PythonForce.cpp

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 *                                   OpenMM                                   *
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 * This is part of the OpenMM molecular simulation toolkit.                   *
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 * Authors: Peter Eastman                                                     *
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#include "openmm/PythonForce.h"
#include "openmm/internal/PythonForceImpl.h"

using namespace OpenMM;
using namespace std;

PythonForce::PythonForce(PythonForceComputation* computation, const map<string, double>& globalParameters, const vector<int>& particles) :
        computation(computation), globalParameters(globalParameters), usePeriodic(false), particles(particles) {
}

PythonForce::~PythonForce() {
    delete computation;
}

const PythonForceComputation& PythonForce::getComputation() const {
    return *computation;
}

const map<string, double>& PythonForce::getGlobalParameters() const {
    return globalParameters;
}

void PythonForce::setParticles(const std::vector<int>& particles) {
    this->particles = particles;
}

bool PythonForce::usesPeriodicBoundaryConditions() const {
    return usePeriodic;
}

void PythonForce::setUsesPeriodicBoundaryConditions(bool periodic) {
    usePeriodic = periodic;
}

const vector<char>& PythonForce::getPickledFunction() const {
    return pickled;
}

void PythonForce::setPickledFunction(char* function, int length) {
    pickled.clear();
    for (int i = 0; i < length; i++)
        pickled.push_back(function[i]);
}

ForceImpl* PythonForce::createImpl() const {
    return new PythonForceImpl(*this);
}