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37 
38 #ifndef GMX_GMXPREPROCESS_SPECBOND_H
39 #define GMX_GMXPREPROCESS_SPECBOND_H
40 
41 #include <string>
42 #include <vector>
43 
44 #include "gromacs/math/vectypes.h"
45 
46 struct t_atoms;
47 struct SpecialBond;
48 
49 struct DisulfideBond
50 {
51     int         firstResidue = -1, secondResidue = -1;
52     std::string firstAtom, secondAtom;
53 };
54 
55 std::vector<DisulfideBond> makeDisulfideBonds(t_atoms* pdba, rvec x[], bool bInteractive, bool bVerbose);
56 
57 std::vector<SpecialBond> generateSpecialBonds();
58 
59 #endif
60