HashPairBuilderPeriodic.h

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#ifndef HASH_PAIR_BUILDER_PERIODIC_H
#define HASH_PAIR_BUILDER_PERIODIC_H
 
#include <algorithm>
#include <limits>
#include <cmath>
#include <set>
 
template<class PBase>
class HashPairBuilderPeriodic
{
public:
    enum { Dim = PBase::Dim };
    typedef typename PBase::Position_t      Position_t;
 
    HashPairBuilderPeriodic(PBase &p) : particles(p) { }
 
    template<class Pred, class OP>
    void for_each(const Pred& pred, const OP &op,Vektor<double,3> extend_l, Vektor<double,3> extend_r )
    {
        const std::size_t END = std::numeric_limits<std::size_t>::max();
        std::size_t size = particles.getLocalNum()+particles.getGhostNum();
 
        rmin_m = extend_l;
        rmax_m = extend_r;
 
        Vektor<double,3> period = extend_r-extend_l;
 
        Inform dmsg("debug_msg:");
        dmsg << "R_min = " << rmin_m << " R_max = " << rmax_m << endl;
 
        //make sure that the chaining mesh covers the whole domain and has a gridwidth>r_cut
        buckets_per_dim[0]=floor(period[0]/pred.getRange(0));
        buckets_per_dim[1]=floor(period[1]/pred.getRange(1));
        buckets_per_dim[2]=floor(period[2]/pred.getRange(2));
 
        for (unsigned dim = 0; dim<3; ++dim)
            h_chaining[dim] = period[dim]/buckets_per_dim[dim];
 
        dmsg << " period = " << period << endl;
        dmsg << "buckets per dim = " << buckets_per_dim << endl;
        dmsg << "h_chaining = " << h_chaining << endl;
 
        std::size_t Nbucket = buckets_per_dim[0]*buckets_per_dim[1]*buckets_per_dim[2];
 
        std::size_t *buckets = new size_t[Nbucket]; //index of first particle in this bucket
        std::size_t *next = new size_t[size]; //index of next particle in this bucket. END indicates last particle of bucket
        std::fill(buckets, buckets+Nbucket, END);
        std::fill(next, next+size, END);
 
        //in 3D we interact with 14 neighboring cells (including self cell interaction)
        unsigned neigh = 14;
 
        int offset[14][3] = {{ 1, 1, 1}, { 0, 1, 1}, {-1, 1, 1},
            { 1, 0, 1}, { 0, 0, 1}, {-1, 0, 1},
            { 1,-1, 1}, { 0,-1, 1}, {-1,-1, 1},
            { 1, 1, 0}, { 0, 1, 0}, {-1, 1, 0},
            { 1, 0, 0}, { 0, 0, 0}};
 
        //assign all particles to a bucket
        for(std::size_t i = 0;i<size;++i) {
            unsigned bucket_id = get_bucket_id(i,pred);
            next[i] = buckets[bucket_id];
            buckets[bucket_id] = i;
        }
 
        //loop over all buckets
        for (int bx=0; bx<buckets_per_dim[0]; ++bx) {
            for (int by=0; by<buckets_per_dim[1]; ++by) {
                for (int bz=0; bz<buckets_per_dim[2]; ++bz) {
                    unsigned bucket_id_self = bz*buckets_per_dim[1]*buckets_per_dim[0]+by*buckets_per_dim[0]+bx;
                    //compute index of neighboring bucket to interact with
                    for (unsigned n=0; n<neigh;++n){
                        int bx_neigh, by_neigh, bz_neigh;
                        Vektor<double,3> shift(0,0,0);
 
                        bx_neigh = bx+offset[n][0];
                        if (bx_neigh < 0) {
                            //bucket in -x direction exceed domain boundary
                            bx_neigh+=buckets_per_dim[0];//consider last bucket in +x instead
                            shift[0] = -period[0];//shift particles in negative x direction by domain size
                        }
                        else if (bx_neigh >= buckets_per_dim[0]) {
                            //bucket in +x direction exceeds domain boundary
                            bx_neigh -=buckets_per_dim[0];//consider first bucket in +x instead
                            shift[0] = period[0];//shift particles in positive x direction by domain size
                        }
                        //do the same for y and z direction:
                        by_neigh = by+offset[n][1];
                        if (by_neigh < 0) {
                            by_neigh+=buckets_per_dim[1];
                            shift[1] = -period[1];
                        }
                        else if (by_neigh >= buckets_per_dim[1]) {
                            by_neigh -=buckets_per_dim[1];
                            shift[1] = period[1];
                        }
                        bz_neigh = bz+offset[n][2];
                        if (bz_neigh < 0) {
                            bz_neigh+=buckets_per_dim[2];
                            shift[2] = -period[2];
                        }
                        else if (bz_neigh >= buckets_per_dim[2]) {
                            bz_neigh -=buckets_per_dim[2];
                            shift[2] = period[2];
                        }
 
                        if (bx_neigh >= 0 && bx_neigh<buckets_per_dim[0] &&
                            by_neigh >= 0 && by_neigh<buckets_per_dim[1] &&
                            bz_neigh >= 0 && bz_neigh<buckets_per_dim[2]) {
 
                            //compute bucket id of neighboring cell
                            unsigned bucket_id_neigh =
                            bz_neigh*buckets_per_dim[1]*buckets_per_dim[0]+by_neigh*buckets_per_dim[0]+bx_neigh;
 
                            std::size_t i = buckets[bucket_id_self];
                            std::size_t j;
                            //loop over all particles in self cell
                            //self offset avoids double counting in self cell
                            int self_offset = 0;
                            while (i != END) {
                                j = buckets[bucket_id_neigh];
                                //increase offset by number of processed particles in self cell
                                for (int o=0;o<self_offset;o++){
                                    j = next[j];
                                }
                                //loop over all particles in nieghbor cell
                                while(j != END) {
                                    if(pred(particles.R[i], particles.R[j]+shift, period))
                                    {
                                        if (i!=j) { //because particle i's interaction with itself cancells out
                                            op(i, j, particles, shift);
                                        }
                                    }
                                    j = next[j];
                                }
                                i = next[i];
                                //adjust self_offset
                                if (bucket_id_self==bucket_id_neigh)
                                    self_offset++;
                                else
                                    self_offset=0;
                            }
                        }
                    }
 
                }
            }
        }
        delete[] buckets;
        delete[] next;
    }
private:
 
    //returns the bucket id of particle i
    template<class Pred>
    int get_bucket_id(int i, const Pred& /*pred*/)
    {
        Vektor<int,3> loc;
        for (unsigned d=0; d<3; ++d)
            loc[d] = (particles.R[i][d]-rmin_m[d])/h_chaining[d];
        //loc[d] = (particles.R[i][d]-rmin_m[d])/pred.getRange(d);
        int bucket_id = loc[2]*buckets_per_dim[1]*buckets_per_dim[0]+loc[1]*buckets_per_dim[0]+loc[0];
        //std::cout << "bucket id of particle " << i << "with coords " << particles.R[i] << " = [" << loc[0] << "," << loc[1] << "," << loc[2] << "] => bucket id = "  << bucket_id << std::endl;
        //std::cout << particles.R[i][0] << "," << particles.R[i][1] << "," << particles.R[i][2] << "," << bucket_id << std::endl;
 
        return bucket_id;
    }
 
    PBase &particles;
    Vektor<int,3> buckets_per_dim;
 
    Vektor<double,3> h_chaining;
    Vektor<double,3> rmin_m;
    Vektor<double,3> rmax_m;
};
 
 
#endif