score_functor/Harmonic.h

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/**
 *  \file IMP/score_functor/Harmonic.h
 *  \brief A harmonic score on the directed distance between a pair of particles,
 *         centered at 0.
 *
 *  Copyright 2007-2019 IMP Inventors. All rights reserved.
 */

#ifndef IMPSCORE_FUNCTOR_HARMONIC_H
#define IMPSCORE_FUNCTOR_HARMONIC_H

#include <IMP/score_functor/score_functor_config.h>
#include "Score.h"
#include <IMP/algebra/utility.h>
IMPSCOREFUNCTOR_BEGIN_NAMESPACE

/** A harmonic score on the directed distance between a pair of particles,
    centered at 0.
*/
class Harmonic : public Score {
  double k_;

 public:
  Harmonic(double k) : k_(k) {}
  template <unsigned int D>
  double get_score(Model *,
                   const Array<D, ParticleIndex> &,
                   double distance) const {
    return .5 * k_ * algebra::get_squared(distance);
  }
  template <unsigned int D>
  DerivativePair get_score_and_derivative(
      Model *m, const Array<D, ParticleIndex> &p,
      double distance) const {
    return DerivativePair(get_score(m, p, distance), k_ * (distance));
  }
  double get_k() { return k_; }
  void set_k(double k) { k_ = k; }
};

IMPSCOREFUNCTOR_END_NAMESPACE

#endif /* IMPSCORE_FUNCTOR_HARMONIC_H */