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

using namespace OpenMM;
using namespace std;

OrientationRestraintForceImpl::OrientationRestraintForceImpl(const OrientationRestraintForce& owner) : owner(owner) {
    forceGroup = owner.getForceGroup();
}

OrientationRestraintForceImpl::~OrientationRestraintForceImpl() {
}

void OrientationRestraintForceImpl::initialize(ContextImpl& context) {
    kernel = context.getPlatform().createKernel(CalcOrientationRestraintForceKernel::Name(), context);

    // Check for errors in the specification of particles.
    const System& system = context.getSystem();
    int numParticles = system.getNumParticles();
    if (owner.getReferencePositions().size() != numParticles)
        throw OpenMMException("OrientationRestraintForce: Number of reference positions does not equal number of particles in the System");
    set<int> particles;
    for (int i : owner.getParticles()) {
        if (i < 0 || i >= numParticles) {
            stringstream msg;
            msg << "OrientationRestraintForce: Illegal particle index: ";
            msg << i;
            throw OpenMMException(msg.str());
        }
        if (particles.find(i) != particles.end()) {
            stringstream msg;
            msg << "OrientationRestraintForce: Duplicated particle index: ";
            msg << i;
            throw OpenMMException(msg.str());
        }
        particles.insert(i);
    }
    kernel.getAs<CalcOrientationRestraintForceKernel>().initialize(context.getSystem(), owner);
}

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

vector<string> OrientationRestraintForceImpl::getKernelNames() {
    return {CalcOrientationRestraintForceKernel::Name()};
}

void OrientationRestraintForceImpl::updateParametersInContext(ContextImpl& context) {
    kernel.getAs<CalcOrientationRestraintForceKernel>().copyParametersToContext(context, owner);
    context.systemChanged();
}
