#include #include #include //#include "io.h" #include "general.h" #include "timestep.h" #include "vertexmove.h" #include "bondflip.h" #include "frame.h" #include "io.h" ts_bool run_simulation(ts_vesicle *vesicle, ts_uint mcsweeps, ts_uint inititer, ts_uint iterations, ts_uint start_iteration){ ts_uint i, j; // char filename[255]; centermass(vesicle); cell_occupation(vesicle); if(start_iteration=inititer){ write_vertex_xml_file(vesicle,i-inititer); write_master_xml_file("test.pvd"); // sprintf(filename,"timestep-%05d.pov",i-inititer); // write_pov_file(vesicle,filename); } } return TS_SUCCESS; } ts_bool single_timestep(ts_vesicle *vesicle){ ts_bool retval; ts_double rnvec[3]; ts_uint i,j,b; for(i=0;ivlist->n;i++){ rnvec[0]=drand48(); rnvec[1]=drand48(); rnvec[2]=drand48(); retval=single_verticle_timestep(vesicle,vesicle->vlist->vtx[i],rnvec); } // ts_int cnt=0; for(i=0;i<3*vesicle->vlist->n;i++){ //why is rnvec needed in bondflip? /* rnvec[0]=drand48(); rnvec[1]=drand48(); rnvec[2]=drand48(); */ b=rand() % vesicle->blist->n; //find a bond and return a pointer to a bond... //call single_bondflip_timestep... retval=single_bondflip_timestep(vesicle,vesicle->blist->bond[b],rnvec); // if(retval==TS_SUCCESS) cnt++; } for(i=0;ipoly_list->n;i++){ for(j=0;jpoly_list->poly[i]->vlist->n;j++){ rnvec[0]=drand48(); rnvec[1]=drand48(); rnvec[2]=drand48(); retval=single_poly_vertex_move(vesicle,vesicle->poly_list->poly[i],vesicle->poly_list->poly[i]->vlist->vtx[j],rnvec); } } for(i=0;ifilament_list->n;i++){ for(j=0;jfilament_list->poly[i]->vlist->n;j++){ rnvec[0]=drand48(); rnvec[1]=drand48(); rnvec[2]=drand48(); retval=single_filament_vertex_move(vesicle,vesicle->filament_list->poly[i],vesicle->filament_list->poly[i]->vlist->vtx[j],rnvec); } } // printf("Bondflip success rate in one sweep: %d/%d=%e\n", cnt,3*vesicle->blist->n,(double)cnt/(double)vesicle->blist->n/3.0); if(retval); return TS_SUCCESS; }