@ class BrookKernelFactory : public KernelFactory { ...@@ -44,7 +44,7 @@ class BrookKernelFactory : public KernelFactory {
public: public:
KernelImpl* createKernelImpl( std::string name, const Platform& platform, OpenMMContextImpl& context ) const; KernelImpl* createKernelImpl( std::string name, const Platform& platform, ContextImpl& context ) const;
}; };
} // namespace OpenMM } // namespace OpenMM
......
...@@ -278,17 +278,17 @@ class OPENMM_EXPORT BrookPlatform : public Platform { ...@@ -278,17 +278,17 @@ class OPENMM_EXPORT BrookPlatform : public Platform {
FILE* getLog( void ) const; FILE* getLog( void ) const;
/** /**
* This is called whenever a new OpenMMContext is created. It gives the Platform a chance to initialize * This is called whenever a new Context is created. It gives the Platform a chance to initialize
* the context and store platform-specific data in it. * the context and store platform-specific data in it.
*/ */
void contextCreated( OpenMMContextImpl& context ) const; void contextCreated( ContextImpl& context ) const;
/** /**
* This is called whenever an OpenMMContext is deleted. It gives the Platform a chance to clean up * This is called whenever a Context is deleted. It gives the Platform a chance to clean up
* any platform-specific data that was stored in it. * any platform-specific data that was stored in it.
*/ */
void contextDestroyed( OpenMMContextImpl& context ) const; void contextDestroyed( ContextImpl& context ) const;
/** /**
* Get minSuggestedThreads * Get minSuggestedThreads
......
...@@ -77,7 +77,7 @@ class OPENMM_EXPORT BrookStreamFactory : public StreamFactory { ...@@ -77,7 +77,7 @@ class OPENMM_EXPORT BrookStreamFactory : public StreamFactory {
* @return StreamImpl * @return StreamImpl
*/ */
StreamImpl* createStreamImpl( std::string name, int size, Stream::DataType type, const Platform& platform, OpenMMContextImpl& context ) const; StreamImpl* createStreamImpl( std::string name, int size, Stream::DataType type, const Platform& platform, ContextImpl& context ) const;
/** /**
* Create StreamImpl * Create StreamImpl
......
...@@ -31,7 +31,7 @@ ...@@ -31,7 +31,7 @@
#include "BrookStreamImpl.h" #include "BrookStreamImpl.h"
#include "BrookCommon.h" #include "BrookCommon.h"
#include "openmm/OpenMMContext.h" #include "openmm/Context.h"
#include "BrookBondParameters.h" #include "BrookBondParameters.h"
namespace OpenMM { namespace OpenMM {
......
...@@ -172,11 +172,11 @@ void BrookCalcGBSAOBCForceKernel::initialize( const System& system, const GBSAOB ...@@ -172,11 +172,11 @@ void BrookCalcGBSAOBCForceKernel::initialize( const System& system, const GBSAOB
/** /**
* Compute forces given particle coordinates * Compute forces given particle coordinates
* *
* @param context OpenMMContextImpl context * @param context ContextImpl context
* *
*/ */
void BrookCalcGBSAOBCForceKernel::executeForces( OpenMMContextImpl& context ){ void BrookCalcGBSAOBCForceKernel::executeForces( ContextImpl& context ){
// --------------------------------------------------------------------------------------- // ---------------------------------------------------------------------------------------
...@@ -193,13 +193,13 @@ void BrookCalcGBSAOBCForceKernel::executeForces( OpenMMContextImpl& context ){ ...@@ -193,13 +193,13 @@ void BrookCalcGBSAOBCForceKernel::executeForces( OpenMMContextImpl& context ){
/** /**
* Execute the kernel to calculate the OBC energy * Execute the kernel to calculate the OBC energy
* *
* @param context OpenMMContextImpl context * @param context ContextImpl context
* *
* @return energy * @return energy
* *
*/ */
double BrookCalcGBSAOBCForceKernel::executeEnergy( OpenMMContextImpl& context ){ double BrookCalcGBSAOBCForceKernel::executeEnergy( ContextImpl& context ){
// --------------------------------------------------------------------------------------- // ---------------------------------------------------------------------------------------
......
...@@ -72,7 +72,7 @@ class BrookCalcGBSAOBCForceKernel : public CalcGBSAOBCForceKernel { ...@@ -72,7 +72,7 @@ class BrookCalcGBSAOBCForceKernel : public CalcGBSAOBCForceKernel {
* *
*/ */
void executeForces( OpenMMContextImpl& context ); void executeForces( ContextImpl& context );
/** /**
* Execute the kernel to calculate the energy. * Execute the kernel to calculate the energy.
...@@ -84,7 +84,7 @@ class BrookCalcGBSAOBCForceKernel : public CalcGBSAOBCForceKernel { ...@@ -84,7 +84,7 @@ class BrookCalcGBSAOBCForceKernel : public CalcGBSAOBCForceKernel {
* *
*/ */
double executeEnergy( OpenMMContextImpl& context ); double executeEnergy( ContextImpl& context );
/** /**
* Set log file reference * Set log file reference
......
...@@ -171,11 +171,11 @@ void BrookCalcHarmonicAngleForceKernel::initialize( const System& system, const ...@@ -171,11 +171,11 @@ void BrookCalcHarmonicAngleForceKernel::initialize( const System& system, const
/** /**
* Compute forces given particle coordinates * Compute forces given particle coordinates
* *
* @param context OpenMMContextImpl context * @param context ContextImpl context
* *
*/ */
void BrookCalcHarmonicAngleForceKernel::executeForces( OpenMMContextImpl& context ){ void BrookCalcHarmonicAngleForceKernel::executeForces( ContextImpl& context ){
// --------------------------------------------------------------------------------------- // ---------------------------------------------------------------------------------------
...@@ -195,13 +195,13 @@ void BrookCalcHarmonicAngleForceKernel::executeForces( OpenMMContextImpl& contex ...@@ -195,13 +195,13 @@ void BrookCalcHarmonicAngleForceKernel::executeForces( OpenMMContextImpl& contex
/** /**
* Execute the kernel to calculate the energy * Execute the kernel to calculate the energy
* *
* @param context OpenMMContextImpl context * @param context ContextImpl context
* *
* @return potential energy * @return potential energy
* *
*/ */
double BrookCalcHarmonicAngleForceKernel::executeEnergy( OpenMMContextImpl& context ){ double BrookCalcHarmonicAngleForceKernel::executeEnergy( ContextImpl& context ){
// --------------------------------------------------------------------------------------- // ---------------------------------------------------------------------------------------
......
...@@ -72,7 +72,7 @@ class BrookCalcHarmonicAngleForceKernel : public CalcHarmonicAngleForceKernel { ...@@ -72,7 +72,7 @@ class BrookCalcHarmonicAngleForceKernel : public CalcHarmonicAngleForceKernel {
* *
*/ */
void executeForces( OpenMMContextImpl& context ); void executeForces( ContextImpl& context );
/** /**
* Execute the kernel to calculate the energy. * Execute the kernel to calculate the energy.
...@@ -83,7 +83,7 @@ class BrookCalcHarmonicAngleForceKernel : public CalcHarmonicAngleForceKernel { ...@@ -83,7 +83,7 @@ class BrookCalcHarmonicAngleForceKernel : public CalcHarmonicAngleForceKernel {
* *
*/ */
double executeEnergy( OpenMMContextImpl& context ); double executeEnergy( ContextImpl& context );
/** /**
* Set log file reference * Set log file reference
......
...@@ -177,11 +177,11 @@ void BrookCalcHarmonicBondForceKernel::initialize( const System& system, const H ...@@ -177,11 +177,11 @@ void BrookCalcHarmonicBondForceKernel::initialize( const System& system, const H
/** /**
* Compute forces given particle coordinates * Compute forces given particle coordinates
* *
* @param context OpenMMContextImpl context * @param context ContextImpl context
* *
*/ */
void BrookCalcHarmonicBondForceKernel::executeForces( OpenMMContextImpl& context ){ void BrookCalcHarmonicBondForceKernel::executeForces( ContextImpl& context ){
// --------------------------------------------------------------------------------------- // ---------------------------------------------------------------------------------------
...@@ -201,13 +201,13 @@ void BrookCalcHarmonicBondForceKernel::executeForces( OpenMMContextImpl& context ...@@ -201,13 +201,13 @@ void BrookCalcHarmonicBondForceKernel::executeForces( OpenMMContextImpl& context
/** /**
* Execute the kernel to calculate the energy * Execute the kernel to calculate the energy
* *
* @param context OpenMMContextImpl context * @param context ContextImpl context
* *
* @return potential energy * @return potential energy
* *
*/ */
double BrookCalcHarmonicBondForceKernel::executeEnergy( OpenMMContextImpl& context ){ double BrookCalcHarmonicBondForceKernel::executeEnergy( ContextImpl& context ){
// --------------------------------------------------------------------------------------- // ---------------------------------------------------------------------------------------
......
...@@ -72,7 +72,7 @@ class BrookCalcHarmonicBondForceKernel : public CalcHarmonicBondForceKernel { ...@@ -72,7 +72,7 @@ class BrookCalcHarmonicBondForceKernel : public CalcHarmonicBondForceKernel {
* *
*/ */
void executeForces( OpenMMContextImpl& context ); void executeForces( ContextImpl& context );
/** /**
* Execute the kernel to calculate the energy. * Execute the kernel to calculate the energy.
...@@ -83,7 +83,7 @@ class BrookCalcHarmonicBondForceKernel : public CalcHarmonicBondForceKernel { ...@@ -83,7 +83,7 @@ class BrookCalcHarmonicBondForceKernel : public CalcHarmonicBondForceKernel {
* *
*/ */
double executeEnergy( OpenMMContextImpl& context ); double executeEnergy( ContextImpl& context );
/** /**
* Set log file reference * Set log file reference
......
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