BondedPairFilter.h

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/**
 *  \file atom/BondedPairFilter.h
 *  \brief A fake container for bonds
 *
 *  Copyright 2007-2011 IMP Inventors. All rights reserved.
 */

#ifndef IMPATOM_BONDED_PAIR_FILTER_H
#define IMPATOM_BONDED_PAIR_FILTER_H

#include "atom_config.h"
#include "bond_decorators.h"
#include <IMP/PairFilter.h>

IMPATOM_BEGIN_NAMESPACE

//! A filter for bonds.
/** This is to be used with a core::ClosePairsScoreState to exclude all
    bonded pairs.
    \ingroup bond
    \see Bonded
 */
class IMPATOMEXPORT BondedPairFilter : public PairFilter
{
public:
  //! no arguments
  BondedPairFilter();

  IMP_PAIR_FILTER(BondedPairFilter);
};

inline bool BondedPairFilter
::get_contains_particle_pair(const ParticlePair& pp) const {
  if (!Bonded::particle_is_instance(pp[0])
      || ! Bonded::particle_is_instance(pp[1])) {
    return false;
  }
  Bonded ba(pp[0]);
  Bonded bb(pp[1]);
  Bond bd=get_bond(ba, bb);
  return bd != Bond();
}

IMP_OBJECTS(BondedPairFilter,BondedPairFilters);

IMPATOM_END_NAMESPACE

#endif  /* IMPATOM_BONDED_PAIR_FILTER_H */