cage.hpp
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4 // the Free Software Foundation, either version 3 of the License, or
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10 
11 #ifndef __CAGE_H_
12 #define __CAGE_H_
13 #include <vector>
14 
36 // Namespace for cages
37 namespace cage {
38 
39 // Type of a cage (a group of rings)
51 
52 // Type of ice for a particular atom. Dummy means that the atom is unclassified
53 // and is most probably water
71 enum iceType { dummy, hc, ddc, mixed, pnc, mixed2 };
72 
73 // Each DDC has one equatorial ring and 6 peripheral rings
74 // Each HC has two basal planes and 3 prismatic planes
82 struct Cage {
85 };
86 
87 } // namespace cage
88 
89 #endif // __CAGE_H_
cageType
Definition: cage.hpp:50
std::vector< int > rings
type of the cage : can be DDC or HC
Definition: cage.hpp:84
iceType
Definition: cage.hpp:71
cageType type
Definition: cage.hpp:83
@ HexC
Definition: cage.hpp:50
@ DoubleDiaC
Definition: cage.hpp:50
@ dummy
Definition: cage.hpp:71
@ pnc
Definition: cage.hpp:71
@ ddc
Definition: cage.hpp:71
@ mixed
Definition: cage.hpp:71
@ hc
Definition: cage.hpp:71
@ mixed2
Definition: cage.hpp:71
Functions for topological network criteria cage types. This namespace contains structs and enums for ...
Definition: cage.hpp:37
This contains a cage, with the constituent rings.
Definition: cage.hpp:82