Trisurf Monte Carlo simulator
Samo Penic
2012-07-12 dcd35081a6f08c911169aca6913fd71b88531b97
src/main.c
@@ -8,6 +8,8 @@
#include "vesicle.h"
#include "io.h"
#include "initial_distribution.h"
#include "frame.h"
#include "timestep.h"
/** Entrance function to the program
  * @param argv is a number of parameters used in program call (including the program name
@@ -17,6 +19,7 @@
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();
@@ -27,26 +30,27 @@
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");
retval=vtx_add_cneighbour(blist,vlist->vtx[0],vlist->vtx[1]);
retval=vtx_add_neighbour(vlist->vtx[0],vlist->vtx[1]);
if(retval==TS_FAIL) printf("2. already a member or vertex is null!\n");
retval=vtx_remove_neighbour(vlist->vtx[0],vlist->vtx[1]);
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");
vlist->vtx[0]->data->x=1.0;
vlist->vtx[0]->data->x=1.1;
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]->data->nvertex);
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]->data->nvertex);
printf("Cell idx=1 has vertex[0] has x coordinate=%e\n",clist->cell[0]->data->vertex[0]->data->x);
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]->data->nvertex);
printf("Cell idx=1 has vertices=%u\n",clist->cell[0]->nvertex);
cell_add_vertex(clist->cell[0], vlist->vtx[0]);
@@ -57,8 +61,24 @@
vtx_list_free(vlist1);
printf("Tests complete.\n");
vesicle=initial_distribution_dipyramid(17,10,10,10,0.15);
write_vertex_xml_file(vesicle,0);
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<100;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);