Searched refs:count_heavy_atoms (Results 1 – 4 of 4) sorted by relevance
| /dports/biology/babel/babel-1.6/ |
| H A D | typbybo.c | 88 i,Type(i),Valence(i),free_ox,Atomic_number(i),count_heavy_atoms(mol,i)); in assign_type_by_bo()
211 if ((Atomic_number(conn) == 8) && (count_heavy_atoms(mol,conn) == 1)) in type_attached_oxygens()
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| H A D | asstypes.c | 376 (count_heavy_atoms(mol,k) == 1)) in phase6()
724 count_heavy_atoms(ums_type *mol, int atom_number) in count_heavy_atoms() function
753 (count_heavy_atoms(mol,bonded_atom) == 1)) in count_free_ox()
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| H A D | utils.c | 116 count_heavy_atoms(mol, count), in print_ums()
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| H A D | babel.h | 67 extern int count_heavy_atoms(ums_type *mol, int atom_number);
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