ReferenceRGForce.h

/* Portions copyright (c) 2025 Stanford University and Simbios.
 * Contributors: Peter Eastman
 *
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 * a copy of this software and associated documentation files (the
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 * permit persons to whom the Software is furnished to do so, subject
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 * The above copyright notice and this permission notice shall be included
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#ifndef __ReferenceRGForce_H__
#define __ReferenceRGForce_H__

#include "openmm/RGForce.h"
#include <vector>

namespace OpenMM {

class ReferenceRGForce {
private:
    std::vector<int> particles;

public:
    /**
     * Constructor
     */
    ReferenceRGForce(std::vector<int>& particles);

    /**
     * Calculate the interaction.
     * 
     * @param atomCoordinates    atom coordinates
     * @param forces             the forces are added to this
     * @return the energy of the interaction
     */
   double calculateIxn(std::vector<OpenMM::Vec3>& atomCoordinates, std::vector<OpenMM::Vec3>& forces) const;
};

} // namespace OpenMM

#endif // __ReferenceRGForce_H__