# undef _I_I_I_I /* +++++++++ */ # define _I_I_I_I "hbond.c" /* +++++++++ */ /* ========== */ double FindCosine (atom_record *a , atom_record *b, atom_record *c) /* ========== */ ; /* ========= */ double FindAngle (atom_record *a, atom_record * b, atom_record * c) /* ========= */ ; /* ==================== */ void CalculateHbondAngles /* ==================== */ (atom_record *acc, atom_record *don, double *CNH_O_Angle, double *NH_OC_Angle) ; /* ============ */ bool IsAnAcceptor(atom_record * ac) /* ============ */ ; /* ======== */ bool IsADonor (atom_record * don) /* ======== */ ; /* ====================== */ bool AreCovalentlyConnected ( atom_record * cc, double Dist ) /* ====================== */ ; /* ========== */ bool AreHbonded /* ========== */ (atom_record *acc, atom_record *don, double Dist, double *CNH_O_Angle, double *NH_OC_Angle, bool flag) ; /* =========== */ Hbond_Data *SortHbonds (Hbond_Data *Hbond, int n) /* =========== */ ; /* =========== */ void PrintHbonds (Hbond_Data *Hbond, int n) /* =========== */ ; /* ============ */ void PrintHbonded /* ============ */ (atom_record *acc, atom_record *don, double Dist, double CNH_O_Angle, double NH_OC_Angle) ; /* ========================= */ void FindAllHbondsInAStructure (file_records * f, bool flag, bool sort) /* ========================= */ ;