Trisurf Monte Carlo simulator
Samo Penic
2023-01-24 a8e354c7fad70eb7fdfda62ec83faf1be6c4ed44
src/cell.c
@@ -1,3 +1,4 @@
/* vim: set ts=4 sts=4 sw=4 noet : */
#include<stdlib.h>
#include "general.h"
#include "vertex.h"
@@ -5,7 +6,7 @@
ts_cell_list  *init_cell_list(ts_uint ncmax1, ts_uint ncmax2, ts_uint ncmax3, ts_double stepsize){
    ts_uint i;
    ts_uint nocells=ncmax1*ncmax2*ncmax3;
    ts_cell_list *clist=(ts_cell_list *)malloc(sizeof(ts_cell_list));
    ts_cell_list *clist=(ts_cell_list *)calloc(1,sizeof(ts_cell_list));
    if(clist==NULL) fatal("Error while allocating memory for cell list!",100);
    clist->ncmax[0]=ncmax1;
@@ -14,8 +15,8 @@
    clist->cellno=nocells;
    clist->dcell=1.0/(1.0 + stepsize);
    clist->shift=(ts_double) clist->ncmax[0]/2;
    clist->cell=(ts_cell **)malloc(nocells*sizeof(ts_cell *));
    clist->max_occupancy=16; /* hard coded max occupancy? */
    clist->cell=(ts_cell **)calloc(nocells,sizeof(ts_cell *));
    if(clist->cell==NULL) fatal("Error while allocating memory for cell list! ncmax too large?",101);
    for(i=0;i<nocells;i++){
@@ -141,6 +142,7 @@
                cell_occupation=clist->cell[neigh_cidx]->nvertex;
          //      fprintf(stderr, "cell_occupation=%i\n",cell_occupation);
                if(cell_occupation>clist->max_occupancy){
         ts_fprintf(stderr,"max occupancy= %d, cell occupation= %d", clist->max_occupancy, cell_occupation);
                    fatal("Neighbouring cell occupation more than set max_occupancy value.",2000);
                }
// Now we check whether we didn't come close to some other vertices in the same
@@ -149,10 +151,15 @@
                    for(l=0;l<cell_occupation;l++){
            //carefull with this checks!
                        if(clist->cell[neigh_cidx]->vertex[l]->idx!=vtx->idx){
                        if(clist->cell[neigh_cidx]->vertex[l]!=vtx){
                    //        fprintf(stderr,"calling dist on vertex %i\n",l);
                           dist=vtx_distance_sq(clist->cell[neigh_cidx]->vertex[l],vtx);
                    //        fprintf(stderr,"dist was %f\n",dist);
//            if(vtx->idx==1)
//            fprintf(stderr,"VTX(0) ima bliznji vertex z indeksom, %d, tipa %d \n", clist->cell[neigh_cidx]->vertex[l]->idx, clist->cell[neigh_cidx]->vertex[l]->id);
//            if(vtx->idx==0 && clist->cell[neigh_cidx]->vertex[l]->idx==0)
//                            fprintf(stderr,"*** dist was %f\n",dist);
                            if(dist<=1.0 || (dist<=clist->dmin_interspecies && (clist->cell[neigh_cidx]->vertex[l]->id != vtx->id))) return TS_FAIL;
                        }
                    }