From 42641cde38cfd1d27a2031604cc1397b5bd2849b Mon Sep 17 00:00:00 2001
From: Samo Penic <samo.penic@gmail.com>
Date: Fri, 21 Mar 2014 20:57:24 +0000
Subject: [PATCH] Merge with trout-rnc.

---
 src/io.c |  331 +++++++++++++++++++++++++++++++++++++++++--------------
 1 files changed, 246 insertions(+), 85 deletions(-)

diff --git a/src/io.c b/src/io.c
index aeda240..b222081 100644
--- a/src/io.c
+++ b/src/io.c
@@ -18,7 +18,7 @@
 #include <errno.h>
 /** DUMP STATE TO DISK DRIVE **/
 
-ts_bool dump_state(ts_vesicle *vesicle){
+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;
@@ -36,6 +36,8 @@
     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*/
@@ -118,6 +120,43 @@
         }
     }
 
+
+  /*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
@@ -131,16 +170,31 @@
 */
 
 	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_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;
 
@@ -165,6 +219,9 @@
     /* 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 */
@@ -307,6 +364,61 @@
         }
     }
 
+    /*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); 
@@ -316,6 +428,7 @@
         	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;
@@ -324,24 +437,30 @@
 
 
 ts_bool parse_args(int argc, char **argv){
- int c, retval;
- DIR *dir;
-    path[0]=0;
+    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,       &force_from_tape, 1},
+           {"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-file", required_argument,0, 'f'},
+           {"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:fot",
+       c = getopt_long (argc, argv, "d:f:o:t:",
                         long_options, &option_index);
 
        /* Detect the end of the options. */
@@ -362,46 +481,56 @@
 
          case 't':
             //check if tape exists. If not, fail immediately.
-           puts ("option -t\n");
+            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
-           printf ("option -o with value `%s'\n", optarg);
-           break;
+            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);
-            dir = opendir(optarg);
-            if (dir)
-            {
-                /* Directory exists. */
-                closedir(dir);
-            }
-            else if (ENOENT == errno)
-            {
-                /* Directory does not exist. */
+            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);
+                    fatal("Could not create requested directory. Check if you have permissions",1);
                 }
             }
-            else
-            {
-                /* opendir() failed for some other reason. */
-                fatal("Could not check if directory exists. Reason unknown",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);
             }
-            ts_fprintf(stdout,"\n*** Using output directory: %s\n\n", optarg);
-//            sprintf(path,"%s", optarg);
-            strcpy(path, optarg);
-           // ts_fprintf(stdout,"ok!\n"); 
-
+            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 '?':
@@ -520,11 +649,11 @@
         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]->bond_no;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]->bond_no;j++){
             fprintf(fh," %.17E", vlist->vtx[i]->bond[j]->bond_length);
         }
             fprintf(fh,"\n");
@@ -632,8 +761,8 @@
 	/* Here comes header of the file */
 
 	//find number of extra vtxs and bonds of polymeres
-	ts_uint monono=0, polyno=0, poly_idx=0;
-	ts_bool poly=0;
+	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;
@@ -641,8 +770,17 @@
 		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+monono*polyno, blist->n+monono*polyno);
+    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);
@@ -652,6 +790,16 @@
 		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);
 			}
 		}
@@ -666,6 +814,14 @@
 		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 );
 			}
 		}
 	}
@@ -688,14 +844,26 @@
 
 	}
 	
+	//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+monono*polyno)*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+monono*polyno;i++){
+     for (i=0;i<blist->n+monono*polyno+fonono*filno;i++){
         fprintf(fh,"3 ");
     }
 
@@ -750,74 +918,67 @@
 
 
 
-ts_vesicle *parsetape(ts_uint *mcsweeps, ts_uint *inititer, ts_uint *iterations){
-    long int nshell=17,ncxmax=60, ncymax=60, nczmax=60, npoly=10, nmono=20;  // THIS IS DUE TO CONFUSE BUG!
-    char *buf=malloc(255*sizeof(char));
-    long int brezveze0=1;
+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;
+    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_INT("npoly", &npoly),
-        CFG_SIMPLE_INT("nmono", &nmono),
-        CFG_SIMPLE_FLOAT("dmax", &dmax),
-        CFG_SIMPLE_FLOAT("xk0",&xk0),
-        CFG_SIMPLE_FLOAT("k_spring",&kspring),
-        CFG_SIMPLE_FLOAT("stepsize",&stepsize),
-        CFG_SIMPLE_INT("nxmax", &ncxmax),
-        CFG_SIMPLE_INT("nymax", &ncymax),
-        CFG_SIMPLE_INT("nzmax", &nczmax),
-        CFG_SIMPLE_INT("iterations",&iter),
-	CFG_SIMPLE_INT("mcsweeps",&mcsw),
-	CFG_SIMPLE_INT("inititer", &init),
-        CFG_SIMPLE_BOOL("quiet",&quiet),
-        CFG_SIMPLE_STR("multiprocessing",buf),
-        CFG_SIMPLE_INT("smp_cores",&brezveze0),
-        CFG_SIMPLE_INT("cluster_nodes",&brezveze1),
-        CFG_SIMPLE_INT("distributed_processes",&brezveze2),
+        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);
 	}
-	ts_vesicle *vesicle;
-    	*iterations=iter;
-	*inititer=init;
-	*mcsweeps=mcsw;
-	vesicle=initial_distribution_dipyramid(nshell,ncxmax,ncymax,nczmax,stepsize);
-	vesicle->poly_list=init_poly_list(npoly,nmono, vesicle->vlist);
-	vesicle->spring_constant=kspring;
-	poly_assign_spring_const(vesicle);
-	
-
-    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);
-	free(buf);
-  //  fprintf(stderr,"NSHELL=%u\n",vesicle->nshell);
 
-			
 
-    return vesicle;
+	/* 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;
 }
 
 

--
Gitblit v1.9.3