/* testpdb.c */

#include <stdio.h>
#include <stdlib.h>
#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;
}