/**
 *  \file IncrementalScoringFunction.h    \brief Simple Monte Carlo optimizer.
 *
 *  Copyright 2007-2013 IMP Inventors. All rights reserved.
 *
 */

#ifndef IMPCORE_INTERNAL_SINGLE_PARTICLE_SCORING_FUNCTION_H
#define IMPCORE_INTERNAL_SINGLE_PARTICLE_SCORING_FUNCTION_H

#include <IMP/core/core_config.h>
#include <IMP/internal/RestraintsScoringFunction.h>
#include <IMP/particle_index.h>
IMPCORE_BEGIN_INTERNAL_NAMESPACE

/** This is a scoring function that recomputes the scores that change
    when a single particle is changed. It takes a particle and a list
    of restraints that depend on it, as well as a list of ids for those
    restraints. Upon evaluation, it computes the passed restraints.

    One can go through the list of restraints and extract their last scores
    to get the scores out. It is not clear if derivatives make sense at all.
*/
class IMPCOREEXPORT SingleParticleScoringFunction:
    public IMP::internal::RestraintsScoringFunction {
  Ints indexes_;
  ParticleIndex pi_;
  Restraints all_restraints_;
  Restraints dummy_restraints_;
public:
  SingleParticleScoringFunction(ParticleIndex pi,
                                const RestraintsTemp &all_restraints,
                                std::string name
                                = "SingleParticleScoringFunction%1%");
  virtual ScoreStatesTemp get_required_score_states() const IMP_OVERRIDE;
  const Ints &get_restraint_indexes() const {
    return indexes_;
  }
  //! to add extra dependencies to handle computations that are not
  //! done through restraints. EG, special cased non-bonded.
  void add_dummy_restraint(Restraint *r);
  void clear_dummy_restraints();
  // to update the set of restraints used
  virtual void do_update_dependencies() IMP_OVERRIDE;
};
IMPCORE_END_INTERNAL_NAMESPACE

#endif  /* IMPCORE_INTERNAL_SINGLE_PARTICLE_SCORING_FUNCTION_H */