/* -------------------------------------------------------------------------- *
 *                                   OpenMM                                   *
 * -------------------------------------------------------------------------- *
 * This is part of the OpenMM molecular simulation toolkit.                   *
 * See https://openmm.org/development.                                        *
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 * Portions copyright (c) 2025-2026 Stanford University and the Authors.      *
 * Authors: Peter Eastman                                                     *
 * Contributors:                                                              *
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#include "openmm/OpenMMException.h"
#include "openmm/internal/ContextImpl.h"
#include "openmm/internal/PythonForceImpl.h"
#include "openmm/kernels.h"
#include <set>
#include <sstream>

using namespace OpenMM;
using namespace std;

PythonForceImpl::PythonForceImpl(const PythonForce& owner) : owner(owner), computation(owner.getComputation()),
        defaultParameters(owner.getGlobalParameters()), usePeriodic(owner.usesPeriodicBoundaryConditions()) {
    forceGroup = owner.getForceGroup();
}

PythonForceImpl::~PythonForceImpl() {
}

void PythonForceImpl::initialize(ContextImpl& context) {
    kernel = context.getPlatform().createKernel(CalcPythonForceKernel::Name(), context);
    kernel.getAs<CalcPythonForceKernel>().initialize(context, owner);
}

double PythonForceImpl::calcForcesAndEnergy(ContextImpl& context, bool includeForces, bool includeEnergy, int groups) {
    if ((groups&(1<<forceGroup)) != 0)
        return kernel.getAs<CalcPythonForceKernel>().execute(context, includeForces, includeEnergy);
    return 0.0;
}

vector<string> PythonForceImpl::getKernelNames() {
    return {CalcCustomCPPForceKernel::Name()};
}

map<string, double> PythonForceImpl::getDefaultParameters() {
    return defaultParameters;
}