Debugged so it does not segfaults. It seems it keeps volume constant in one...

Samo Penic

2014-04-30 dd5acac9147ee4e7a5b90f26953c19497626b945

 src/frame.c

@@ -2,57 +2,78 @@
#include "general.h"
#include "cell.h"
#include "frame.h"

ts_bool centermass(ts_vesicle *vesicle){
    ts_uint i, n=vesicle->vlist->n;
    ts_uint i,j, n=vesicle->vlist->n;
    ts_vertex **vtx=vesicle->vlist->vtx;
    vesicle->cm[0]=0;
    vesicle->cm[1]=0;
    vesicle->cm[2]=0;
    for(i=0;i<n;i++){
        vesicle->cm[0]+=vtx[i]->data->x;
        vesicle->cm[1]+=vtx[i]->data->y;
        vesicle->cm[2]+=vtx[i]->data->z; 
        vesicle->cm[0]+=vtx[i]->x;
        vesicle->cm[1]+=vtx[i]->y;
        vesicle->cm[2]+=vtx[i]->z; 
    } 
    vesicle->cm[0]/=(ts_float)n;
    vesicle->cm[1]/=(ts_float)n;
    vesicle->cm[2]/=(ts_float)n;

    for(i=0;i<n;i++){
        vtx[i]->x-=vesicle->cm[0];
        vtx[i]->y-=vesicle->cm[1];
        vtx[i]->z-=vesicle->cm[2]; 
    } 
//move polymers for the same vector as we moved vesicle
   for(i=0;i<vesicle->poly_list->n;i++){
      for(j=0;j<vesicle->poly_list->poly[i]->vlist->n;j++){
         vesicle->poly_list->poly[i]->vlist->vtx[j]->x-=vesicle->cm[0];
         vesicle->poly_list->poly[i]->vlist->vtx[j]->y-=vesicle->cm[1];
         vesicle->poly_list->poly[i]->vlist->vtx[j]->z-=vesicle->cm[2];
      }
    }
//move filaments for the same vector as we moved vesicle
   for(i=0;i<vesicle->filament_list->n;i++){
      for(j=0;j<vesicle->filament_list->poly[i]->vlist->n;j++){
         vesicle->filament_list->poly[i]->vlist->vtx[j]->x-=vesicle->cm[0];
         vesicle->filament_list->poly[i]->vlist->vtx[j]->y-=vesicle->cm[1];
         vesicle->filament_list->poly[i]->vlist->vtx[j]->z-=vesicle->cm[2];
      }
    }

    vesicle->cm[0]=0.0;
    vesicle->cm[1]=0.0;
    vesicle->cm[2]=0.0;

    return TS_SUCCESS;
}

ts_bool cell_occupation(ts_vesicle *vesicle){
    ts_uint i,cellidx, n=vesicle->vlist->n;
    ts_double shift;
    ts_double dcell;
    shift=(ts_double) vesicle->clist->ncmax[0]/2;
    dcell=1.0/(1.0 + vesicle->stepsize);
    ts_uint i,j,cellidx, n=vesicle->vlist->n;

    cell_list_cell_occupation_clear(vesicle->clist);
    for(i=0;i<n;i++){
    cellidx=vertex_self_avoidance(vesicle, vesicle->vlist->vtx[i]);
    vesicle->vlist->vtx[i]->data->cell=vesicle->clist->cell[cellidx];
//   already done in cell_add_vertex
//    vesicle->vlist->vtx[i]->cell=vesicle->clist->cell[cellidx];

    cell_add_vertex(vesicle->clist->cell[cellidx],vesicle->vlist->vtx[i]);

  //  if(ncx > vesicle->clist.ncmax[0]) vesicle->clist.ncmax[0]=ncx;
  //  if(ncy > vesicle->clist.ncmax[1]) vesicle->clist.ncmax[1]=ncy;
  //  if(ncz > vesicle->clist.ncmax[2]) vesicle->clist.ncmax[2]=ncz;
    }
    //fprintf(stderr, "Bil sem tu\n"); 


/* This was already done in previous for loop.... Have I gained some time? 


    for(i=0;i<vesicle->clist.ncmax[0]*vesicle->clist.ncmax[1]*vesicle->clist.ncmax[2];i++){
        vesicle->clist.cell[i].nvertex=0;
        for(j=0;j<vesicle->vlist.n;j++){
            //add_vertextocell;
            //add_vertextomonomer;
        }
    }

*/
   if(dcell);
   if(shift);
//Add all polymers to cells
    for(i=0;i<vesicle->poly_list->n;i++){
   for(j=0;j<vesicle->poly_list->poly[i]->vlist->n;j++){
       cellidx=vertex_self_avoidance(vesicle, vesicle->poly_list->poly[i]->vlist->vtx[j]);
       cell_add_vertex(vesicle->clist->cell[cellidx],vesicle->poly_list->poly[i]->vlist->vtx[j]);
   }
    }
//Add all filaments to cells
     for(i=0;i<vesicle->filament_list->n;i++){
   for(j=0;j<vesicle->filament_list->poly[i]->vlist->n;j++){
       cellidx=vertex_self_avoidance(vesicle, vesicle->filament_list->poly[i]->vlist->vtx[j]);
       cell_add_vertex(vesicle->clist->cell[cellidx],vesicle->filament_list->poly[i]->vlist->vtx[j]);
   }
    }
   

    return TS_SUCCESS;
}