/** * \file PairsRestraint.h * \brief Apply a PairScore to each ParticlePair in a list. * * This file is generated by a script (core/tools/make-container). * Do not edit directly. * * Copyright 2007-2010 IMP Inventors. All rights reserved. * */ #ifndef IMPCONTAINER_PAIRS_RESTRAINT_H #define IMPCONTAINER_PAIRS_RESTRAINT_H #include "container_config.h" #include #include IMPCONTAINER_BEGIN_NAMESPACE //! Applies a PairScore to each ParticlePair in a list. /** This restraint stores the used particles in a ParticlePairs. 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 ListPairContainer is used and the {add_, set_, clear_}particle_pair{s} methodas can be used. Examples using various multiplicity containers: \htmlinclude restrain_in_sphere.py.html \htmlinclude nonbonded_interactions.py.html \see PairRestraint */ class IMPCONTAINEREXPORT PairsRestraint : #if defined(SWIG) || defined(IMP_DOXYGEN) public Restraint #else public core::internal::CorePairsRestraint #endif { typedef core::internal::CorePairsRestraint P; IMP::internal::OwnerPointer ss_; IMP::internal::OwnerPointer pc_; mutable double score_; 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 */ PairsRestraint(PairScore *ss, PairContainer *pc, std::string name="PairsRestraint %1%"); #if defined(IMP_DOXYGEN) || defined(SWIG) IMP_INCREMENTAL_RESTRAINT(PairsRestraint); //! Get the container used to store Particles PairContainer* get_pair_container() { return pc_; } PairScore* get_pair_score() const { return ss_; } #else IMP_OBJECT(PairsRestraint); #endif }; IMPCONTAINER_END_NAMESPACE #endif /* IMPCONTAINER_PAIRS_RESTRAINT_H */