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types.hh
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9 
10 /// @file core/id/types.hh
11 /// @brief core::id package type declarations
12 /// @author Stuart G. Mentzer (Stuart_Mentzer@objexx.com)
13 
14 
15 #ifndef INCLUDED_core_id_types_hh
16 #define INCLUDED_core_id_types_hh
17 
18 
19 // Package headers
20 #include <core/types.hh>
21 
22 
23 namespace core {
24 namespace id {
25 
26 
27 // Types
28 //typedef core::Real Real; // Could specialize Real for id here
29 
30 /// @brief DOF (degrees of freedom) type
31 /// - PHI: torsion or improper angle
32 /// - THETA: bond angle
33 /// - D: distance
34 /// - RB1-RB6: rigid-body jump translation and rotation
35 enum DOF_Type {
36  PHI = 1, // used for lookup into utility::vector1
38  D,
39  RB1,
40  RB2,
41  RB3,
42  RB4,
43  RB5,
45 };
46 static Size const n_DOF_Type( 9 ); // Update this if DOF_Type changes
47 
48 /// @brief Torsion type -- used in the TorsionID class
49 /// - BB: backbone torsion
50 /// - CHI: sidechain torsion
51 /// - JUMP: rigid-body transformation
53  BB = 1,
54  CHI,
56 };
57 
58 static Size const phi_torsion( 1 );
59 static Size const psi_torsion( 2 );
60 static Size const omega_torsion( 3 );
61 
62 } // namespace id
63 } // namespace core
64 
65 
66 #endif // INCLUDED_core_id_types_HH