#include "dist.h"

void LoopOverNeighbors
(atom_record *atom,neibour_descr *neibours,int neibour_count)
{}

void SaveAtomVertices(int n,atom_record * a, vertex *v1, vertex *v2)
{
  double V[4];
  char buf[BUFSIZ];
  static atom_record * current_atom ;
  static const char * ObjName = "WritePoly" ;
  static bool Print = false ;
  static vector_count =0;
  static atom_count =0;
  switch (n) {
  case 0:
    /* 1=t for text 
       2=The number of non-comment lines following this header.
       Thus, for a 327 line file without any '!' lines, this number
       would be 326.  
       3=80 characters across
       .                   1 2  3 */
    printf("DRAW_OBJECT_%s t %s 80\n",ObjName,"ChangeThisToTotalLines");
    printf("Begin_object %s\n",ObjName);
    break;
  case 1 :
    current_atom = a ;
    sprintfAtomShortForm (buf,a);
    printf("\n! Beginning Atom %20s\n",buf);
    break;
  case 2:
  case 3:
  case 4:
    vector_count ++ ;
    /* STDOUT("! 2: ->1->2"); */
    V[1] = v1->x ; V[2] = v1->y ; V[3] = v1->z ;
    O_gdl_Vector(V,0);
    V[1] = v2->x ; V[2] = v2->y ; V[3] = v2->z ;
    O_gdl_Vector(V,1);
    break ;
  case 5:
    {
      double occ = a->occ ;
      double b = a->b ;
      atom_count ++ ;
      a->occ = a->volume ;
      a->b = a->surface ;
      printf("! volume= %12.4f MaxDistSq= %12.4f\n",
	     a->volume,a->surface);
      sprintfAtomShortForm (buf,a);
      printf("\n! Ending Atom %4d : %20s\n",atom_count,buf);
      printf("! ");
      write_pdb_record (stdout, a,0);
      a->occ = occ ;
      a->b = b ;
    }
    break ;
  case 6:
    printf("End_object\n");
    printf("! Total_Vectors = %6d\n",vector_count) ;
    printf("! Total_Lines   = %6d\n",2*vector_count + 2) ;
    break;
  default:
    STDERR("You defaulted on your loan");
  }
}


main(int argc,char **argv)
{
  SAY_HI_FIRST ;
  CITATION ;
  default_initialization();
  {
    file_records *f = open_and_read_pdb(STRG_AFTER_OPT_W_ENV("i","in.pdb"),0);
    char *outputfile = STRG_AFTER_OPT_W_ENV("o",NULL);
    FILE *ff = outputfile == NULL ? stdout : fopen(outputfile, "w") ;
    atom_record ** A = f->atoms ;
    int n = f->atomnum ;
    SaveAtomVertices(0,NULL,NULL,NULL);
    NN_Calculate_Volumes(f, (int) DoubleAfterOption(argc,argv,"method",2),
			64.0, 6.0);
    SaveAtomVertices(6,NULL,NULL,NULL);
  }
}