#include #include #include #include "general.h" #include "vertex.h" #include "bond.h" #include "triangle.h" #include "cell.h" #include "vesicle.h" #include "io.h" #include "initial_distribution.h" #include "frame.h" #include "timestep.h" #include "poly.h" #include "sh.h" #include "shcomplex.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 * @returns returns 0 on success, any other number on fail. */ int main(int argv, char *argc[]){ 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 { 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->pswitch =tape->pswitch; vesicle->pressure=tape->pressure; vesicle->dmax=tape->dmax*tape->dmax; poly_assign_filament_xi(vesicle,tape); free(vesicle->tape); vesicle->tape=tape; vesicle->clist->dmin_interspecies = tape->dmin_interspecies*tape->dmin_interspecies; /* spherical harmonics */ if(tape->shc>0){ vesicle->sphHarmonics=complex_sph_init(vesicle->vlist,tape->shc); } else { vesicle->sphHarmonics=NULL; } if(command_line_args.reset_iteration_count) start_iteration=tape->inititer; else start_iteration++; 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; } /* if requested in tape, we can have smaller number of polymeres attached to membrane than the number of polymeres in dump file */ if(vesicle->tape->npoly != vesicle->poly_list->n){ ts_fprintf(stdout,"(INFO) the number of polymeres attached to membrane in tape is different than a number of polymeres in dump file!\n"); if(vesicle->tape->npoly > vesicle->poly_list->n){ ts_fprintf(stdout,"(INFO) It is possible to decrease the number of polymeres on the membrane, but it is not allowed to increase its number. The maximal allowed number in tape is %d The execution of program will terminate!\n",vesicle->poly_list->n); fatal("Terminating due to increase of number of polymeres",1); } else { remove_random_polymeres(vesicle->poly_list, vesicle->poly_list->n - vesicle->tape->npoly); ts_fprintf(stdout,"(INFO)\n(INFO) The new number of polymeres from tape is %d.\n\n",vesicle->poly_list->n); } } } 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. }