VolumeRestraint.h

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/**
 *  \file IMP/core/VolumeRestraint.h
 *  \brief A prevent spheres from inter-penetrating
 *
 *  Copyright 2007-2013 IMP Inventors. All rights reserved.
 */

#ifndef IMPCORE_VOLUME_RESTRAINT_H
#define IMPCORE_VOLUME_RESTRAINT_H

#include <IMP/core/core_config.h>
#include <IMP/SingletonContainer.h>
#include <IMP/Restraint.h>
#include <IMP/UnaryFunction.h>
#include <IMP/restraint_macros.h>

IMPCORE_BEGIN_NAMESPACE
#if defined(IMP_CORE_USE_IMP_CGAL) || defined(IMP_DOXYGEN)
//! Restraint the volume of a set of spheres
/** \note This restraint does not support derivatives.
    \note This restraint requires CGAL.*/
class IMPCOREEXPORT VolumeRestraint: public Restraint
{
  IMP::OwnerPointer<SingletonContainer> sc_;
  IMP::OwnerPointer<UnaryFunction> f_;
  double volume_;
public:
  VolumeRestraint(UnaryFunction *f,
                  SingletonContainer *sc,
                  double volume);

  IMP_RESTRAINT(VolumeRestraint);
};
#endif

IMPCORE_END_NAMESPACE

#endif  /* IMPCORE_VOLUME_RESTRAINT_H */