SingletonsRestraint.h

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/**
 *  \file IMP/container/SingletonsRestraint.h
 *  \brief Apply a SingletonScore to each Singleton in a list.
 *
 *  WARNING This file was generated from SingletonsRestraint.h
 *  in /tmp/nightly-build-5687/imp-2.0.0/tools/build/container_templates/container
 *  by tools/maintenance/setup_containers.py.
 *
 *  Copyright 2007-2013 IMP Inventors. All rights reserved.
 *
 */

#ifndef IMPCONTAINER_SINGLETONS_RESTRAINT_H
#define IMPCONTAINER_SINGLETONS_RESTRAINT_H

#include <IMP/container/container_config.h>

#include <IMP/internal/InternalSingletonsRestraint.h>

#include <iostream>

IMPCONTAINER_BEGIN_NAMESPACE

//! Applies a SingletonScore to each Singleton in a list.
/** This restraint stores the used particles in a ParticlesTemp.
    The container used can be set so that the list can be shared
    with other containers (or a nonbonded list can be used). By default
    a ListSingletonContainer is used and the
    {add_, set_, clear_}particle{s} methods can be used.

    Examples using various multiplicity containers:
    \pythonexample{restrain_in_sphere}
    \pythonexample{nonbonded_interactions}

    \see IMP::core::SingletonRestraint
 */
class SingletonsRestraint :
#if defined(SWIG) || defined(IMP_DOXYGEN)
public Restraint
#else
public IMP::kernel::internal::InternalSingletonsRestraint
#endif
{
  typedef IMP::kernel::internal::InternalSingletonsRestraint P;
public:

 //! Create the restraint with a shared container
  /** \param[in] ss The function to apply to each particle.
      \param[in] pc The container containing the stored particles. This
      container is not copied.
      \param[in] name The object name
   */
  SingletonsRestraint(SingletonScore *ss,
                      SingletonContainerAdaptor pc,
                      std::string name="SingletonsRestraint %1%"):
      P(ss, pc, name)
      {}

#if defined(IMP_DOXYGEN) || defined(SWIG)
 double unprotected_evaluate(IMP::DerivativeAccumulator *accum) const;
 IMP::ModelObjectsTemp do_get_inputs() const;
 IMP_OBJECT_METHODS(SingletonsRestraint)
#endif
};

IMP_OBJECTS(SingletonsRestraint,SingletonsRestraints);

IMPCONTAINER_END_NAMESPACE

#endif  /* IMPCONTAINER_SINGLETONS_RESTRAINT_H */