/** * \file KMLProxy.h \brief proxy to k-means * * Copyright 2007-2013 IMP Inventors. All rights reserved. * */ #ifndef IMPSTATISTICS_INTERNAL_KML_PROXY_H #define IMPSTATISTICS_INTERNAL_KML_PROXY_H #include #include "KMTerminationCondition.h" #include "KMData.h" #include "KMFilterCenters.h" #include "KMLocalSearch.h" #include "KMLocalSearchLloyd.h" #include #include #include #include #include #include #include IMPSTATISTICS_BEGIN_INTERNAL_NAMESPACE #ifndef IMP_DOXYGEN inline double elapsed_time(clock_t start) { return double(clock() - start)/double(CLOCKS_PER_SEC); } #endif //! Proxy to apply k-means clustering on a set of Particles /** \see ParticlesEmbedding */ class IMPSTATISTICSEXPORT KMLProxy { public: KMLProxy(); //! Initialize the proxy /** \param[in] m IMP model \param[in] ps The set of particles to apply the k-means on \param[in] atts The set of attributes of the particles participating in the clustering \param[in] num_centers The number of clusters */ void initialize(Model *m,const Particles &ps, const FloatKeys &atts, unsigned int num_centers); //! Run the k-means algorithm /** \param[in] ps a set of particles which are the initial k-means. If non are provided, the initial ones are set randomly. */ void run(Particles *ps=nullptr); std::string get_cmm_string() const; void log_header() const; // Particles get_particles_for_center(unsigned int k) const; unsigned int get_particle_assignment(Particle *p) const; Particles get_centers() const {return centroids_;} protected: void log_summary(KMFilterCentersResults *ctrs, Float run_time, std::ostream &out=std::cout) const; void reset(); bool is_init_; bool is_calculated; void set_default_values(); //kmean data structure for handling the input data KMData *data_; // particles in KM data structure unsigned int dim_;// dimension unsigned int data_size_;// data size unsigned int kcenters_;// number of centers //kmean optimization parameters unsigned int max_swaps_; // max number of swaps Float damp_factor_;// Lloyd's dampening factor unsigned int n_color_; bool new_clust_; // new clusters flag unsigned int max_dim_; // max flat dimension DistributionType distr_; // distribution //TODO - return when relevant Float std_dev_; // standard deviation Float corr_coef_; // correlation coef Float clus_sep_;//cluster seperation unsigned int max_visit_; // number of points visited unsigned int seed_; // seed for random numbers KMLocalSearchLloyd *lloyd_alg_; //Lloyd algorithm Float kc_build_time_; // execution times bool print_points_;// print points? bool show_assign_;// show point assignments? bool validate_;// validate point assignments? KMTerminationCondition term_;// termination parameters // our data Model *m_; Particles ps_; //input particles Particles centroids_; // the k means as particles base::Vector atts_; // the attributes k-means in minimized on std::map assignment_; // the assignment of input data to centers }; IMPSTATISTICS_END_INTERNAL_NAMESPACE #endif /* IMPSTATISTICS_INTERNAL_KML_PROXY_H */