/** * \file CorePairsRestraint.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 IMPCORE_INTERNAL_CORE_PAIRS_RESTRAINT_H #define IMPCORE_INTERNAL_CORE_PAIRS_RESTRAINT_H #include "../core_config.h" #include #include #include #include #include IMPCORE_BEGIN_INTERNAL_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} methods can be used. \see PairRestraint */ class IMPCOREEXPORT CorePairsRestraint : public Restraint { 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 */ CorePairsRestraint(PairScore *ss, PairContainer *pc, std::string name="PairsRestraint %1%"); IMP_INCREMENTAL_RESTRAINT(CorePairsRestraint); //! Get the container used to store Particles PairContainer* get_pair_container() { return pc_; } PairScore* get_pair_score() const { return ss_; } }; IMPCORE_END_INTERNAL_NAMESPACE #endif /* IMPCORE_INTERNAL_CORE_PAIRS_RESTRAINT_H */