Trisurf Monte Carlo simulator
Samo Penic
2020-04-09 4f5ffcfd5ba38b6b7dd6d3b15de8bb8677537b9f
src/main.c
@@ -1,5 +1,7 @@
/* vim: set ts=4 sts=4 sw=4 noet : */
#include<stdio.h>
#include<math.h>
#include<stdlib.h>
#include "general.h"
#include "vertex.h"
#include "bond.h"
@@ -10,7 +12,12 @@
#include "initial_distribution.h"
#include "frame.h"
#include "timestep.h"
#include "poly.h"
#include "sh.h"
#include "shcomplex.h"
#include "restore.h"
#include <fcntl.h>
/** Entrance function to the program
  * @param argv is a number of parameters used in program call (including the program name
  * @param argc is a pointer to strings (character arrays) which holds the arguments
@@ -18,70 +25,61 @@
*/
int main(int argv, char *argc[]){
ts_bool retval;
ts_uint i;
    ts_vertex_list *vlist=init_vertex_list(5);
ts_vertex_list *vlist1;
ts_bond_list *blist=init_bond_list();
ts_triangle_list *tlist=init_triangle_list();
ts_cell_list *clist=init_cell_list(3,3,3,0.3);
ts_vesicle *vesicle;
   ts_vesicle *vesicle=NULL;
   ts_tape *tape=NULL;
   ts_uint start_iteration=0;
   force_from_tape=0;
   /* Area and volume for constant area and constant volume are initialized to be zero */
   A0=0;
   V0=0;
   /* create lock file */
   createPidFile("ts_trisurf",".lock",0);
   parse_args(argv,argc); // sets global variable command_line_args (defined in io.h)
   ts_fprintf(stdout,"TRISURF-NG v. %s, compiled on: %s %s.\n", TS_VERSION, __DATE__, __TIME__);
   ts_fprintf(stdout,"Programming done by: Samo Penic and Miha Fosnaric\n");
   ts_fprintf(stdout,"Released under terms of GPLv3\n");
   ts_fprintf(stdout,"Starting program...\n\n");
//   vesicle = parseDump("timestep_000000.vtu");
//      run_simulation(vesicle, vesicle->tape->mcsweeps, vesicle->tape->inititer, vesicle->tape->iterations, 1);
retval=vtx_add_cneighbour(blist,vlist->vtx[1],vlist->vtx[0]);
if(retval==TS_FAIL) printf("1. already a member or vertex is null!\n");
    if(command_line_args.dump_from_vtk[0]!=0){
      ts_fprintf(stdout,"************************************************\n");
      ts_fprintf(stdout,"**** Restoring vesicle from VTK points list ****\n");
      ts_fprintf(stdout,"************************************************\n\n");
      vesicle = parseDump(command_line_args.dump_from_vtk);
      write_vertex_xml_file(vesicle,9999, NULL); // here you can test if restoration and rewritting results in the same dump file. Only the date od creation of dump file must differ.
      printf("Dumped 9999 and exit\n");
      exit(12);
      tape = vesicle->tape;
      int arguments_no;
      FILE *fd=fopen(".status","r");
      if(fd!=NULL){
         arguments_no=fscanf(fd,"%u", &start_iteration);
         if(arguments_no==0){
            ts_fprintf(stdout,"No information of start iteration in .status file\n");
            }
         fclose(fd);
         start_iteration++;
      }
      else
         ts_fprintf(stdout,"No .status file. The iteration count will start from 0\n");
    }
   else if(command_line_args.force_from_tape){
      ts_fprintf(stdout,"************************************************\n");
      ts_fprintf(stdout,"**** Generating initial geometry from tape *****\n");
      ts_fprintf(stdout,"************************************************\n\n");
      tape=parsetape(command_line_args.tape_fullfilename);
      vesicle=create_vesicle_from_tape(tape);
   } else {
retval=vtx_add_cneighbour(blist,vlist->vtx[0],vlist->vtx[1]);
if(retval==TS_FAIL) printf("2. already a member or vertex is null!\n");
fprintf(stderr,"Was here");
retval=vtx_remove_neighbour(vlist->vtx[0],vlist->vtx[1]);
vtx_add_neighbour(vlist->vtx[0],vlist->vtx[1]);
fprintf(stderr,"Was here too!\n");
vlist->vtx[0]->x=1.0;
vlist->vtx[0]->x=1.1;
vlist1=vertex_list_copy(vlist);
bond_add(blist, vlist->vtx[1],vlist->vtx[0]);
triangle_add(tlist,vlist->vtx[1],vlist->vtx[2],vlist->vtx[3]);
triangle_add(tlist,vlist->vtx[1],vlist->vtx[2],vlist->vtx[3]);
printf("Cell idx=1 has vertices=%u\n",clist->cell[0]->nvertex);
cell_add_vertex(clist->cell[0], vlist->vtx[0]);
printf("Cell idx=1 has vertices=%u\n",clist->cell[0]->nvertex);
printf("Cell idx=1 has vertex[0] has x coordinate=%e\n",clist->cell[0]->vertex[0]->x);
cell_list_cell_occupation_clear(clist);
printf("Cell idx=1 has vertices=%u\n",clist->cell[0]->nvertex);
cell_add_vertex(clist->cell[0], vlist->vtx[0]);
triangle_list_free(tlist);
bond_list_free(blist);
vtx_list_free(vlist);
cell_list_free(clist);
vtx_list_free(vlist1);
printf("Tests complete.\n");
vesicle=initial_distribution_dipyramid(17,60,60,60,0.15);
//parsetape(vesicle,&i);
//these four must come from parsetype!
vesicle->dmax=1.67*1.67;
vesicle->stepsize=0.15;
vesicle->clist->max_occupancy=8;
vesicle->bending_rigidity=25.0;
fprintf(stderr,"xk=%f",vesicle->bending_rigidity);
centermass(vesicle);
cell_occupation(vesicle);
for(i=0;i<10000;i++){
single_timestep(vesicle);
if(i%100==0){
write_vertex_xml_file(vesicle,i/100);
}
}
write_master_xml_file("test.pvd");
write_dout_fcompat_file(vesicle,"dout");
vesicle_free(vesicle);
return 0; //program finished perfectly ok. We return 0.
      ts_fprintf(stdout,"**********************************************************************\n");
      ts_fprintf(stdout,"**** Recreating vesicle from dump file and continuing simulation *****\n");
      ts_fprintf(stdout,"**********************************************************************\n\n");
               ts_fprintf(stderr, "Dump file does not exist or is not a regular file! Did you mean to invoke trisurf with --force-from-tape  or --restore-from-vtk option?\n\n");
      fatal("Recreating vesicle from binary dump file not supported anymore. Sorry.",254);
   }
   run_simulation(vesicle, tape->mcsweeps, tape->inititer, tape->iterations, start_iteration);
   vesicle_free(vesicle);
   tape_free(tape);
   return 0; //program finished perfectly ok. We return 0.