Trisurf Monte Carlo simulator
mihaf
2014-03-19 b30f45332934a27d267bac995eb6a94cc7cf5d9d
src/main.c
@@ -10,6 +10,7 @@
#include "initial_distribution.h"
#include "frame.h"
#include "timestep.h"
#include "poly.h"
/** Entrance function to the program
  * @param argv is a number of parameters used in program call (including the program name
@@ -18,57 +19,48 @@
*/
int main(int argv, char *argc[]){
ts_uint inititer,mcsweeps, iterations;
ts_vesicle *vesicle;
/* THIS SHOULD GO INTO UNIT TEST
ts_bool retval;
    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_tape *tape;
   ts_uint start_iteration=0;
   force_from_tape=0;
   parse_args(argv,argc); // sets global variable command_line_args (defined in io.h)
   ts_fprintf(stdout,"Starting program...\n\n");
   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("tape");
      vesicle=create_vesicle_from_tape(tape);
   } else {
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");
      ts_fprintf(stdout,"**********************************************************************\n");
      ts_fprintf(stdout,"**** Recreating vesicle from dump file and continuing simulation *****\n");
      ts_fprintf(stdout,"**********************************************************************\n\n");
      tape=parsetape("tape");
      vesicle=restore_state(&start_iteration);
        if(vesicle==NULL){
            ts_fprintf(stderr, "Dump file does not exist or is not a regular file! Did you mean to invoke trisurf with --force-from-tape option?\n\n");
            return 1;
        }
      // nove vrednosti iz tapea...
      vesicle->bending_rigidity=tape->xk0;
      vtx_set_global_values(vesicle);
      vesicle->pressure=tape->pressure;
      vesicle->dmax=tape->dmax*tape->dmax;
retval=vtx_add_neighbour(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[1],vlist->vtx[0]);
vtx_add_neighbour(vlist->vtx[0],vlist->vtx[1]);
fprintf(stderr,"Was here too!\n");
      if(command_line_args.reset_iteration_count) start_iteration=tape->inititer+1;
      else start_iteration++;
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]);
      if(start_iteration>=tape->iterations){
         ts_fprintf(stdout, "Simulation already completed. if you want to rerun it try with --force-from-tape or --reset-iteration-count\n\n");
         return 0;
      }
   }
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=parsetape(&mcsweeps, &inititer, &iterations);
run_simulation(vesicle, mcsweeps, inititer, iterations);
write_master_xml_file("test.pvd");
write_dout_fcompat_file(vesicle,"dout");
vesicle_free(vesicle);
return 0; //program finished perfectly ok. We return 0.
   run_simulation(vesicle, tape->mcsweeps, tape->inititer, tape->iterations, start_iteration);
   write_master_xml_file("test.pvd");
   write_dout_fcompat_file(vesicle,"dout");
   vesicle_free(vesicle);
   tape_free(tape);
   return 0; //program finished perfectly ok. We return 0.