/** * \file SingletonContainer.h \brief A container for particles. * * This file is generated by a script (core/tools/make-container). * Do not edit directly. * * Copyright 2007-2010 IMP Inventors. All rights reserved. */ #ifndef IMP_SINGLETON_CONTAINER_H #define IMP_SINGLETON_CONTAINER_H #include "kernel_config.h" #include "internal/IndexingIterator.h" #include "Particle.h" #include "container_base.h" #include "utility.h" #include "VersionInfo.h" #include "base_types.h" #include "Pointer.h" #include "VectorOfRefCounted.h" #include "VersionInfo.h" #include "DerivativeAccumulator.h" #include "internal/OwnerPointer.h" #include "macros.h" IMP_BEGIN_NAMESPACE class SingletonModifier; class SingletonScore; //! A shared container for particles /** Stores a searchable shared collection of particles. \ingroup restraints \implementationwithoutexample{SingletonContainer, IMP_SINGLETON_CONTAINER} */ class IMPEXPORT SingletonContainer : public Container { internal::OwnerPointer added_, removed_; struct Accessor { typedef Accessor This; typedef Particle* result_type; typedef unsigned int argument_type; result_type operator()(argument_type i) const { return o_->get_particle(i); } Accessor(SingletonContainer *pc): o_(pc){} Accessor(): o_(NULL){} IMP_COMPARISONS_1(o_); private: // This should be ref counted, but swig memory management is broken SingletonContainer* o_; }; protected: /** Containers must have containers that keep track of the particles which have been added or since the last step. These containers must be registered with the parent SingletonContainer. Containers which are themselves returned by the get_added/removed functions do not have to register such containers. */ void set_added_and_removed_containers(SingletonContainer* added, SingletonContainer* removed) { added_=added; removed_=removed; } public: #ifndef IMP_DOXYGEN bool get_is_added_or_removed_container() { return !added_; } #endif SingletonContainer(std::string name="SingletonContainer %1%"); /** \note This function may be linear. Be aware of the complexity bounds of your particular container. */ virtual bool get_contains_particle(Particle* v) const =0; //! return the number of particles in the container /** \note this isn't always constant time */ virtual unsigned int get_number_of_particles() const =0; ParticlesTemp get_particles() const { return ParticlesTemp(particles_begin(), particles_end()); } virtual Particle* get_particle(unsigned int i) const=0; #ifdef IMP_DOXYGEN //! An iterator through the contents of the container class ParticleIterator; #else typedef internal::IndexingIterator ParticleIterator; #endif //! begin iterating through the particles ParticleIterator particles_begin() const { // Since I can't make the count mutable in Object return ParticleIterator(Accessor(const_cast(this)), 0); } //! iterate through the particles ParticleIterator particles_end() const { return ParticleIterator(Accessor(const_cast(this)), get_number_of_particles()); } //! Apply a SingletonModifier to the contents virtual void apply(const SingletonModifier *sm)=0; //! Apply a SingletonModifier to the contents virtual void apply(const SingletonModifier *sm, DerivativeAccumulator &da)=0; //! Avaluate a score on the contents virtual double evaluate(const SingletonScore *s, DerivativeAccumulator *da) const=0; /** \name Incremental Scoring When incremental scoring is used, the container keeps track of changes to it since the last Model::evaluate() call. \unstable{ParticleContainer::get_removed_singletons_container()} The address of the objects returned should not change over the lifetime of this container (but, of course, their contents will). @{ */ SingletonContainer* get_removed_singletons_container() const { IMP_USAGE_CHECK(added_, "The containers returned by " << " get_added_singletons_container() do not " << " track their own added and removed contents."); SingletonContainer *ret= dynamic_cast(removed_.get()); IMP_INTERNAL_CHECK(ret, "Cannot cast object " << removed_->get_name() << " to a SingletonContainer."); return ret; } SingletonContainer* get_added_singletons_container() const { IMP_USAGE_CHECK(added_, "The containers returned by " << " get_added_singletons_container() do not " << " track their own added and removed contents."); SingletonContainer *ret= dynamic_cast(added_.get()); IMP_INTERNAL_CHECK(ret, "Cannot cast object " << added_->get_name() << " to a SingletonContainer."); return ret; } /** Return the change in score (and derivatives) since the last evaluate of the current contents of the container. */ virtual double evaluate_change(const SingletonScore *o, DerivativeAccumulator *da) const = 0; /** Return the score of the last evaluate for the current contents of the container. */ virtual double evaluate_prechange(const SingletonScore *o, DerivativeAccumulator *da) const = 0; /** @} */ #ifndef IMP_DOXYGEN Particle* get(unsigned int i) const {return get_particle(i);} bool get_contains(Particle* v) const { return get_contains_particle(v); } unsigned int get_number() const {return get_number_of_particles();} #endif IMP_REF_COUNTED_NONTRIVIAL_DESTRUCTOR(SingletonContainer); }; IMP_OUTPUT_OPERATOR(SingletonContainer); //! A collection of containers IMP_OBJECTS(SingletonContainer); /** \objects{SingletonContainer} */ /** \objectstemp{SingletonContainer} */ IMP_END_NAMESPACE #endif /* IMP_SINGLETON_CONTAINER_H */