BondPairContainer.h

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/**
 *  \file IMP/atom/BondPairContainer.h
 *  \brief A fake container for bonds
 *
 *  Copyright 2007-2013 IMP Inventors. All rights reserved.
 */

#ifndef IMPATOM_BOND_PAIR_CONTAINER_H
#define IMPATOM_BOND_PAIR_CONTAINER_H

#include <IMP/atom/atom_config.h>
#include "bond_decorators.h"
#include <IMP/generic.h>
#include <IMP/PairContainer.h>
#include <IMP/PairModifier.h>
#include <IMP/PairScore.h>
#include <IMP/SingletonContainer.h>
#include <IMP/scoped.h>
#include <IMP/kernel/internal/container_helpers.h>
#include <IMP/core/PairRestraint.h>

IMPATOM_BEGIN_NAMESPACE

//! A container that returns pairs of the endpoints of the bonds.
/** Turn a container of Bond particles into a container of kernel::ParticlePair
    objects of the endpoints.
    \ingroup bond
    \see Bonded
 */
class IMPATOMEXPORT BondPairContainer : public PairContainer {
  IMP::base::PointerMember<SingletonContainer> sc_;
  int sc_version_;

 public:
  template <class F>
  void apply_generic(F* f) const {
    IMP_CONTAINER_FOREACH(SingletonContainer, sc_, {
      Bond bp(get_model(), _1);
      f->apply_index(get_model(), kernel::ParticleIndexPair(
                                      bp.get_bonded(0).get_particle_index(),
                                      bp.get_bonded(1).get_particle_index()));
    });
  }

  //! The container containing the bonds
  BondPairContainer(SingletonContainer* sc);

  virtual kernel::ParticleIndexPairs get_indexes() const IMP_OVERRIDE;
  virtual kernel::ParticleIndexPairs get_range_indexes() const IMP_OVERRIDE;
  virtual void do_before_evaluate() IMP_OVERRIDE;
  virtual kernel::ModelObjectsTemp do_get_inputs() const IMP_OVERRIDE {
    kernel::ModelObjects ret;
    ret.push_back(sc_);
    return ret;
  }
  kernel::ParticleIndexes get_all_possible_indexes() const;
  IMP_PAIR_CONTAINER_METHODS(BondPairContainer);
  IMP_OBJECT_METHODS(BondPairContainer);
};

IMP_OBJECTS(BondPairContainer, BondPairContainers);

IMPATOM_END_NAMESPACE

#endif /* IMPATOM_BOND_PAIR_CONTAINER_H */