From ff8152b46e7957beffeafca580abc90df47d9d28 Mon Sep 17 00:00:00 2001 From: Samo Penic <samo.penic@gmail.com> Date: Fri, 21 Mar 2014 21:15:31 +0000 Subject: [PATCH] Merge branch 'trisurf-polyel' --- src/io.c | 763 ++++++++++++++++++++++++++++++++++++++++++++++++++++++---- 1 files changed, 705 insertions(+), 58 deletions(-) diff --git a/src/io.c b/src/io.c index 8688067..b222081 100644 --- a/src/io.c +++ b/src/io.c @@ -8,6 +8,548 @@ #include<stdlib.h> #include <sys/types.h> #include <dirent.h> +#include "initial_distribution.h" +#include "poly.h" + +#include <getopt.h> +#include <sys/stat.h> +#include <sys/types.h> +#include <dirent.h> +#include <errno.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("dump.bin","wb"); + + /* dump vesicle */ + fwrite(vesicle, sizeof(ts_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); + /* 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); + + 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("dump.bin","rb"); + + struct stat sb; + if (stat("dump.bin", &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),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]; + } + } + +// recreating space for cells // + vesicle->clist=(ts_cell_list *)malloc(sizeof(ts_cell_list)); + retval=fread(vesicle->clist, sizeof(ts_cell_list), 1,fh); + vesicle->clist->cell=(ts_cell **)malloc(sizeof(ts_cell *)*vesicle->clist->ncmax[0]*vesicle->clist->ncmax[1]*vesicle->clist->ncmax[2]); + for(i=0;i<vesicle->clist->ncmax[0]*vesicle->clist->ncmax[1]*vesicle->clist->ncmax[2];i++){ + vesicle->clist->cell[i]=(ts_cell *)calloc(1,sizeof(ts_cell)); + vesicle->clist->cell[i]->idx=i+1; // We enumerate cells! Probably never required! + } + + retval=fread(iteration,sizeof(ts_uint),1,fh); + if(retval); + fclose(fh); + return vesicle; +} + + + +ts_bool parse_args(int argc, char **argv){ + int c, retval; + struct stat sb; + sprintf(command_line_args.path, "./"); //clear string; + sprintf(command_line_args.output_fullfilename,"./output.pvd"); + sprintf(command_line_args.dump_fullfilename,"./dump.bin"); + sprintf(command_line_args.tape_fullfilename,"./tape"); + FILE *file; + +while (1) + { + static struct option long_options[] = + { + {"force-from-tape", no_argument, &(command_line_args.force_from_tape), 1}, + {"reset-iteration-count", no_argument, &(command_line_args.reset_iteration_count), 1}, + {"tape", no_argument, 0, 't'}, + {"output-file", required_argument, 0, 'o'}, + {"directory", required_argument, 0, 'd'}, + {"dump-filename", required_argument,0, 'f'}, + {0, 0, 0, 0} + }; + /* getopt_long stores the option index here. */ + int option_index = 0; + + c = getopt_long (argc, argv, "d:f:o:t:", + long_options, &option_index); + + /* Detect the end of the options. */ + if (c == -1) + break; + + switch (c) + { + case 0: + /* If this option set a flag, do nothing else now. */ + if (long_options[option_index].flag != 0) + break; + printf ("option %s", long_options[option_index].name); + if (optarg) + printf (" with arg %s", optarg); + printf ("\n"); + break; + + case 't': + //check if tape exists. If not, fail immediately. + if (stat(optarg, &sb) == -1) { + ts_fprintf(stderr,"Tape '%s' does not exist!\n",optarg); + fatal("Please select correct tape",1); + } else { + strcpy(command_line_args.tape_fullfilename,optarg); + } + break; + + case 'o': + //set filename of master output file + if ((file = fopen(optarg, "w")) == NULL) { + fprintf(stderr,"Could not create output file!\n"); + fatal("Please specify correct output file",1); + + } else { + fclose(file); + } + strcpy(command_line_args.output_fullfilename, optarg); + break; + + case 'd': + //check if directory exists. If not create one. If creation is + //successful, set directory for output files. + //printf ("option -d with value `%s'\n", optarg); + if (stat(optarg, &sb) == -1) { + //directory does not exist + retval=mkdir(optarg, 0700); + if(retval){ + fatal("Could not create requested directory. Check if you have permissions",1); + } + } + //check if is a proper directory + else if((sb.st_mode & S_IFMT) != S_IFDIR) { + //it is not a directory. fatal error. + ts_fprintf(stderr,"%s is not a directory!\n",optarg); + fatal("Cannot continue",1); + } + strcpy(command_line_args.path, optarg); + break; + + case 'f': + //check if dump file specified exists. Defaults to dump.bin + if ((file = fopen(optarg, "w")) == NULL) { + fprintf(stderr,"Could not create dump file!\n"); + fatal("Please specify correct dump file",1); + + } else { + fclose(file); + } + strcpy(command_line_args.dump_fullfilename, optarg); + break; + + case '?': + /* getopt_long already printed an error message. */ + + ts_fprintf(stderr,"\n\nhere comes the help.\n\n"); + fatal("Ooops, read help first",1); + break; + + default: + exit (1); + } + } + + return TS_SUCCESS; + +} + + ts_bool print_vertex_list(ts_vertex_list *vlist){ @@ -15,7 +557,7 @@ 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]->data->x, vlist->vtx[i]->data->y, vlist->vtx[i]->data->z); +vlist->vtx[i]->idx,vlist->vtx[i]->x, vlist->vtx[i]->y, vlist->vtx[i]->z); } return TS_SUCCESS; } @@ -25,10 +567,10 @@ 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]->data->neigh_no); - for(j=0;j<vtx[i]->data->neigh_no;j++){ - printf("(%f,%f,%f)",vtx[i]->data->neigh[j]->data->x, -vtx[i]->data->neigh[j]->data->y,vtx[i]->data->neigh[j]->data->z); + 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"); } @@ -47,7 +589,7 @@ return TS_FAIL; } for(i=0;i<vlist->n;i++) - fprintf(fh," %E\t%E\t%E\n",vtx[i]->data->x,vtx[i]->data->y, vtx[i]->data->z); + fprintf(fh," %E\t%E\t%E\n",vtx[i]->x,vtx[i]->y, vtx[i]->z); fclose(fh); return TS_SUCCESS; @@ -57,11 +599,11 @@ 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]->data->x, - vlist->vtx[i]->data->y, vlist->vtx[i]->data->z, - vlist->vtx[i]->data->neigh_no); - for(j=0;j<vlist->vtx[i]->data->neigh_no;j++){ - fprintf(fh,"\t%u",(ts_uint)(vlist->vtx[i]->data->neigh[j]->idx)); + 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"); @@ -72,9 +614,9 @@ 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]->data->tristar_no); - for(j=0;j<vesicle->vlist->vtx[i]->data->tristar_no;j++){ - fprintf(fh,"\t%u",(ts_uint)(vesicle->vlist->vtx[i]->data->tristar[j]->idx));//-vesicle->tlist->tria+1)); + 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"); } @@ -105,14 +647,14 @@ 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]->data->xk,vlist->vtx[i]->data->c,vlist->vtx[i]->data->energy, - vlist->vtx[i]->data->energy_h, vlist->vtx[i]->data->curvature, 0); - for(j=0;j<vlist->vtx[i]->data->neigh_no;j++){ - fprintf(fh," %.17E", vlist->vtx[i]->data->bond[j]->bond_length_dual); + 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]->data->neigh_no;j++){ - fprintf(fh," %.17E", vlist->vtx[i]->data->bond[j]->bond_length); + for(j=0;j<vlist->vtx[i]->bond_no;j++){ + fprintf(fh," %.17E", vlist->vtx[i]->bond[j]->bond_length); } fprintf(fh,"\n"); } @@ -206,7 +748,7 @@ ts_vertex_list *vlist=vesicle->vlist; ts_bond_list *blist=vesicle->blist; ts_vertex **vtx=vlist->vtx; - ts_uint i; + ts_uint i,j; char filename[255]; FILE *fh; @@ -217,29 +759,111 @@ return TS_FAIL; } /* Here comes header of the file */ + + //find number of extra vtxs and bonds of polymeres + ts_uint monono=0, polyno=0, poly_idx=0, filno=0, fonono=0; + ts_bool poly=0, fil=0; + if(vesicle->poly_list!=NULL){ + if(vesicle->poly_list->poly[0]!=NULL){ + polyno=vesicle->poly_list->n; + monono=vesicle->poly_list->poly[0]->vlist->n; + poly=1; + } + } + + if(vesicle->filament_list!=NULL){ + if(vesicle->filament_list->poly[0]!=NULL){ + filno=vesicle->filament_list->n; + fonono=vesicle->filament_list->poly[0]->vlist->n; + fil=1; + } + } + fprintf(fh, "<?xml version=\"1.0\"?>\n<VTKFile type=\"UnstructuredGrid\" version=\"0.1\" byte_order=\"LittleEndian\" compressor=\"vtkZLibDataCompressor\">\n <UnstructuredGrid>\n"); - fprintf(fh, "<Piece NumberOfPoints=\"%u\" NumberOfCells=\"%u\">\n",vlist->n, blist->n); + fprintf(fh, "<Piece NumberOfPoints=\"%u\" NumberOfCells=\"%u\">\n",vlist->n+monono*polyno+fonono*filno, blist->n+monono*polyno+filno*(fonono-1)); fprintf(fh,"<PointData Scalars=\"scalars\">\n<DataArray type=\"Int64\" Name=\"scalars\" format=\"ascii\">"); for(i=0;i<vlist->n;i++){ fprintf(fh,"%u ",vtx[i]->idx); } + //polymeres + if(poly){ + poly_idx=vlist->n; + for(i=0;i<vesicle->poly_list->n;i++){ + for(j=0;j<vesicle->poly_list->poly[i]->vlist->n;j++,poly_idx++){ + fprintf(fh,"%u ", poly_idx); + } + } + } + //filaments + if(fil){ + poly_idx=vlist->n+monono*polyno; + for(i=0;i<vesicle->filament_list->n;i++){ + for(j=0;j<vesicle->filament_list->poly[i]->vlist->n;j++,poly_idx++){ + // fprintf(stderr,"was here\n"); + fprintf(fh,"%u ", poly_idx); + } + } + } fprintf(fh,"</DataArray>\n</PointData>\n<CellData>\n</CellData>\n<Points>\n<DataArray type=\"Float64\" Name=\"Koordinate tock\" NumberOfComponents=\"3\" format=\"ascii\">\n"); for(i=0;i<vlist->n;i++){ - fprintf(fh,"%e %e %e\n",vtx[i]->data->x,vtx[i]->data->y, vtx[i]->data->z); + fprintf(fh,"%e %e %e\n",vtx[i]->x,vtx[i]->y, vtx[i]->z); + } + //polymeres + if(poly){ + for(i=0;i<vesicle->poly_list->n;i++){ + for(j=0;j<vesicle->poly_list->poly[i]->vlist->n;j++){ + fprintf(fh,"%e %e %e\n", vesicle->poly_list->poly[i]->vlist->vtx[j]->x,vesicle->poly_list->poly[i]->vlist->vtx[j]->y, vesicle->poly_list->poly[i]->vlist->vtx[j]->z ); + } + } + } + //filaments + if(fil){ + for(i=0;i<vesicle->filament_list->n;i++){ + for(j=0;j<vesicle->filament_list->poly[i]->vlist->n;j++){ + fprintf(fh,"%e %e %e\n", vesicle->filament_list->poly[i]->vlist->vtx[j]->x,vesicle->filament_list->poly[i]->vlist->vtx[j]->y, vesicle->filament_list->poly[i]->vlist->vtx[j]->z ); + } + } } fprintf(fh,"</DataArray>\n</Points>\n<Cells>\n<DataArray type=\"Int64\" Name=\"connectivity\" format=\"ascii\">"); for(i=0;i<blist->n;i++){ fprintf(fh,"%u %u\n",blist->bond[i]->vtx1->idx,blist->bond[i]->vtx2->idx); } + //polymeres + if(poly){ + poly_idx=vlist->n; + for(i=0;i<vesicle->poly_list->n;i++){ + for(j=0;j<vesicle->poly_list->poly[i]->blist->n;j++){ +// fprintf(fh,"%u %u\n", vesicle->poly_list->poly[i]->blist->bond[j]->vtx1->idx,vesicle->poly_list->poly[i]->blist->bond[j]->vtx2->idx); + fprintf(fh,"%u %u\n", vesicle->poly_list->poly[i]->blist->bond[j]->vtx1->idx+vlist->n+i*monono,vesicle->poly_list->poly[i]->blist->bond[j]->vtx2->idx+vlist->n+i*monono); + } + //grafted bonds + fprintf(fh,"%u %u\n", vesicle->poly_list->poly[i]->grafted_vtx->idx, vesicle->poly_list->poly[i]->vlist->vtx[0]->idx+vlist->n+i*monono); + } + + } + + //filaments + if(fil){ + poly_idx=vlist->n+monono*polyno; + for(i=0;i<vesicle->filament_list->n;i++){ + for(j=0;j<vesicle->filament_list->poly[i]->blist->n;j++){ + fprintf(fh,"%u %u\n", vesicle->filament_list->poly[i]->blist->bond[j]->vtx1->idx+vlist->n+monono*polyno+i*fonono,vesicle->filament_list->poly[i]->blist->bond[j]->vtx2->idx+vlist->n+monono*polyno+i*fonono); +// fprintf(stderr,"was here\n"); + + } + } + + } + fprintf(fh,"</DataArray>\n<DataArray type=\"Int64\" Name=\"offsets\" format=\"ascii\">"); - for (i=2;i<blist->n*2+1;i+=2){ + for (i=2;i<(blist->n+monono*polyno+(fonono-1)*filno)*2+1;i+=2){ fprintf(fh,"%u ",i); } fprintf(fh,"\n"); fprintf(fh,"</DataArray>\n<DataArray type=\"UInt8\" Name=\"types\" format=\"ascii\">\n"); - for (i=0;i<blist->n;i++){ + for (i=0;i<blist->n+monono*polyno+fonono*filno;i++){ fprintf(fh,"3 "); } @@ -270,7 +894,7 @@ 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]->data->x,vtx[i]->data->y, vtx[i]->data->z); + 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); @@ -286,7 +910,7 @@ fprintf(fh,"LOOKUP_TABLE default\n"); for(i=0;i<vlist->n;i++) - fprintf(fh,"%u\n",vtx[i]->data->idx); + fprintf(fh,"%u\n",vtx[i]->idx); fclose(fh); return TS_SUCCESS; @@ -294,44 +918,67 @@ -ts_bool parsetape(ts_vesicle *vesicle,ts_uint *iterations){ - long int nshell=17,ncxmax=60, ncymax=60, nczmax=60; // THIS IS DUE TO CONFUSE BUG! - ts_double xk0=25.0, dmax=1.67,stepsize=0.15; - *iterations=1000; +ts_tape *parsetape(char *filename){ + // long int nshell=17,ncxmax=60, ncymax=60, nczmax=60, npoly=10, nmono=20, pswitch=0; // THIS IS DUE TO CONFUSE BUG! + ts_tape *tape=(ts_tape *)calloc(1,sizeof(ts_tape)); + tape->multiprocessing=calloc(255,sizeof(char)); + /* long int brezveze0=1; + long int brezveze1=1; + long int brezveze2=1; + ts_double xk0=25.0, dmax=1.67,stepsize=0.15,kspring=800.0,pressure=0.0; + long int iter=1000, init=1000, mcsw=1000; +*/ + cfg_opt_t opts[] = { - CFG_SIMPLE_INT("nshell", &nshell), - CFG_SIMPLE_FLOAT("dmax", &dmax), - CFG_SIMPLE_FLOAT("xk0",&xk0), - CFG_SIMPLE_FLOAT("stepsize",&stepsize), - CFG_SIMPLE_INT("nxmax", &ncxmax), - CFG_SIMPLE_INT("nymax", &ncymax), - CFG_SIMPLE_INT("nzmax", &nczmax), - CFG_SIMPLE_INT("iterations",iterations), - CFG_SIMPLE_BOOL("quiet",&quiet), + CFG_SIMPLE_INT("nshell", &tape->nshell), + CFG_SIMPLE_INT("npoly", &tape->npoly), + CFG_SIMPLE_INT("nmono", &tape->nmono), + CFG_SIMPLE_INT("nfil",&tape->nfil), + CFG_SIMPLE_INT("nfono",&tape->nfono), + CFG_SIMPLE_INT("R_nucleus",&tape->R_nucleus), + CFG_SIMPLE_FLOAT("dmax", &tape->dmax), + CFG_SIMPLE_FLOAT("xk0",&tape->xk0), + CFG_SIMPLE_INT("pswitch",&tape->pswitch), + CFG_SIMPLE_FLOAT("pressure",&tape->pressure), + CFG_SIMPLE_FLOAT("k_spring",&tape->kspring), + CFG_SIMPLE_FLOAT("xi",&tape->xi), + CFG_SIMPLE_FLOAT("stepsize",&tape->stepsize), + CFG_SIMPLE_INT("nxmax", &tape->ncxmax), + CFG_SIMPLE_INT("nymax", &tape->ncymax), + CFG_SIMPLE_INT("nzmax", &tape->nczmax), + CFG_SIMPLE_INT("iterations",&tape->iterations), + CFG_SIMPLE_INT("mcsweeps",&tape->mcsweeps), + CFG_SIMPLE_INT("inititer", &tape->inititer), + CFG_SIMPLE_BOOL("quiet",&tape->quiet), + CFG_SIMPLE_STR("multiprocessing",tape->multiprocessing), + CFG_SIMPLE_INT("smp_cores",&tape->brezveze0), + CFG_SIMPLE_INT("cluster_nodes",&tape->brezveze1), + CFG_SIMPLE_INT("distributed_processes",&tape->brezveze2), CFG_END() }; cfg_t *cfg; ts_uint retval; cfg = cfg_init(opts, 0); - retval=cfg_parse(cfg, "tape"); + retval=cfg_parse(cfg, filename); if(retval==CFG_FILE_ERROR){ fatal("No tape file.",100); } else if(retval==CFG_PARSE_ERROR){ fatal("Invalid tape!",100); } - vesicle->nshell=nshell; - vesicle->dmax=dmax*dmax; - vesicle->bending_rigidity=xk0; - vesicle->stepsize=stepsize; - vesicle->clist->ncmax[0]=ncxmax; - vesicle->clist->ncmax[1]=ncymax; - vesicle->clist->ncmax[2]=nczmax; - vesicle->clist->max_occupancy=8; - cfg_free(cfg); -// fprintf(stderr,"NSHELL=%u\n",vesicle->nshell); - return TS_SUCCESS; + cfg_free(cfg); + + + /* global variables are set automatically */ + quiet=tape->quiet; + return tape; +} + +ts_bool tape_free(ts_tape *tape){ + free(tape->multiprocessing); + free(tape); + return TS_SUCCESS; } @@ -351,11 +998,11 @@ vesicle->vlist=init_vertex_list(nvtx); vlist=vesicle->vlist; for(i=0;i<nvtx;i++){ - // fscanf(fh,"%F %F %F",&vlist->vtx[i]->data->x,&vlist->vtx[i]->data->y,&vlist->vtx[i]->data->z); + // 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]->data->x=x; - vlist->vtx[i]->data->y=y; - vlist->vtx[i]->data->z=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); @@ -368,8 +1015,8 @@ /* for(i=0;i<ntria;i++){ retval=fscanf(fh,"%u %u %u", &bi1, &bi2, &bi3); - vtxi1=vesicle->blist->data->vertex1->idx; - vtxi2=vesicle->blist->data->vertex1->idx; + vtxi1=vesicle->blist->vertex1->idx; + vtxi2=vesicle->blist->vertex1->idx; } */ -- Gitblit v1.9.3