/** * \file MovedSingletonContainer.h * \brief Keep track of the maximum change of a set of attributes. * * Copyright 2007-2010 IMP Inventors. All rights reserved. */ #ifndef IMPCORE_INTERNAL_MOVED_SINGLETON_CONTAINER_H #define IMPCORE_INTERNAL_MOVED_SINGLETON_CONTAINER_H #include "../core_config.h" #include #include #include #include #include #include "../XYZR.h" #include "../rigid_bodies.h" #include "singleton_helpers.h" #include #include IMPCORE_BEGIN_INTERNAL_NAMESPACE namespace { class SaveXYZRRotValues:public SingletonModifier { protected: std::vector, algebra::Rotation3D> > &values_; mutable int i_; void do_apply(Particle *p) const { XYZR d(p); IMP_INTERNAL_CHECK(values_.size() > static_cast(i_), "Wrong size of values_."); values_[i_].first= d.get_sphere(); if (RigidBody::particle_is_instance(p)) { RigidBody rb(p); values_[i_].second = rb.get_transformation().get_rotation(); } ++i_; } public: typedef std::pair, algebra::Rotation3D> Value; SaveXYZRRotValues(std::vector &values): SingletonModifier("SaveXYZRRotValues"), values_(values) { i_=0; } IMP_INTERNAL_SINGLETON_MODIFIER(SaveXYZRRotValues, do_apply(p);) }; class SaveXYZRValues:public SingletonModifier { protected: std::vector > &values_; mutable int i_; void do_apply(Particle* p) const { XYZR d(p); IMP_INTERNAL_CHECK(values_.size() > static_cast(i_), "Wrong size of values_."); values_[i_]= d.get_sphere(); ++i_; } public: typedef algebra::SphereD<3> Value; SaveXYZRValues(std::vector > &values): SingletonModifier("SaveXYZRValues"), values_(values) { i_=0; } IMP_INTERNAL_SINGLETON_MODIFIER(SaveXYZRValues, { do_apply(p); }) }; template class SaveMovedValues:public P { const ParticlesTemp &moved_; void do_apply(Particle *p) const { if (std::binary_search(moved_.begin(), moved_.end(), p)) { P::apply(p); } else { ++P::i_; } } public: SaveMovedValues(std::vector &values, const ParticlesTemp &moved): P(values), moved_(moved){ } IMP_INTERNAL_SINGLETON_MODIFIER(SaveMovedValues, do_apply(p);) }; inline bool moved_threshold(Particle *p, const algebra::SphereD<3> &old, bool incremental, double threshold, double &dist2, double &dr, double &dist, bool has_dist) { if (incremental && !p->get_is_changed()) { has_dist=false; return false; } XYZR d(p); dist2=(d.get_coordinates()- old.get_center()).get_squared_magnitude(); dr= std::abs(old.get_radius()-d.get_radius()); if (square(threshold) > dist2+ dist2*dr + square(dr)) { has_dist=false; return false; } else { dist= std::sqrt(dist2); has_dist=true; return threshold < dist + dr; } } class ListXYZRRotMovedParticles:public SingletonModifier { std::vector, algebra::Rotation3D> > &values_; mutable ParticlesTemp &pt_; double threshold_; mutable unsigned int i_; bool incremental_; void do_apply(Particle *p) const { double dist2=-1, dr, dist; bool has_dist=false; // suppress warning IMP_INTERNAL_CHECK(values_.size() > i_, "Wrong size of values_."); if (moved_threshold(p, values_[i_].first, incremental_, threshold_, dist2, dr, dist, has_dist)) { pt_.push_back(p); } else { if (!has_dist) { dist= std::sqrt(dist2); } if (RigidBody::particle_is_instance(p)) { RigidBody rb(p); algebra::Rotation3D rd = values_[i_].second/rb.get_transformation().get_rotation(); algebra::VectorD<3> rv(0,0,XYZR(p).get_radius()); algebra::VectorD<3> rvr= rd.get_rotated(rv); if (dist + (rv-rvr).get_magnitude() > threshold_) { pt_.push_back(p); } } } ++i_; } public: ListXYZRRotMovedParticles(std::vector, algebra::Rotation3D> > &values, ParticlesTemp &pt, double threshold, bool incremental): SingletonModifier("ListXYZRRotMoved"), values_(values), pt_(pt), threshold_(threshold), i_(0), incremental_(incremental){ } IMP_INTERNAL_SINGLETON_MODIFIER(ListXYZRRotMovedParticles, do_apply(p);); }; class ListXYZRMovedParticles:public SingletonModifier { std::vector > &values_; mutable ParticlesTemp &pt_; double threshold_; mutable unsigned int i_; bool incremental_; void do_apply(Particle *p ) const { double dist2, dr, dist; bool has_dist=false; if (moved_threshold(p, values_[i_], incremental_, threshold_, dist2, dr, dist, has_dist)) { pt_.push_back(p); } ++i_; } public: ListXYZRMovedParticles(std::vector > &values, ParticlesTemp &pt, double threshold, bool incremental): SingletonModifier("ListXYZRMoved"), values_(values), pt_(pt), threshold_(threshold), i_(0), incremental_(incremental){ } IMP_INTERNAL_SINGLETON_MODIFIER(ListXYZRMovedParticles, do_apply(p);); }; } class IMPCOREEXPORT MovedSingletonContainer: public ListLikeSingletonContainer { protected: double threshold_; Pointer pc_; bool first_call_; IMP_ACTIVE_CONTAINER_DECL(MovedSingletonContainer); virtual void save()=0; virtual void save_moved()=0; virtual void update_list()=0; using ListLikeSingletonContainer::update_list; public: //! Track the changes with the specified keys. MovedSingletonContainer(Model *m, SingletonContainer *pc, double threshold); //! Measure differences from the current value. void reset(); //! Reset the positions for the moved particles void reset_moved(); void update() { ticker_.get_score_state()->before_evaluate(); } //! Return the container storing the particles SingletonContainer *get_singleton_container() const { return pc_; } void set_threshold(double d); IMP_LISTLIKE_SINGLETON_CONTAINER(MovedSingletonContainer); }; template class MovedSingletonContainerImpl: public MovedSingletonContainer { std::vector backup_; virtual void save() { //backup_.clear(); backup_.resize(MovedSingletonContainer ::pc_->get_number_of_particles()); IMP_NEW(Save, rv, (backup_)); rv->set_was_used(true); MovedSingletonContainer::pc_->apply(rv); } virtual void save_moved() { if (MovedSingletonContainer::pc_->get_number_of_particles() != 0) { IMP_NEW(SaveMoved, cv, (backup_, access())); cv->set_was_used(true); MovedSingletonContainer::pc_->apply(cv); } } virtual void update_list() { if (MovedSingletonContainer::pc_->get_number_of_particles() != 0) { bool incr= MovedSingletonContainer ::pc_->get_particle(0)->get_model()->get_is_incremental(); ParticlesTemp ret; IMP_NEW(ListMoved, cv, (backup_, ret, MovedSingletonContainer::threshold_, incr)); cv->set_was_used(true); MovedSingletonContainer::pc_->apply(cv); add_to_list(ret); } } public: //! Track the changes with the specified keys. MovedSingletonContainerImpl(Model *m, SingletonContainer *pc, double threshold): MovedSingletonContainer(m,pc, threshold){ if (this==0) { // is this legit? save(); save_moved(); update_list(); } } }; IMPCORE_END_INTERNAL_NAMESPACE #endif /* IMPCORE_INTERNAL_MOVED_SINGLETON_CONTAINER_H */