BondSingletonScore.h

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/**
 *  \file IMP/atom/BondSingletonScore.h
 *  \brief A Score on the distance between a the two particles in a bond.
 *
 *  Copyright 2007-2013 IMP Inventors. All rights reserved.
 */

#ifndef IMPATOM_BOND_SINGLETON_SCORE_H
#define IMPATOM_BOND_SINGLETON_SCORE_H

#include <IMP/atom/atom_config.h>
#include "bond_decorators.h"
#include <IMP/SingletonScore.h>
#include <IMP/UnaryFunction.h>
#include <IMP/base/Pointer.h>

IMPATOM_BEGIN_NAMESPACE

//! Score the bond based on a UnaryFunction,
/** The score is based on the difference between the stored length
    and the actual length and scaled by the stiffness. That is
    stiffness * (distance-bond_length)
    \ingroup bond
    \see Bond
    \see Bonded
 */
class IMPATOMEXPORT BondSingletonScore : public SingletonScore
{
  IMP::base::OwnerPointer<UnaryFunction> f_;
public:
  //! Use f to penalize deviations in length
  BondSingletonScore(UnaryFunction *f);
  UnaryFunction *get_unary_function() const {
    return f_;
  }
  IMP_SINGLETON_SCORE(BondSingletonScore);
};

IMP_OBJECTS(BondSingletonScore,BondSingletonScores);

IMPATOM_END_NAMESPACE

#endif  /* IMPATOM_BOND_SINGLETON_SCORE_H */