ExamplePairScore.h

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/**
 *  \file IMP/example/ExamplePairScore.h
 *  \brief A Score on the distance between a pair of particles.
 *
 *  Copyright 2007-2026 IMP Inventors. All rights reserved.
 */

#ifndef IMPEXAMPLE_EXAMPLE_PAIR_SCORE_H
#define IMPEXAMPLE_EXAMPLE_PAIR_SCORE_H

#include <IMP/example/example_config.h>
#include <IMP/core/XYZ.h>
#include <IMP/PairScore.h>
#include <IMP/pair_macros.h>
#include <IMP/UnaryFunction.h>
#include <IMP/Pointer.h>
#include <cereal/access.hpp>

IMPEXAMPLE_BEGIN_NAMESPACE

//! Apply a harmonic to the distance between two particles.
/** The source code is as follows:
    \include ExamplePairScore.h
    \include ExamplePairScore.cpp
*/
class IMPEXAMPLEEXPORT ExamplePairScore : public PairScore {
  double x0_, k_;

 public:
  ExamplePairScore(double x0, double k);
  ExamplePairScore() {}

  double get_mean() const { return x0_; }
  double get_force_constant() const { return k_; }

  virtual double evaluate_index(Model *m,
                                const ParticleIndexPair &p,
                                DerivativeAccumulator *da) const override;
  virtual ModelObjectsTemp do_get_inputs(
      Model *m, const ParticleIndexes &pis) const override;
  IMP_PAIR_SCORE_METHODS(ExamplePairScore);
  IMP_OBJECT_METHODS(ExamplePairScore);

  // Serialization support
 private:
  friend class cereal::access;
  template<class Archive> void serialize(Archive &ar) {
    ar(cereal::base_class<PairScore>(this), x0_, k_);
  }
  IMP_OBJECT_SERIALIZE_DECL(ExamplePairScore);

};

IMP_OBJECTS(ExamplePairScore, ExamplePairScores);

IMPEXAMPLE_END_NAMESPACE

#endif /* IMPEXAMPLE_EXAMPLE_PAIR_SCORE_H */