All Data Structures Namespaces Files Functions Variables Enumerations Enumerator Modules Pages
Cage

Namespaces

namespace  cage
 Functions for topological network criteria cage types. This namespace contains structs and enums for cage types.
 

Data Structures

struct  cage::Cage
 This contains a cage, with the constituent rings. More...
 

Enumerations

enum class  cage::cageType { cage::cageType::HexC , cage::cageType::DoubleDiaC }
 
enum class  cage::iceType {
  cage::iceType::dummy , cage::iceType::hc , cage::iceType::ddc , cage::iceType::mixed ,
  cage::iceType::pnc , cage::iceType::mixed2
}
 

Variables

cageType cage::Cage::type
 
std::vector< int > cage::Cage::rings
 type of the cage : can be DDC or HC
 

Detailed Description

Enumeration Type Documentation

◆ cageType

enum class cage::cageType
strong
Enumerator
HexC 

The type for a hexagonal cage

DoubleDiaC 

The type for a double-diamond cage

Definition at line 54 of file cage.hpp.

Code

◆ iceType

enum class cage::iceType
strong
Enumerator
dummy 

Type for an atom which does not belong to any kind of cage

hc 

Type for an atom which belongs to an HC

ddc 

Type for an atom which belongs to a DDC

mixed 

Type for an atom which is part of a mixed ring, shared by both a DDC and an HC

pnc 
mixed2 

Definition at line 75 of file cage.hpp.

Code

Variable Documentation

◆ rings

std::vector<int> cage::Cage::rings

type of the cage : can be DDC or HC

Definition at line 88 of file cage.hpp.

◆ type

cageType cage::Cage::type

Definition at line 87 of file cage.hpp.