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/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 ParticlePair
    objects of the endpoints.
    \ingroup bond
    \see Bonded
 */
class IMPATOMEXPORT BondPairContainer :
  public PairContainer
{
  IMP::OwnerPointer<SingletonContainer> sc_;
public:
 template <class F>
    void apply_generic(F* f) const {
    IMP_FOREACH_SINGLETON_INDEX(sc_, {
        Bond bp(get_model(), _1);
        f->apply_index(get_model(),
                       ParticleIndexPair(bp.get_bonded(0).get_particle_index(),
                                        bp.get_bonded(1).get_particle_index()));
      });
  }

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

  virtual ParticleIndexPairs get_indexes() const IMP_OVERRIDE;
  virtual ParticleIndexPairs get_range_indexes() const IMP_OVERRIDE;
  virtual void do_before_evaluate() IMP_OVERRIDE;
  virtual ModelObjectsTemp do_get_inputs() const IMP_OVERRIDE {
    ModelObjects ret;
    ret.push_back(sc_);
    return ret;
  }
  IMP_IMPLEMENT_PAIR_CONTAINER(BondPairContainer);
};

IMP_OBJECTS(BondPairContainer,BondPairContainers);

IMPATOM_END_NAMESPACE

#endif  /* IMPATOM_BOND_PAIR_CONTAINER_H */