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 * Authors: Evan Pretti                                                       *
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#include "ReferenceTests.h"
#include "TestConstantPotentialForce.h"

void platformInitialize() {
}

void testGradientFiniteDifference(ConstantPotentialForce::ConstantPotentialMethod method, bool usePreconditioner) {
    // Ensures that computed forces match actual changes in energy with particle
    // perturbations, accounting for changes in electrode atom charges.

    // Finite differences with single precision PME have a lot of error, so we
    // only run this test on the reference platform, and the other platforms'
    // forces are compared to forces computed by the reference platform.

    System system;
    ConstantPotentialForce* force;
    vector<Vec3> positions;
    makeTestUpdateSystem(method, usePreconditioner, system, force, positions);
    force->setEwaldErrorTolerance(2e-6);
    VerletIntegrator integrator(0.001);
    Context context(system, integrator, platform);
    context.setPositions(positions);

    State state = context.getState(State::Energy | State::Forces);
    double energy = state.getPotentialEnergy();
    vector<Vec3> forces = state.getForces();

    double delta = 1e-3;
    for (int i = 0; i < forces.size(); i++) {
        for (int d = 0; d < 3; d++) {
            double refPos = positions[i][d];

            positions[i][d] = refPos - delta;
            context.setPositions(positions);
            vector<double> c;
            double energyL = context.getState(State::Energy).getPotentialEnergy();
            positions[i][d] = refPos + delta;
            context.setPositions(positions);
            double energyR = context.getState(State::Energy).getPotentialEnergy();
            positions[i][d] = refPos;

            ASSERT_EQUAL_TOL((energyR - energyL) / (2 * delta), -forces[i][d], 5e-4);
        }
    }
}

void runPlatformTests(ConstantPotentialForce::ConstantPotentialMethod method, bool usePreconditioner) {
    testEnergyConservation(method, usePreconditioner, 10);
    testGradientFiniteDifference(method, usePreconditioner);
}