Trisurf Monte Carlo simulator
Samo Penic
2019-10-16 4a35612678295c86677923de3fa5d43e90371667
src/io.c
@@ -1,4 +1,3 @@
/* vim: set ts=4 sts=4 sw=4 noet : */
#include "general.h"
#include<stdio.h>
@@ -18,421 +17,6 @@
#include <dirent.h>
#include <errno.h>
#include <snapshot.h>
/** DUMP STATE TO DISK DRIVE **/
ts_bool dump_state(ts_vesicle *vesicle, ts_uint iteration){
    /* save current state with wrong pointers. Will fix that later */
    ts_uint i,j,k;
    FILE *fh=fopen(command_line_args.dump_fullfilename,"wb");
    /* dump vesicle */
    fwrite(vesicle, sizeof(ts_vesicle)-sizeof(ts_double),1,fh);
    /* dump vertex list */
    fwrite(vesicle->vlist, sizeof(ts_vertex_list),1,fh);
    /* dump bond list */
    fwrite(vesicle->blist, sizeof(ts_bond_list),1,fh);
    /* dump triangle list */
    fwrite(vesicle->tlist, sizeof(ts_triangle_list),1,fh);
    /* dump cell list */
    fwrite(vesicle->clist, sizeof(ts_cell_list),1,fh);
    /* dump poly list */
    fwrite(vesicle->poly_list, sizeof(ts_poly_list),1,fh);
    /* dump filament list */
    fwrite(vesicle->filament_list, sizeof(ts_poly_list),1,fh);
    /* level 1 complete */
    /*dump vertices*/
    for(i=0;i<vesicle->vlist->n;i++){
        fwrite(vesicle->vlist->vtx[i],sizeof(ts_vertex),1,fh);
        /* dump pointer offsets for:
                    neigh
                    bond
                    tria
                    cell is ignored
        */
        for(j=0;j<vesicle->vlist->vtx[i]->neigh_no;j++){
            fwrite(&vesicle->vlist->vtx[i]->neigh[j]->idx,sizeof(ts_uint),1,fh);
        }
        for(j=0;j<vesicle->vlist->vtx[i]->bond_no;j++){
            fwrite(&vesicle->vlist->vtx[i]->bond[j]->idx,sizeof(ts_uint),1,fh);
        }
        for(j=0;j<vesicle->vlist->vtx[i]->tristar_no;j++){
            fwrite(&vesicle->vlist->vtx[i]->tristar[j]->idx,sizeof(ts_uint),1,fh);
        }
    }
    /*dump bonds*/
    for(i=0;i<vesicle->blist->n;i++){
        fwrite(vesicle->blist->bond[i],sizeof(ts_bond),1,fh);
        /* dump pointer offsets for vtx1 and vtx2 */
        //off=(ts_ulong)(vesicle->blist->bond[i]->vtx1-vesicle->vlist->vtx[0]);
        fwrite(&vesicle->blist->bond[i]->vtx1->idx,sizeof(ts_uint),1,fh);
        //off=(ts_ulong)(vesicle->blist->bond[i]->vtx2-vesicle->vlist->vtx[0]);
        fwrite(&vesicle->blist->bond[i]->vtx2->idx,sizeof(ts_uint),1,fh);
    }
    /*dump triangles*/
    for(i=0;i<vesicle->tlist->n;i++){
        fwrite(vesicle->tlist->tria[i],sizeof(ts_triangle),1,fh);
        /* dump pointer offsets for vertex */
        fwrite(&vesicle->tlist->tria[i]->vertex[0]->idx,sizeof(ts_uint),1,fh);
        fwrite(&vesicle->tlist->tria[i]->vertex[1]->idx,sizeof(ts_uint),1,fh);
        fwrite(&vesicle->tlist->tria[i]->vertex[2]->idx,sizeof(ts_uint),1,fh);
        /* dump pointer offsets for neigh */
        for(j=0;j<vesicle->tlist->tria[i]->neigh_no;j++){
            fwrite(&vesicle->tlist->tria[i]->neigh[j]->idx,sizeof(ts_uint),1,fh);
        }
    }
    /*dump polymeres */
    for(i=0;i<vesicle->poly_list->n;i++){
        fwrite(vesicle->poly_list->poly[i],sizeof(ts_poly),1,fh);
        fwrite(vesicle->poly_list->poly[i]->vlist,sizeof(ts_vertex_list),1,fh);
        fwrite(vesicle->poly_list->poly[i]->blist,sizeof(ts_bond_list),1,fh);
    }
    /* dump poly vertex(monomer) list*/
    for(i=0;i<vesicle->poly_list->n;i++){
        for(j=0;j<vesicle->poly_list->poly[i]->vlist->n;j++){
            fwrite(vesicle->poly_list->poly[i]->vlist->vtx[j],sizeof(ts_vertex),1,fh);
            /* dump offset for neigh and bond */
            for(k=0;k<vesicle->poly_list->poly[i]->vlist->vtx[j]->neigh_no;k++){
               // off=(ts_ulong)(vesicle->poly_list->poly[i]->vlist->vtx[j]->neigh[k]-vesicle->poly_list->poly[i]->vlist->vtx[0]);
                fwrite(&vesicle->poly_list->poly[i]->vlist->vtx[j]->neigh[k]->idx,sizeof(ts_uint),1,fh);
            }
            for(k=0;k<vesicle->poly_list->poly[i]->vlist->vtx[j]->bond_no;k++){
                //off=(ts_ulong)(vesicle->poly_list->poly[i]->vlist->vtx[j]->bond[k]-vesicle->poly_list->poly[i]->blist->bond[0]);
                fwrite(&vesicle->poly_list->poly[i]->vlist->vtx[j]->bond[k]->idx,sizeof(ts_uint),1,fh);
            }
        }
   // grafted vtx on vesicle data dump
      fwrite(&vesicle->poly_list->poly[i]->grafted_vtx->idx, sizeof(ts_uint),1,fh);
    }
    /* dump poly bonds between monomers list*/
    for(i=0;i<vesicle->poly_list->n;i++){
        for(j=0;j<vesicle->poly_list->poly[i]->blist->n;j++){
            fwrite(vesicle->poly_list->poly[i]->blist->bond[j],sizeof(ts_bond),1,fh);
            /* dump vtx1 and vtx2 offsets */
            //off=(ts_ulong)(vesicle->poly_list->poly[i]->blist->bond[j]->vtx1-vesicle->poly_list->poly[i]->vlist->vtx[0]);
            fwrite(&vesicle->poly_list->poly[i]->blist->bond[j]->vtx1->idx,sizeof(ts_uint),1,fh);
//            off=(ts_ulong)(vesicle->poly_list->poly[i]->blist->bond[j]->vtx2-vesicle->poly_list->poly[i]->vlist->vtx[0]);
            fwrite(&vesicle->poly_list->poly[i]->blist->bond[j]->vtx2->idx,sizeof(ts_uint),1,fh);
        }
    }
  /*dump filamentes grandes svinjas */
    for(i=0;i<vesicle->filament_list->n;i++){
        fwrite(vesicle->filament_list->poly[i],sizeof(ts_poly),1,fh);
        fwrite(vesicle->filament_list->poly[i]->vlist,sizeof(ts_vertex_list),1,fh);
        fwrite(vesicle->filament_list->poly[i]->blist,sizeof(ts_bond_list),1,fh);
    }
    /* dump filamentes vertex(monomer) list*/
    for(i=0;i<vesicle->filament_list->n;i++){
        for(j=0;j<vesicle->filament_list->poly[i]->vlist->n;j++){
            fwrite(vesicle->filament_list->poly[i]->vlist->vtx[j],sizeof(ts_vertex),1,fh);
            /* dump offset for neigh and bond */
            for(k=0;k<vesicle->filament_list->poly[i]->vlist->vtx[j]->neigh_no;k++){
               // off=(ts_ulong)(vesicle->poly_list->poly[i]->vlist->vtx[j]->neigh[k]-vesicle->poly_list->poly[i]->vlist->vtx[0]);
                fwrite(&vesicle->filament_list->poly[i]->vlist->vtx[j]->neigh[k]->idx,sizeof(ts_uint),1,fh);
            }
            for(k=0;k<vesicle->filament_list->poly[i]->vlist->vtx[j]->bond_no;k++){
                //off=(ts_ulong)(vesicle->poly_list->poly[i]->vlist->vtx[j]->bond[k]-vesicle->poly_list->poly[i]->blist->bond[0]);
                fwrite(&vesicle->filament_list->poly[i]->vlist->vtx[j]->bond[k]->idx,sizeof(ts_uint),1,fh);
            }
        }
    }
    /* dump poly bonds between monomers list*/
    for(i=0;i<vesicle->filament_list->n;i++){
        for(j=0;j<vesicle->filament_list->poly[i]->blist->n;j++){
            fwrite(vesicle->filament_list->poly[i]->blist->bond[j],sizeof(ts_bond),1,fh);
            /* dump vtx1 and vtx2 offsets */
            //off=(ts_ulong)(vesicle->poly_list->poly[i]->blist->bond[j]->vtx1-vesicle->poly_list->poly[i]->vlist->vtx[0]);
            fwrite(&vesicle->filament_list->poly[i]->blist->bond[j]->vtx1->idx,sizeof(ts_uint),1,fh);
//            off=(ts_ulong)(vesicle->poly_list->poly[i]->blist->bond[j]->vtx2-vesicle->poly_list->poly[i]->vlist->vtx[0]);
            fwrite(&vesicle->filament_list->poly[i]->blist->bond[j]->vtx2->idx,sizeof(ts_uint),1,fh);
        }
    }
/* pointer offsets for fixing the restored pointers */
/* need pointers for
    vlist->vtx
    blist->bond
    tlist->tria
    clist->cell
    poly_list->poly
    and for each poly:
        poly_list->poly->vtx
        poly_list->poly->bond
*/
//   fwrite(vesicle->clist, sizeof(ts_cell_list),1,  fh);
/* write tape information on vesicle */
//    fwrite(vesicle->tape,sizeof(ts_tape),1,fh);
   fwrite(&iteration, sizeof(ts_uint),1,fh);
    fclose(fh);
    return TS_SUCCESS;
}
/** RESTORE DUMP FROM DISK **/
ts_vesicle *restore_state(ts_uint *iteration){
    ts_uint i,j,k;
    FILE *fh=fopen(command_line_args.dump_fullfilename,"rb");
    struct stat sb;
    if (stat(command_line_args.dump_fullfilename, &sb) == -1) {
        //dump file does not exist.
        return NULL;
    }
    //check if it is regular file
    if((sb.st_mode & S_IFMT) != S_IFREG) {
        //dump file is not a regular file.
        ts_fprintf(stderr,"Dump file is not a regular file!\n");
        return NULL;
    }
    ts_uint retval;
   ts_uint idx;
/* we restore all the data from the dump */
    /* restore vesicle */
    ts_vesicle *vesicle=(ts_vesicle *)calloc(1,sizeof(ts_vesicle));
    retval=fread(vesicle, sizeof(ts_vesicle)-sizeof(ts_double),1,fh);
//   fprintf(stderr,"was here! %e\n",vesicle->dmax);
    /* restore vertex list */
    vesicle->vlist=(ts_vertex_list *)malloc(sizeof(ts_vertex_list));
    retval=fread(vesicle->vlist, sizeof(ts_vertex_list),1,fh);
    /* restore bond list */
    vesicle->blist=(ts_bond_list *)malloc(sizeof(ts_bond_list));
    retval=fread(vesicle->blist, sizeof(ts_bond_list),1,fh);
    /* restore triangle list */
    vesicle->tlist=(ts_triangle_list *)malloc(sizeof(ts_triangle_list));
    retval=fread(vesicle->tlist, sizeof(ts_triangle_list),1,fh);
    /* restore cell list */
    vesicle->clist=(ts_cell_list *)malloc(sizeof(ts_cell_list));
    retval=fread(vesicle->clist, sizeof(ts_cell_list),1,fh);
    /* restore poly list */
    vesicle->poly_list=(ts_poly_list *)calloc(1,sizeof(ts_poly_list));
    retval=fread(vesicle->poly_list, sizeof(ts_poly_list),1,fh);
    /* restore filament list */
    vesicle->filament_list=(ts_poly_list *)calloc(1,sizeof(ts_poly_list));
    retval=fread(vesicle->filament_list, sizeof(ts_poly_list),1,fh);
    /* level 1 complete */
/* prerequisity. Bonds must be malloced before vertexes are recreated */
  vesicle->blist->bond=(ts_bond **)calloc(vesicle->blist->n,sizeof(ts_bond *));
    for(i=0;i<vesicle->blist->n;i++){
        vesicle->blist->bond[i]=(ts_bond *)malloc(sizeof(ts_bond));
   }
/* prerequisity. Triangles must be malloced before vertexes are recreated */
  vesicle->tlist->tria=(ts_triangle **)calloc(vesicle->tlist->n,sizeof(ts_triangle *));
    for(i=0;i<vesicle->tlist->n;i++){
        vesicle->tlist->tria[i]=(ts_triangle *)malloc(sizeof(ts_triangle));
}
/* prerequisity. Vertices must be malloced before vertexes are recreated */
    vesicle->vlist->vtx=(ts_vertex **)calloc(vesicle->vlist->n,sizeof(ts_vertex *));
 for(i=0;i<vesicle->vlist->n;i++){
        vesicle->vlist->vtx[i]=(ts_vertex *)malloc(sizeof(ts_vertex));
 }
  /*restore vertices*/
    for(i=0;i<vesicle->vlist->n;i++){
        retval=fread(vesicle->vlist->vtx[i],sizeof(ts_vertex),1,fh);
        /*restore neigh, bond, tristar. Ignoring cell */
        vesicle->vlist->vtx[i]->neigh=(ts_vertex **)calloc(vesicle->vlist->vtx[i]->neigh_no, sizeof(ts_vertex *));
        for(j=0;j<vesicle->vlist->vtx[i]->neigh_no;j++){
            retval=fread(&idx,sizeof(ts_uint),1,fh);
            vesicle->vlist->vtx[i]->neigh[j]=vesicle->vlist->vtx[idx];
        }
        vesicle->vlist->vtx[i]->bond=(ts_bond **)calloc(vesicle->vlist->vtx[i]->bond_no, sizeof(ts_bond *));
        for(j=0;j<vesicle->vlist->vtx[i]->bond_no;j++){
            retval=fread(&idx,sizeof(ts_uint),1,fh);
/* pointer can be assigned only when list of bonds is fully initialized in memory. Thus bondlist popularization must be done before vertex can reference to it */
            vesicle->vlist->vtx[i]->bond[j]=vesicle->blist->bond[idx];
        }
        vesicle->vlist->vtx[i]->tristar=(ts_triangle **)calloc(vesicle->vlist->vtx[i]->tristar_no, sizeof(ts_triangle *));
        for(j=0;j<vesicle->vlist->vtx[i]->tristar_no;j++){
            retval=fread(&idx,sizeof(ts_uint),1,fh);
/* same comment as above */
            vesicle->vlist->vtx[i]->tristar[j]=vesicle->tlist->tria[idx];
        }
    }
    /*restore bonds*/
   // vesicle->blist->bond=(ts_bond **)calloc(vesicle->blist->n,sizeof(ts_bond *)); // done before.
    for(i=0;i<vesicle->blist->n;i++){
     //   vesicle->blist->bond[i]=(ts_bond *)malloc(sizeof(ts_bond)); //done before.
        retval=fread(vesicle->blist->bond[i],sizeof(ts_bond),1,fh);
        /* restore vtx1 and vtx2 */
        retval=fread(&idx,sizeof(ts_uint),1,fh);
        vesicle->blist->bond[i]->vtx1=vesicle->vlist->vtx[idx];
        retval=fread(&idx,sizeof(ts_uint),1,fh);
        vesicle->blist->bond[i]->vtx2=vesicle->vlist->vtx[idx];
    }
    /*restore triangles*/
//    vesicle->tlist->tria=(ts_triangle **)calloc(vesicle->tlist->n,sizeof(ts_triangle *)); // done before
    for(i=0;i<vesicle->tlist->n;i++){
 //       vesicle->tlist->tria[i]=(ts_triangle *)malloc(sizeof(ts_triangle)); // done before
        retval=fread(vesicle->tlist->tria[i],sizeof(ts_triangle),1,fh);
        /* restore pointers for vertices */
        retval=fread(&idx,sizeof(ts_uint),1,fh);
        vesicle->tlist->tria[i]->vertex[0]=vesicle->vlist->vtx[idx];
        retval=fread(&idx,sizeof(ts_uint),1,fh);
        vesicle->tlist->tria[i]->vertex[1]=vesicle->vlist->vtx[idx];
        retval=fread(&idx,sizeof(ts_uint),1,fh);
        vesicle->tlist->tria[i]->vertex[2]=vesicle->vlist->vtx[idx];
        /* restore pointers for neigh */
    vesicle->tlist->tria[i]->neigh=(ts_triangle **)malloc(vesicle->tlist->tria[i]->neigh_no*sizeof(ts_triangle *));
        for(j=0;j<vesicle->tlist->tria[i]->neigh_no;j++){
            retval=fread(&idx,sizeof(ts_uint),1,fh);
            vesicle->tlist->tria[i]->neigh[j]=vesicle->tlist->tria[idx];
        }
    }
    /*restore cells */
/*TODO: do we need to recalculate cells here? */
/*    vesicle->clist->cell=(ts_cell **)malloc(vesicle->clist->cellno*sizeof(ts_cell *));
    for(i=0;i<vesicle->clist->cellno;i++){
        vesicle->clist->cell[i]=(ts_cell *)malloc(sizeof(ts_cell));
        retval=fread(vesicle->clist->cell[i],sizeof(ts_cell),1,fh);
    }
*/
    /*restore polymeres */
    vesicle->poly_list->poly = (ts_poly **)calloc(vesicle->poly_list->n,sizeof(ts_poly *));
    for(i=0;i<vesicle->poly_list->n;i++){
        vesicle->poly_list->poly[i]=(ts_poly *)calloc(1,sizeof(ts_poly));
        retval=fread(vesicle->poly_list->poly[i],sizeof(ts_poly),1,fh);
        vesicle->poly_list->poly[i]->vlist=(ts_vertex_list *)calloc(1,sizeof(ts_vertex_list));
        retval=fread(vesicle->poly_list->poly[i]->vlist,sizeof(ts_vertex_list),1,fh);
        vesicle->poly_list->poly[i]->blist=(ts_bond_list *)calloc(1,sizeof(ts_bond_list));
        retval=fread(vesicle->poly_list->poly[i]->blist,sizeof(ts_bond_list),1,fh);
   /* initialize adress space for pointers that will hold specific vertices (monomers) and bonds */
        vesicle->poly_list->poly[i]->vlist->vtx=(ts_vertex **)calloc(vesicle->poly_list->poly[i]->vlist->n,sizeof(ts_vertex *));
        vesicle->poly_list->poly[i]->blist->bond=(ts_bond **)calloc(vesicle->poly_list->poly[i]->blist->n,sizeof(ts_bond *));
    for(j=0;j<vesicle->poly_list->poly[i]->vlist->n;j++){
            vesicle->poly_list->poly[i]->vlist->vtx[j]=(ts_vertex *)malloc(sizeof(ts_vertex));
   }
   for(j=0;j<vesicle->poly_list->poly[i]->blist->n;j++){
            vesicle->poly_list->poly[i]->blist->bond[j]=(ts_bond *)malloc(sizeof(ts_bond));
   }
    }
    /* restore poly vertex(monomer) list*/
    for(i=0;i<vesicle->poly_list->n;i++){
        for(j=0;j<vesicle->poly_list->poly[i]->vlist->n;j++){
            retval=fread(vesicle->poly_list->poly[i]->vlist->vtx[j],sizeof(ts_vertex),1,fh);
            /* restore neigh and bonds */
            vesicle->poly_list->poly[i]->vlist->vtx[j]->neigh=(ts_vertex **)calloc(vesicle->poly_list->poly[i]->vlist->vtx[j]->neigh_no, sizeof(ts_vertex *));
            for(k=0;k<vesicle->poly_list->poly[i]->vlist->vtx[j]->neigh_no;k++){
                retval=fread(&idx,sizeof(ts_uint),1,fh);
                vesicle->poly_list->poly[i]->vlist->vtx[j]->neigh[k]=vesicle->poly_list->poly[i]->vlist->vtx[idx];
            }
            vesicle->poly_list->poly[i]->vlist->vtx[j]->bond=(ts_bond **)calloc(vesicle->poly_list->poly[i]->vlist->vtx[j]->bond_no, sizeof(ts_bond *));
            for(k=0;k<vesicle->poly_list->poly[i]->vlist->vtx[j]->bond_no;k++){
                retval=fread(&idx,sizeof(ts_uint),1,fh);
                vesicle->poly_list->poly[i]->vlist->vtx[j]->bond[k]=vesicle->poly_list->poly[i]->blist->bond[idx];
            }
        }
   /* restore grafted vtx on vesicle and grafted_poly */
                retval=fread(&idx,sizeof(ts_uint),1,fh);
      vesicle->vlist->vtx[idx]->grafted_poly=vesicle->poly_list->poly[i];
      vesicle->poly_list->poly[i]->grafted_vtx=vesicle->vlist->vtx[idx];
    }
    /* restore poly bonds between monomers list*/
    for(i=0;i<vesicle->poly_list->n;i++){
        for(j=0;j<vesicle->poly_list->poly[i]->blist->n;j++){
       //     vesicle->poly_list->poly[i]->blist->bond[j]=(ts_bond *)malloc(sizeof(ts_bond));
            retval=fread(vesicle->poly_list->poly[i]->blist->bond[j],sizeof(ts_bond),1,fh);
            /* restore vtx1 and vtx2 */
                retval=fread(&idx,sizeof(ts_uint),1,fh);
                vesicle->poly_list->poly[i]->blist->bond[j]->vtx1=vesicle->poly_list->poly[i]->vlist->vtx[idx];
                retval=fread(&idx,sizeof(ts_uint),1,fh);
                vesicle->poly_list->poly[i]->blist->bond[j]->vtx2=vesicle->poly_list->poly[i]->vlist->vtx[idx];
        }
    }
    /*restore filaments */
    vesicle->filament_list->poly = (ts_poly **)calloc(vesicle->filament_list->n,sizeof(ts_poly *));
    for(i=0;i<vesicle->filament_list->n;i++){
        vesicle->filament_list->poly[i]=(ts_poly *)calloc(1,sizeof(ts_poly));
        retval=fread(vesicle->filament_list->poly[i],sizeof(ts_poly),1,fh);
        vesicle->filament_list->poly[i]->vlist=(ts_vertex_list *)calloc(1,sizeof(ts_vertex_list));
        retval=fread(vesicle->filament_list->poly[i]->vlist,sizeof(ts_vertex_list),1,fh);
        vesicle->filament_list->poly[i]->blist=(ts_bond_list *)calloc(1,sizeof(ts_bond_list));
        retval=fread(vesicle->filament_list->poly[i]->blist,sizeof(ts_bond_list),1,fh);
   /* initialize adress space for pointers that will hold specific vertices (monomers) and bonds */
        vesicle->filament_list->poly[i]->vlist->vtx=(ts_vertex **)calloc(vesicle->filament_list->poly[i]->vlist->n,sizeof(ts_vertex *));
        vesicle->filament_list->poly[i]->blist->bond=(ts_bond **)calloc(vesicle->filament_list->poly[i]->blist->n,sizeof(ts_bond *));
    for(j=0;j<vesicle->filament_list->poly[i]->vlist->n;j++){
            vesicle->filament_list->poly[i]->vlist->vtx[j]=(ts_vertex *)malloc(sizeof(ts_vertex));
   }
   for(j=0;j<vesicle->filament_list->poly[i]->blist->n;j++){
            vesicle->filament_list->poly[i]->blist->bond[j]=(ts_bond *)malloc(sizeof(ts_bond));
   }
    }
    /* restore poly vertex(monomer) list*/
    for(i=0;i<vesicle->filament_list->n;i++){
        for(j=0;j<vesicle->filament_list->poly[i]->vlist->n;j++){
            retval=fread(vesicle->filament_list->poly[i]->vlist->vtx[j],sizeof(ts_vertex),1,fh);
            /* restore neigh and bonds */
            vesicle->filament_list->poly[i]->vlist->vtx[j]->neigh=(ts_vertex **)calloc(vesicle->filament_list->poly[i]->vlist->vtx[j]->neigh_no, sizeof(ts_vertex *));
            for(k=0;k<vesicle->filament_list->poly[i]->vlist->vtx[j]->neigh_no;k++){
                retval=fread(&idx,sizeof(ts_uint),1,fh);
                vesicle->filament_list->poly[i]->vlist->vtx[j]->neigh[k]=vesicle->filament_list->poly[i]->vlist->vtx[idx];
            }
            vesicle->filament_list->poly[i]->vlist->vtx[j]->bond=(ts_bond **)calloc(vesicle->filament_list->poly[i]->vlist->vtx[j]->bond_no, sizeof(ts_bond *));
            for(k=0;k<vesicle->filament_list->poly[i]->vlist->vtx[j]->bond_no;k++){
                retval=fread(&idx,sizeof(ts_uint),1,fh);
                vesicle->filament_list->poly[i]->vlist->vtx[j]->bond[k]=vesicle->filament_list->poly[i]->blist->bond[idx];
            }
        }
    }
    /* restore poly bonds between monomers list*/
    for(i=0;i<vesicle->filament_list->n;i++){
        for(j=0;j<vesicle->filament_list->poly[i]->blist->n;j++){
       //     vesicle->poly_list->poly[i]->blist->bond[j]=(ts_bond *)malloc(sizeof(ts_bond));
            retval=fread(vesicle->filament_list->poly[i]->blist->bond[j],sizeof(ts_bond),1,fh);
            /* restore vtx1 and vtx2 */
                retval=fread(&idx,sizeof(ts_uint),1,fh);
                vesicle->filament_list->poly[i]->blist->bond[j]->vtx1=vesicle->filament_list->poly[i]->vlist->vtx[idx];
                retval=fread(&idx,sizeof(ts_uint),1,fh);
                vesicle->filament_list->poly[i]->blist->bond[j]->vtx2=vesicle->filament_list->poly[i]->vlist->vtx[idx];
        }
    }
    vesicle->tape=parsetape(command_line_args.tape_fullfilename);
// recreating space for cells //
    vesicle->clist=init_cell_list(vesicle->tape->ncxmax, vesicle->tape->ncymax, vesicle->tape->nczmax, vesicle->tape->stepsize);
   vesicle->clist->max_occupancy=16;
//    vesicle->tape=(ts_tape *)malloc(sizeof(ts_tape));
//    retval=fread(vesicle->tape, sizeof(ts_tape),1,fh);
   retval=fread(iteration,sizeof(ts_uint),1,fh);
    if(retval);
    fclose(fh);
    return vesicle;
}
ts_bool parse_args(int argc, char **argv){
@@ -627,205 +211,12 @@
   return TS_SUCCESS;
}
ts_bool print_vertex_list(ts_vertex_list *vlist){
   ts_uint i;
   printf("Number of vertices: %u\n",vlist->n);
   for(i=0;i<vlist->n;i++){
      printf("%u: %f %f %f\n",
vlist->vtx[i]->idx,vlist->vtx[i]->x, vlist->vtx[i]->y, vlist->vtx[i]->z);
   }
   return TS_SUCCESS;
}
ts_bool print_vertex_neighbours(ts_vertex_list *vlist){
   ts_uint i,j;
   ts_vertex **vtx=vlist->vtx;
   printf("Vertex id(neigh no): (neighvertex coord) (neighvertex coord) ...\n");
   for(i=0;i<vlist->n;i++){
      printf("%u(%u): ",vtx[i]->idx,vtx[i]->neigh_no);
      for(j=0;j<vtx[i]->neigh_no;j++){
         printf("(%f,%f,%f)",vtx[i]->neigh[j]->x,
vtx[i]->neigh[j]->y,vtx[i]->neigh[j]->z);
      }
      printf("\n");
   }
return TS_SUCCESS;
}
ts_bool write_vertex_fcompat_file(ts_vertex_list *vlist,ts_char *filename){
   ts_vertex **vtx=vlist->vtx;
   ts_uint i;
   FILE *fh;
   fh=fopen(filename, "w");
   if(fh==NULL){
      err("Cannot open file %s for writing");
      return TS_FAIL;
   }
   for(i=0;i<vlist->n;i++)
      fprintf(fh," %E\t%E\t%E\n",vtx[i]->x,vtx[i]->y, vtx[i]->z);
   fclose(fh);
return TS_SUCCESS;
}
ts_bool fprint_vertex_list(FILE *fh,ts_vertex_list *vlist){
    ts_uint i,j;
   for(i=0;i<vlist->n;i++){
      fprintf(fh," %.17E\t%.17E\t%.17E\t%u\n",vlist->vtx[i]->x,
         vlist->vtx[i]->y, vlist->vtx[i]->z,
            vlist->vtx[i]->neigh_no);
      for(j=0;j<vlist->vtx[i]->neigh_no;j++){
         fprintf(fh,"\t%u",(ts_uint)(vlist->vtx[i]->neigh[j]->idx));
        //-vlist->vtx+1));
      }
      fprintf(fh,"\n");
   }
    return TS_SUCCESS;
}
ts_bool fprint_tristar(FILE *fh, ts_vesicle *vesicle){
    ts_uint i,j;
   for(i=0;i<vesicle->vlist->n;i++){
      fprintf(fh,"\t%u",vesicle->vlist->vtx[i]->tristar_no);
      for(j=0;j<vesicle->vlist->vtx[i]->tristar_no;j++){
         fprintf(fh,"\t%u",(ts_uint)(vesicle->vlist->vtx[i]->tristar[j]->idx));//-vesicle->tlist->tria+1));
      }
      fprintf(fh,"\n");
   }
    return TS_SUCCESS;
}
ts_bool fprint_triangle_list(FILE *fh, ts_vesicle *vesicle){
        ts_triangle_list *tlist=vesicle->tlist;
      ts_uint i,j;
   for(i=0;i<tlist->n;i++){
        fprintf(fh,"\t%u",tlist->tria[i]->neigh_no);
       for(j=0;j<tlist->tria[i]->neigh_no;j++){
          fprintf(fh,"\t%u",(ts_uint)(tlist->tria[i]->neigh[j]->idx));//-tlist->tria+1));
        }
        fprintf(fh,"\n");
            for(j=0;j<3;j++){
          fprintf(fh,"\t%u",(ts_uint)(tlist->tria[i]->vertex[j]->idx));//-vesicle->vlist->vtx+1));
            }
        fprintf(fh,"\n");
      fprintf(fh,"%.17E\t%.17E\t%.17E\n",tlist->tria[i]->xnorm,
tlist->tria[i]->ynorm,tlist->tria[i]->znorm);
        fprintf(fh,"0.00000000000000000\n0.00000000000000000\n");
    }
    return TS_SUCCESS;
}
ts_bool fprint_vertex_data(FILE *fh,ts_vertex_list *vlist){
    ts_uint i,j;
    for(i=0;i<vlist->n;i++){
        fprintf(fh," %.17E\t%.17E\t%.17E\t%.17E\t%.17E\t%u\n",
        vlist->vtx[i]->xk,vlist->vtx[i]->c,vlist->vtx[i]->energy,
        vlist->vtx[i]->energy_h, vlist->vtx[i]->curvature, 0);
        for(j=0;j<vlist->vtx[i]->bond_no;j++){
            fprintf(fh," %.17E", vlist->vtx[i]->bond[j]->bond_length_dual);
        }
            fprintf(fh,"\n");
        for(j=0;j<vlist->vtx[i]->bond_no;j++){
            fprintf(fh," %.17E", vlist->vtx[i]->bond[j]->bond_length);
        }
            fprintf(fh,"\n");
    }
    return TS_SUCCESS;
}
ts_bool fprint_bonds(FILE *fh,ts_vesicle *vesicle){
    ts_uint i;
    for(i=0;i<vesicle->blist->n;i++){
        fprintf(fh,"\t%u\t%u\n",(ts_uint)(vesicle->blist->bond[i]->vtx1->idx),
//-vesicle->vlist->vtx+1),
        (ts_uint)(vesicle->blist->bond[i]->vtx2->idx));
    //-vesicle->vlist.vtx+1));
    }
    return TS_SUCCESS;
}
ts_bool write_dout_fcompat_file(ts_vesicle *vesicle, ts_char *filename){
   FILE *fh;
   fh=fopen(filename, "w");
    if(fh==NULL){
        err("Cannot open file %s for writing");
        return TS_FAIL;
    }
    fprintf(fh,"%.17E\n%.17E\n",vesicle->stepsize,vesicle->dmax);
    fprint_vertex_list(fh,vesicle->vlist);
    fprint_tristar(fh,vesicle);
    fprint_triangle_list(fh,vesicle);
    fprint_vertex_data(fh,vesicle->vlist);
    fprint_bonds(fh,vesicle);
   fclose(fh);
   return TS_SUCCESS;
}
ts_bool read_tape_fcompat_file(ts_vesicle *vesicle, ts_char *filename){
   FILE *fh;
   char line[255];
   fh=fopen(filename, "r");
        if(fh==NULL){
                err("Cannot open file for reading... Nonexistant file?");
                return TS_FAIL;
        }
   ts_uint retval=1;
   while(retval!=EOF){
      retval=fscanf(fh,"%s",line);
      fprintf(stderr,"%s",line);
   }
   fclose(fh);
   return TS_SUCCESS;
}
ts_bool write_master_xml_file(ts_char *filename){
    FILE *fh;
   ts_char *i,*j;
    ts_uint tstep;
    ts_char *number;
        fh=fopen(filename, "w");
        if(fh==NULL){
                err("Cannot open file %s for writing");
                return TS_FAIL;
        }
   fprintf(fh,"<?xml version=\"1.0\"?>\n<VTKFile type=\"Collection\" version=\"0.1\" byte_order=\"LittleEndian\" compressor=\"vtkZLibDataCompressor\">\n<Collection>");
   DIR *dir = opendir(command_line_args.path);
   if(dir){
      struct dirent *ent;
        tstep=0;
      while((ent = readdir(dir)) != NULL)
      {
            i=rindex(ent->d_name,'.');
            if(i==NULL) continue;
            if(strcmp(i+1,"vtu")==0){
                    j=rindex(ent->d_name,'_');
                    if(j==NULL) continue;
                    number=strndup(j+1,j-i);
                fprintf(fh,"<DataSet timestep=\"%u\" group=\"\" part=\"0\" file=\"%s\"/>\n",atoi(number),ent->d_name);
                tstep++;
                    free(number);
            }
      }
   }
    free(dir);
   fprintf(fh,"</Collection>\n</VTKFile>\n");
   fclose(fh);
   return TS_SUCCESS;
}
ts_bool write_vertex_xml_file(ts_vesicle *vesicle, ts_uint timestepno, ts_cluster_list *cstlist){
   ts_vertex_list *vlist=vesicle->vlist;
   ts_bond_list *blist=vesicle->blist;
   ts_vertex **vtx=vlist->vtx;
    ts_uint i,j;
   //ts_double senergy=0.0;
       char filename[10000];
        char just_name[255];
   FILE *fh;
@@ -974,9 +365,26 @@
      }
    fprintf(fh,"</DataArray>\n");
   
   fprintf(fh,"</PointData>\n<CellData>\n</CellData>\n<Points>\n<DataArray type=\"Float64\" Name=\"Koordinate tock\" NumberOfComponents=\"3\" format=\"ascii\">\n");
   fprintf(fh,"</PointData>\n<CellData>\n");
   if(vesicle->tape->stretchswitch==1){
      fprintf(fh,"<DataArray type=\"Float64\" Name=\"stretching_energy\" format=\"ascii\">");
      for(i=0;i<blist->n;i++){
         fprintf(fh, "0.0 ");
      }
      for(i=0;i<monono*polyno+filno*(fonono-1);i++){
         fprintf(fh,"0.0 ");
      }
      for(i=0;i<vesicle->tlist->n;i++){
         fprintf(fh,"%.17e ",vesicle->tlist->tria[i]->energy);
      }
       fprintf(fh,"</DataArray>\n");
   }
   fprintf(fh,"</CellData>\n<Points>\n<DataArray type=\"Float64\" Name=\"Koordinate tock\" NumberOfComponents=\"3\" format=\"ascii\">\n");
   for(i=0;i<vlist->n;i++){
      fprintf(fh,"%.17e %.17e %.17e\n",vtx[i]->x,vtx[i]->y, vtx[i]->z);
   }
@@ -1050,51 +458,6 @@
    return TS_SUCCESS;
}
ts_bool write_vertex_vtk_file(ts_vesicle *vesicle,ts_char *filename, ts_char *text){
   ts_vertex_list *vlist=vesicle->vlist;
   ts_bond_list *blist=vesicle->blist;
   ts_vertex **vtx=vlist->vtx;
   ts_uint i;
   FILE *fh;
   fh=fopen(filename, "w");
   if(fh==NULL){
      err("Cannot open file %s for writing");
      return TS_FAIL;
   }
   /* Here comes header of the file */
//    fprintf(stderr,"NSHELL=%u\n",nshell);
   fprintf(fh, "# vtk DataFile Version 2.0\n");
   /* TODO: Do a sanity check on text. Max 255 char, must not me \n terminated */
   fprintf(fh, "%s\n", text);
   fprintf(fh,"ASCII\n");
   fprintf(fh,"DATASET UNSTRUCTURED_GRID\n");
   fprintf(fh,"POINTS %u double\n", vlist->n);
   for(i=0;i<vlist->n;i++){
      fprintf(fh,"%e %e %e\n",vtx[i]->x,vtx[i]->y, vtx[i]->z);
   }
   fprintf(fh,"CELLS %u %u\n",blist->n,3*blist->n);
   for(i=0;i<blist->n;i++){
         fprintf(fh,"2 %u %u\n",blist->bond[i]->vtx1->idx,blist->bond[i]->vtx2->idx);
   }
   fprintf(fh,"CELL_TYPES %u\n",blist->n);
   for(i=0;i<blist->n;i++)
      fprintf(fh,"3\n");
   fprintf(fh,"POINT_DATA %u\n", vlist->n);
   fprintf(fh,"SCALARS scalars long 1\n");
   fprintf(fh,"LOOKUP_TABLE default\n");
   for(i=0;i<vlist->n;i++)
      fprintf(fh,"%u\n",vtx[i]->idx);
   fclose(fh);
   return TS_SUCCESS;
}
ts_bool write_pov_file(ts_vesicle *vesicle, char *filename){
   FILE *fh;
@@ -1187,12 +550,23 @@
   CFG_SIMPLE_FLOAT("c0",&tape->c0),
   CFG_SIMPLE_FLOAT("w",&tape->w),
   CFG_SIMPLE_FLOAT("F",&tape->F),
/* Variables related to plane confinement */
   CFG_INT("plane_confinement_switch", 0, CFGF_NONE),
   CFG_FLOAT("plane_d", 15, CFGF_NONE),
   CFG_FLOAT("plane_F", 1000, CFGF_NONE),
/* Variables related to stretching */
//   CFG_FLOAT("stretchswitch", 0, CFGF_NONE),
//   CFG_FLOAT("xkA0",0,CFGF_NONE),
        CFG_END()
    };
    cfg_t *cfg;    
    ts_uint retval;
    cfg = cfg_init(opts, 0);
    retval=cfg_parse_buf(cfg, buffer);
   tape->plane_confinement_switch=cfg_getint(cfg,"plane_confinement_switch");
   tape->plane_d=cfg_getfloat(cfg,"plane_d");
   tape->plane_F=cfg_getfloat(cfg,"plane_F");
    if(retval==CFG_FILE_ERROR){
   fatal("No tape file.",100);
   }
@@ -1273,53 +647,5 @@
            break;
    }
    return TS_SUCCESS;
}
ts_bool read_geometry_file(char *fname, ts_vesicle *vesicle){
   FILE *fh;
    ts_uint i, nvtx,nedges,ntria;
    ts_uint vtxi1,vtxi2;
    float x,y,z;
    ts_vertex_list *vlist;
   fh=fopen(fname, "r");
        if(fh==NULL){
                err("Cannot open file for reading... Nonexistant file?");
                return TS_FAIL;
        }
   ts_uint retval;
   retval=fscanf(fh,"%u %u %u",&nvtx, &nedges, &ntria);
    vesicle->vlist=init_vertex_list(nvtx);
    vlist=vesicle->vlist;
    for(i=0;i<nvtx;i++){
   //     fscanf(fh,"%F %F %F",&vlist->vtx[i]->x,&vlist->vtx[i]->y,&vlist->vtx[i]->z);
       retval=fscanf(fh,"%F %F %F",&x,&y,&z);
        vlist->vtx[i]->x=x;
        vlist->vtx[i]->y=y;
        vlist->vtx[i]->z=z;
    }
    for(i=0;i<nedges;i++){
        retval=fscanf(fh,"%u %u",&vtxi1,&vtxi2);
        bond_add(vesicle->blist,vesicle->vlist->vtx[vtxi1-1],vesicle->vlist->vtx[vtxi2-1]);
    }
    //TODO: neighbours from bonds,
    //TODO: triangles from neigbours
//    Don't need to read triangles. Already have enough data
    /*
    for(i=0;i<ntria;i++){
        retval=fscanf(fh,"%u %u %u", &bi1, &bi2, &bi3);
        vtxi1=vesicle->blist->vertex1->idx;
        vtxi2=vesicle->blist->vertex1->idx;
    }
    */
   if(retval);
   fclose(fh);
    return TS_SUCCESS;
}