/* testpdb.c */ #include #include #include "mdio.h" #define BUFLEN 7 int main(int argc, char **argv) { MD_Dvec v[BUFLEN]; double s[BUFLEN]; int i, n, total; const char *pdbfile; Pdb pdb; if (argc != 2) { fprintf(stderr, "usage: %s pdbfile\n", argv[0]); exit(1); } pdbfile = argv[1]; mdio_startup(); pdb_init(&pdb); pdb_open(&pdb, pdbfile, PDBTYPE_STANDARD); total = 0; do { pdb_read(&pdb, v, s, NULL, DOUBLETYPE, BUFLEN, &n); for (i = 0; i < n; i++, total++) { printf("%2d %10.6f %10.6f %10.6f %10.6f\n", total, v[i].x, v[i].y, v[i].z, s[i]); } printf("\n"); } while (n == BUFLEN); pdb_close(&pdb); pdb_destroy(&pdb); mdio_shutdown(); return 0; }