/* vim: set ts=4 sts=4 sw=4 noet : */ #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" #include "dumpstate.h" #include "restore.h" #include "plugins.h" #include /** 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. */ #include int main(int argv, char *argc[]){ ts_char *plugin0 = (ts_char *)calloc(255,sizeof(ts_char)); ts_char *plugin1 = (ts_char *)calloc(255,sizeof(ts_char)); ts_char *plugin2 = (ts_char *)calloc(255,sizeof(ts_char)); ts_char *plugin3 = (ts_char *)calloc(255,sizeof(ts_char)); ts_char *plugin4 = (ts_char *)calloc(255,sizeof(ts_char)); ts_char *plugin5 = (ts_char *)calloc(255,sizeof(ts_char)); ts_char *plugin6 = (ts_char *)calloc(255,sizeof(ts_char)); ts_char *plugin7 = (ts_char *)calloc(255,sizeof(ts_char)); strcpy(plugin0,"/home/samo/programiranje/trisurf-ng/src/plugins/.libs/demoplugin.so"); strcpy(plugin1,"/home/samo/programiranje/trisurf-ng/src/plugins/.libs/vmdefaulthardconstraints.so"); strcpy(plugin2,"/home/samo/programiranje/trisurf-ng/src/plugins/.libs/plane_confinement.so"); strcpy(plugin3,"/home/samo/programiranje/trisurf-ng/src/plugins/.libs/pressure.so"); strcpy(plugin4,"/home/samo/programiranje/trisurf-ng/src/plugins/.libs/constant_volume.so"); strcpy(plugin5,"/home/samo/programiranje/trisurf-ng/src/plugins/.libs/constant_area.so"); strcpy(plugin6,"/home/samo/programiranje/trisurf-ng/src/plugins/.libs/stretching_energy.so"); strcpy(plugin7,"/home/samo/programiranje/trisurf-ng/src/plugins/.libs/direct_force_on_c0.so"); ts_char **plugins=(ts_char **)calloc(8,sizeof(ts_char *)); plugins[0]=plugin0; plugins[1]=plugin1; plugins[2]=plugin2; plugins[3]=plugin3; plugins[4]=plugin4; plugins[5]=plugin5; plugins[6]=plugin6; plugins[7]=plugin7; ts_plugin_list *plist=init_plugin_list(plugins,8); //printf("%s", plist->chain->at_start->next->plugin->filename); //ts_fprintf(stdout, "TRISURF in PRVI PLUGIN %s\n", plist->plugin[0]->details->name); ts_vesicle *vesicle; ts_tape *tape; ts_uint start_iteration=0; force_from_tape=0; /* Area and volume for constant area and constant volume are initialized to be zero */ A0=0; V0=0; /* create lock file */ createPidFile("ts_trisurf",".lock",0); parse_args(argv,argc); // sets global variable command_line_args (defined in io.h) ts_fprintf(stdout,"TRISURF-NG v. %s, compiled on: %s %s.\n", TS_VERSION, __DATE__, __TIME__); ts_fprintf(stdout,"Programming done by: Samo Penic and Miha Fosnaric\n"); ts_fprintf(stdout,"Released under terms of GPLv3\n"); ts_fprintf(stdout,"Starting program...\n\n"); /* Entry point for plugin function at_start() */ ts_plugin_chain *ptr=plist->chain->at_start; while(ptr!=NULL){ ptr->plugin->function->at_start(argv,argc); ptr=ptr->next; } if(command_line_args.dump_from_vtk[0]!=0){ ts_fprintf(stdout,"************************************************\n"); ts_fprintf(stdout,"**** Restoring vesicle from VTK points list ****\n"); ts_fprintf(stdout,"************************************************\n\n"); vesicle = parseDump(command_line_args.dump_from_vtk); tape = vesicle->tape; int arguments_no; FILE *fd=fopen(".status","r"); if(fd!=NULL){ arguments_no=fscanf(fd,"%u", &start_iteration); if(arguments_no==0){ ts_fprintf(stdout,"No information of start iteration in .status file\n"); } fclose(fd); start_iteration++; } else ts_fprintf(stdout,"No .status file. The iteration count will start from 0\n"); } else 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(command_line_args.tape_fullfilename); 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(command_line_args.tape_fullfilename); 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); } } } vesicle->plist=plist; /* Entry point for plugin after_vesicle_init() function */ vesicle->plist->pointer=vesicle->plist->chain->after_vesicle_init; while(vesicle->plist->pointer!=NULL){ vesicle=vesicle->plist->pointer->plugin->function->after_vesicle_init(vesicle); vesicle->plist->pointer=vesicle->plist->pointer->next; } run_simulation(vesicle, tape->mcsweeps, tape->inititer, tape->iterations, start_iteration); write_master_xml_file(command_line_args.output_fullfilename); write_dout_fcompat_file(vesicle,"dout"); /* Entry point for plugin cleanup() function */ ptr=plist->chain->cleanup; while(ptr!=NULL){ ptr->plugin->function->cleanup(); ptr=ptr->next; } vesicle_free(vesicle); tape_free(tape); return 0; //program finished perfectly ok. We return 0. }