Trisurf Monte Carlo simulator
Samo Penic
2014-03-06 a37ba25eb9dc4b99ced8e8dcc3c36b9ed434a262
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
@@ -18,14 +19,15 @@
*/
int main(int argv, char *argc[]){
ts_uint inititer,mcsweeps, iterations;
ts_vesicle *vesicle, *vesicle1;
/* THIS SHOULD GO INTO UNIT TEST
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;
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");
@@ -61,24 +63,27 @@
vtx_list_free(vlist1);
printf("Tests complete.\n");
vesicle=initial_distribution_dipyramid(17,60,60,60,0.15);
//parsetape(vesicle,&i);
*/
vesicle1=parsetape(&mcsweeps, &inititer, &iterations);
//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);
/*Testing */
//vesicle->poly_list=init_poly_list(1400,20,vesicle->vlist);
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);
}
}
//poly_list_free(vesicle->poly_list);
/*End testing*/
//write_vertex_xml_file(vesicle,0);
//vesicle_free(vesicle);
dump_state(vesicle1);
vesicle=restore_state();
//write_vertex_xml_file(vesicle,1);
//write_master_xml_file("test.pvd");
//vesicle_free(vesicle1);
//vesicle_free(vesicle);
vesicle_free(vesicle1);
fprintf(stderr,"Starting simulation...");
run_simulation(vesicle, mcsweeps, inititer, iterations);
write_master_xml_file("test.pvd");
write_dout_fcompat_file(vesicle,"dout");
vesicle_free(vesicle);