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#ifndef GMX_GMX_NM2TYPE_H
#define GMX_GMX_NM2TYPE_H

#include <cstdio>

class PreprocessingAtomTypes;
struct t_atoms;
struct InteractionsOfType;
struct t_symtab;

struct t_nm2type
{
    char *  elem, *type;
    double  q, m;
    int     nbonds;
    char**  bond;
    double* blen;
};

t_nm2type* rd_nm2type(const char* ffdir, int* nnm);
/* Read the name 2 type database. nnm is the number of entries
 * ff is the force field.
 */

void dump_nm2type(FILE* fp, int nnm, t_nm2type nm2t[]);
/* Dump the database for debugging. Can be reread by the program */

int nm2type(int                     nnm,
            t_nm2type               nm2t[],
            t_symtab*               tab,
            t_atoms*                atoms,
            PreprocessingAtomTypes* atype,
            int*                    nbonds,
            InteractionsOfType*     bond);
/* Try to determine the atomtype (force field dependent) for the atoms
 * with help of the bond list
 */

#endif
