/** * \file GroupnamesRestraint.h * \brief Apply a GroupnameScore to each Classname 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_GROUPNAMES_RESTRAINT_H #define IMPCONTAINER_GROUPNAMES_RESTRAINT_H #include "container_config.h" #include #include IMPCONTAINER_BEGIN_NAMESPACE //! Applies a GroupnameScore to each Classname in a list. /** This restraint stores the used particles in a Classnames. 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 ListGroupnameContainer is used and the {add_, set_, clear_}classname{s} methodas can be used. Examples using various multiplicity containers: \htmlinclude restrain_in_sphere.py.html \htmlinclude nonbonded_interactions.py.html \see GroupnameRestraint */ class IMPCONTAINEREXPORT GroupnamesRestraint : #if defined(SWIG) || defined(IMP_DOXYGEN) public Restraint #else public core::internal::CoreGroupnamesRestraint #endif { typedef core::internal::CoreGroupnamesRestraint 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 */ GroupnamesRestraint(GroupnameScore *ss, GroupnameContainer *pc, std::string name="GroupnamesRestraint %1%"); #if defined(IMP_DOXYGEN) || defined(SWIG) IMP_INCREMENTAL_RESTRAINT(GroupnamesRestraint); //! Get the container used to store Particles GroupnameContainer* get_groupname_container() { return pc_; } GroupnameScore* get_groupname_score() const { return ss_; } #else IMP_OBJECT(GroupnamesRestraint); #endif }; IMPCONTAINER_END_NAMESPACE #endif /* IMPCONTAINER_GROUPNAMES_RESTRAINT_H */