#include "pdb.h"

typedef struct char8 { char name[8] ; } char8 ;

double atom_vdw[ MAX_ATOM_TYPE ] ;
double atom_covalent[ MAX_ATOM_TYPE ] ;
double atom_charge[ MAX_ATOM_TYPE ] ;

char8 atom_type_names[ MAX_ATOM_TYPE ] = {0};

/* MBG: 26 April 1996. 

   These routines had a rather annoying bug.  Basically, the problem
   is when find_atom_definitions() returns 0, it can be interpreted
   two ways: either there is a serious error or we've found atom type
   0. This obviously leads to problems. To get around this, I have
   changed the indexing in the atom_* arrays to start at 1 instead of
   0 (as marked below).

   */
       

char * atom_type_name(int index)
{
  return atom_type_names[index].name ;
}


int find_type_definition (char *name)
{
  int ii ;
  
  /* ii used to start at 0 ! */
  for (ii =1 ; ii < MAX_ATOM_TYPE ; ii++) {
    char *k =  atom_type_names[ii].name ;
    if (k == NULL ) break ;
    if(!strncmp(name, k,8) )
      return ii ;
  }
  serious_error(1, "Unknown atom type", name) ;
  return 0 ;
}

int allocate_atom_type(char *name)
{
  
  int ii ;
  
  /* ii used to start at 0 ! */
  for (ii =1 ; ii < MAX_ATOM_TYPE ; ii++) {
    char *k =  atom_type_names[ii].name ;
    if (k[0] == '\0') {
      strncpy(k,name,8);
      return ii ;
    }
    if ( !strncmp(name, k ,8) )
      return ii ;
  }
  serious_error(1, "Too many atom types","") ; 
  return 0 ;
}


void read_atom_types (FILE *ff)
{
  char string[200] ; 
  
  while (fgets(string,200,ff) != NULL) {
    char name [200] ; 
    double charge,vdw,covalent;
    int ii ;
    
    ii = sscanf(string, LF_STRING_02, name,&vdw,&covalent,&charge) ;

    if (ii > 0) {
      if (ii < 3)
	serious_error(1, "Something wrong in atom type", string) ;
      
      ii = allocate_atom_type(name) ;
      atom_charge[ii] = charge;
      atom_covalent[ii] = covalent;
      atom_vdw[ii] = vdw;
    }
  }
}