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40 #include "gpp_bond_atomtype.h"
42 #include "gromacs/topology/symtab.h"
43 #include "gromacs/utility/cstringutil.h"
44 #include "gromacs/utility/smalloc.h"
47 int nr; /* The number of atomtypes */
48 char ***atomname; /* Names of the atomtypes */
51 int get_bond_atomtype_type(char *str, t_bond_atomtype at)
53 gpp_bond_atomtype *ga = (gpp_bond_atomtype *) at;
57 for (i = 0; (i < ga->nr); i++)
59 if (gmx_strcasecmp(str, *(ga->atomname[i])) == 0)
68 char *get_bond_atomtype_name(int nt, t_bond_atomtype at)
70 gpp_bond_atomtype *ga = (gpp_bond_atomtype *) at;
72 if ((nt < 0) || (nt >= ga->nr))
77 return *(ga->atomname[nt]);
80 t_bond_atomtype init_bond_atomtype(void)
82 gpp_bond_atomtype *ga;
86 return (t_bond_atomtype ) ga;
89 void add_bond_atomtype(t_bond_atomtype at, t_symtab *tab,
92 gpp_bond_atomtype *ga = (gpp_bond_atomtype *) at;
95 srenew(ga->atomname, ga->nr);
96 ga->atomname[ga->nr-1] = put_symtab(tab, name);
99 void done_bond_atomtype(t_bond_atomtype *at)
101 gpp_bond_atomtype *ga = (gpp_bond_atomtype *) *at;