| | |
| | | #include "initial_distribution.h" |
| | | #include "poly.h" |
| | | |
| | | |
| | | |
| | | /** DUMP STATE TO DISK DRIVE **/ |
| | | |
| | | ts_bool dump_state(ts_vesicle *vesicle){ |
| | | |
| | | /* save current state with wrong pointers. Will fix that later */ |
| | | ts_uint i,j,k; |
| | | ts_ulong off; |
| | | FILE *fh=fopen("dump.bin","wb"); |
| | | |
| | | /* dump vesicle */ |
| | | fwrite(vesicle, sizeof(vesicle),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); |
| | | /* 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++){ |
| | | off=(ts_ulong)(vesicle->vlist->vtx[i]->neigh[j]-vesicle->vlist->vtx[0]); |
| | | fwrite(&off,sizeof(ts_ulong),1,fh); |
| | | } |
| | | for(j=0;j<vesicle->vlist->vtx[i]->bond_no;j++){ |
| | | off=(ts_ulong)(vesicle->vlist->vtx[i]->bond[j]-vesicle->blist->bond[0]); |
| | | fwrite(&off,sizeof(ts_ulong),1,fh); |
| | | } |
| | | for(j=0;j<vesicle->vlist->vtx[i]->tristar_no;j++){ |
| | | off=(ts_ulong)(vesicle->vlist->vtx[i]->tristar[j]-vesicle->tlist->tria[0]); |
| | | fwrite(&off,sizeof(ts_ulong),1,fh); |
| | | } |
| | | // off=(ts_ulong)(vesicle->vlist->vtx[i]->cell-vesicle->clist->cell[0]); |
| | | // fwrite(&off,sizeof(ts_ulong),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(&off,sizeof(ts_ulong),1,fh); |
| | | off=(ts_ulong)(vesicle->blist->bond[i]->vtx2-vesicle->vlist->vtx[0]); |
| | | fwrite(&off,sizeof(ts_ulong),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 */ |
| | | off=(ts_ulong)(vesicle->tlist->tria[i]->vertex[0]-vesicle->vlist->vtx[0]); |
| | | fwrite(&off,sizeof(ts_ulong),1,fh); |
| | | off=(ts_ulong)(vesicle->tlist->tria[i]->vertex[1]-vesicle->vlist->vtx[0]); |
| | | fwrite(&off,sizeof(ts_ulong),1,fh); |
| | | off=(ts_ulong)(vesicle->tlist->tria[i]->vertex[2]-vesicle->vlist->vtx[0]); |
| | | fwrite(&off,sizeof(ts_ulong),1,fh); |
| | | /* dump pointer offsets for neigh */ |
| | | for(j=0;j<vesicle->tlist->tria[i]->neigh_no;j++){ |
| | | off=(ts_ulong)(vesicle->tlist->tria[i]->neigh[j]-vesicle->tlist->tria[0]); |
| | | fwrite(&off,sizeof(ts_ulong),1,fh); |
| | | } |
| | | } |
| | | |
| | | /*dump cells and its contents is not dumped but recalculated on restore*/ |
| | | |
| | | /* for(i=0;i<vesicle->clist->cellno;i++){ |
| | | fwrite(vesicle->clist->cell[i],sizeof(ts_cell),1,fh); |
| | | for(j=0;j<vesicle->clist->cell[i]->nvertex;j++){ |
| | | off=(ts_ulong)(vesicle->clist->cell[i]->vertex[j]-vesicle->vlist->vtx[0]); |
| | | fwrite(&off,sizeof(ts_ulong),1,fh); |
| | | } |
| | | } |
| | | */ |
| | | |
| | | |
| | | /*dump polymeres */ |
| | | for(i=0;i<vesicle->poly_list->n;i++){ |
| | | fwrite(vesicle->poly_list->poly[i],sizeof(ts_poly),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(&off,sizeof(ts_ulong),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(&off,sizeof(ts_ulong),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(&off,sizeof(ts_ulong),1,fh); |
| | | off=(ts_ulong)(vesicle->poly_list->poly[i]->blist->bond[j]->vtx2-vesicle->poly_list->poly[i]->vlist->vtx[0]); |
| | | fwrite(&off,sizeof(ts_ulong),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->vlist->vtx, sizeof(ts_vertex *),1,fh); |
| | | fwrite(vesicle->blist->bond, sizeof(ts_bond *),1,fh); |
| | | fwrite(vesicle->tlist->tria, sizeof(ts_triangle *),1,fh); |
| | | fwrite(vesicle->clist->cell, sizeof(ts_cell *),1,fh); |
| | | fwrite(vesicle->poly_list->poly, sizeof(ts_poly *),1,fh); |
| | | for(i=0;i<vesicle->poly_list->n;i++){ |
| | | fwrite(vesicle->poly_list->poly[i]->vlist->vtx, sizeof(ts_vertex *),1,fh); |
| | | fwrite(vesicle->poly_list->poly[i]->blist->bond, sizeof(ts_bond *),1,fh); |
| | | } |
| | | fclose(fh); |
| | | return TS_SUCCESS; |
| | | } |
| | | |
| | | |
| | | /** RESTORE DUMP FROM DISK **/ |
| | | ts_vesicle *restore_state(){ |
| | | ts_uint i,j,k; |
| | | FILE *fh=fopen("dump.bin","rb"); |
| | | ts_uint retval; |
| | | ts_ulong off; |
| | | |
| | | /* we restore all the data from the dump */ |
| | | /* restore vesicle */ |
| | | ts_vesicle *vesicle=(ts_vesicle *)calloc(1,sizeof(ts_vesicle)); |
| | | retval=fread(vesicle, sizeof(vesicle),1,fh); |
| | | /* 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); |
| | | /* level 1 complete */ |
| | | |
| | | /*restore vertices*/ |
| | | 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)); |
| | | 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(&off,sizeof(ts_ulong),1,fh); |
| | | vesicle->vlist->vtx[i]->neigh[j]=vesicle->vlist->vtx[0]+off; |
| | | } |
| | | 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(&off,sizeof(ts_ulong),1,fh); |
| | | vesicle->vlist->vtx[i]->bond[j]=vesicle->blist->bond[0]+off; |
| | | } |
| | | |
| | | 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(&off,sizeof(ts_ulong),1,fh); |
| | | vesicle->vlist->vtx[i]->tristar[j]=vesicle->tlist->tria[0]+off; |
| | | } |
| | | |
| | | } |
| | | |
| | | /*restore bonds*/ |
| | | 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)); |
| | | retval=fread(vesicle->blist->bond[i],sizeof(ts_bond),1,fh); |
| | | /* restore vtx1 and vtx2 */ |
| | | retval=fread(&off,sizeof(ts_ulong),1,fh); |
| | | vesicle->blist->bond[i]->vtx1=vesicle->vlist->vtx[0]+off; |
| | | retval=fread(&off,sizeof(ts_ulong),1,fh); |
| | | vesicle->blist->bond[i]->vtx2=vesicle->vlist->vtx[0]+off; |
| | | } |
| | | |
| | | /*restore triangles*/ |
| | | 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)); |
| | | retval=fread(vesicle->tlist->tria[i],sizeof(ts_triangle),1,fh); |
| | | /* restore pointers for vertices */ |
| | | retval=fread(&off,sizeof(ts_ulong),1,fh); |
| | | vesicle->tlist->tria[i]->vertex[0]=vesicle->vlist->vtx[0]+off; |
| | | retval=fread(&off,sizeof(ts_ulong),1,fh); |
| | | vesicle->tlist->tria[i]->vertex[1]=vesicle->vlist->vtx[0]+off; |
| | | retval=fread(&off,sizeof(ts_ulong),1,fh); |
| | | vesicle->tlist->tria[i]->vertex[2]=vesicle->vlist->vtx[0]+off; |
| | | /* restore pointers for neigh */ |
| | | for(j=0;j<vesicle->tlist->tria[i]->neigh_no;j++){ |
| | | retval=fread(&off,sizeof(ts_ulong),1,fh); |
| | | vesicle->tlist->tria[i]->neigh[j]=vesicle->tlist->tria[0]+off; |
| | | } |
| | | |
| | | } |
| | | |
| | | /*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); |
| | | } |
| | | |
| | | /* restore poly vertex(monomer) list*/ |
| | | for(i=0;i<vesicle->poly_list->n;i++){ |
| | | vesicle->poly_list->poly[i]->vlist->vtx=(ts_vertex **)calloc(vesicle->poly_list->poly[i]->vlist->n,sizeof(ts_vertex *)); |
| | | 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)); |
| | | 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(&off,sizeof(ts_ulong),1,fh); |
| | | vesicle->poly_list->poly[i]->vlist->vtx[j]->neigh[k]=vesicle->poly_list->poly[i]->vlist->vtx[0]+off; |
| | | } |
| | | 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(&off,sizeof(ts_ulong),1,fh); |
| | | vesicle->poly_list->poly[i]->vlist->vtx[j]->bond[k]=vesicle->poly_list->poly[i]->blist->bond[0]+off; |
| | | } |
| | | |
| | | } |
| | | } |
| | | /* restore poly bonds between monomers list*/ |
| | | for(i=0;i<vesicle->poly_list->n;i++){ |
| | | 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]->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(&off,sizeof(ts_ulong),1,fh); |
| | | vesicle->poly_list->poly[i]->blist->bond[j]->vtx1=vesicle->poly_list->poly[i]->vlist->vtx[0]+off; |
| | | retval=fread(&off,sizeof(ts_ulong),1,fh); |
| | | vesicle->poly_list->poly[i]->blist->bond[j]->vtx2=vesicle->poly_list->poly[i]->vlist->vtx[0]+off; |
| | | } |
| | | } |
| | | |
| | | |
| | | /* recalculate pointers using saved information on pointer addresses */ |
| | | /* following pointers need to be recalculated: |
| | | all vtx->neigh |
| | | all vtx->tristar |
| | | all vtx->bond |
| | | vtx->cell |
| | | vtx->grafted_poly |
| | | bond->vtx1 |
| | | bond->vtx2 |
| | | tria->vertex[*] |
| | | tria->neigh |
| | | cell->vertex |
| | | poly->grafted_vtx |
| | | poly->vlist->vtx->neigh |
| | | poly->vlist->vtx->bond |
| | | poly->vlist->vtx->cell |
| | | */ |
| | | |
| | | /* read pointers from disk */ |
| | | /* fwrite(vesicle->vlist->vtx, sizeof(ts_vertex *),1,fh); |
| | | fwrite(vesicle->blist->bond, sizeof(ts_bond *),1,fh); |
| | | fwrite(vesicle->tlist->tria, sizeof(ts_triangle *),1,fh); |
| | | fwrite(vesicle->clist->cell, sizeof(ts_cell *),1,fh); |
| | | fwrite(vesicle->poly_list->poly, sizeof(ts_poly *),1,fh); |
| | | for(i=0;i<vesicle->poly_list->n;i++){ |
| | | fwrite(vesicle->poly_list->poly[i]->vlist->vtx, sizeof(ts_vertex *),1,fh); |
| | | fwrite(vesicle->poly_list->poly[i]->blist->bond, sizeof(ts_bond *),1,fh); |
| | | } |
| | | */ |
| | | |
| | | |
| | | if(retval); |
| | | fclose(fh); |
| | | return vesicle; |
| | | } |
| | | |
| | | |
| | | |
| | | ts_bool print_vertex_list(ts_vertex_list *vlist){ |
| | | ts_uint i; |
| | | printf("Number of vertices: %u\n",vlist->n); |
| | |
| | | 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("%u(%u): ",vtx[i]->idx,vtx[i]->neigh->n); |
| | | for(j=0;j<vtx[i]->neigh->n;j++){ |
| | | printf("(%f,%f,%f)",vtx[i]->neigh->vtx[j]->x, |
| | | vtx[i]->neigh->vtx[j]->y,vtx[i]->neigh->vtx[j]->z); |
| | | } |
| | | printf("\n"); |
| | | } |
| | |
| | | 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[i]->neigh->n); |
| | | for(j=0;j<vlist->vtx[i]->neigh->n;j++){ |
| | | fprintf(fh,"\t%u",(ts_uint)(vlist->vtx[i]->neigh->vtx[j]->idx)); |
| | | //-vlist->vtx+1)); |
| | | } |
| | | fprintf(fh,"\n"); |
| | |
| | | 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]->neigh_no;j++){ |
| | | for(j=0;j<vlist->vtx[i]->neigh->n;j++){ |
| | | fprintf(fh," %.17E", vlist->vtx[i]->bond[j]->bond_length_dual); |
| | | } |
| | | fprintf(fh,"\n"); |
| | | for(j=0;j<vlist->vtx[i]->neigh_no;j++){ |
| | | for(j=0;j<vlist->vtx[i]->neigh->n;j++){ |
| | | fprintf(fh," %.17E", vlist->vtx[i]->bond[j]->bond_length); |
| | | } |
| | | fprintf(fh,"\n"); |