static void print_rtp(const char *filenm, const char *title, t_atoms *atoms, t_params plist[], gpp_atomtype_t atype, int cgnr[]) { FILE *fp; int i, tp; char *tpnm; fp = gmx_fio_fopen(filenm, "w"); fprintf(fp, "; %s\n", title); fprintf(fp, "\n"); fprintf(fp, "[ %s ]\n", *atoms->resinfo[0].name); fprintf(fp, "\n"); fprintf(fp, "[ atoms ]\n"); for (i = 0; (i < atoms->nr); i++) { tp = atoms->atom[i].type; if ((tpnm = get_atomtype_name(tp, atype)) == NULL) { gmx_fatal(FARGS, "tp = %d, i = %d in print_rtp", tp, i); } fprintf(fp, "%-8s %12s %8.4f %5d\n", *atoms->atomname[i], tpnm, atoms->atom[i].q, cgnr[i]); } print_pl(fp, plist, F_BONDS, "bonds", atoms->atomname); print_pl(fp, plist, F_ANGLES, "angles", atoms->atomname); print_pl(fp, plist, F_PDIHS, "dihedrals", atoms->atomname); print_pl(fp, plist, F_IDIHS, "impropers", atoms->atomname); gmx_fio_fclose(fp); }
int main(int argc, char *argv[]){ int i,j; char ch; scanf("%d\n",&n); for(i=0;i<n;i++){ for(j=0;j<i;j++){ scanf("%c",&ch); if(ch=='+'){ p[i].wl[j]=1; p[j].wl[i]=0; } else{ p[i].wl[j]=0; p[j].wl[i]=1; } } scanf("#\n"); } print_pl(); for(i=2;i<n;i++){ if(rec_gr(i)==1){ print_way(); return 0; } printf("----\n"); } return 0; }