Cage

Namespaces
namespace	cage
	Functions for topological network criteria cage types.

Classes
struct	cage::Signature
	Ring-size census of a polyhedral cage: size -> number of faces. More...
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::Signature::Kind { cage::Signature::Kind::Census , cage::Signature::Kind::HexC , cage::Signature::Kind::DoubleDiaC }
enum class	cage::iceType {   cage::iceType::dummy , cage::iceType::hc , cage::iceType::ddc , cage::iceType::mixed ,   cage::iceType::pnc , cage::iceType::mixed2 }

Functions
static Signature	cage::Signature::parse (std::string_view spec)
std::string	cage::Signature::str () const
int	cage::Signature::faceCount () const
int	cage::Signature::maxRingSize () const
bool	cage::Signature::containsSize (int size) const
bool	cage::Signature::operator== (const Signature &other) const
bool	cage::Signature::operator!= (const Signature &other) const

Variables
std::map< int, int >	cage::Signature::counts
Kind	cage::Signature::kind = Kind::Census
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 60 of file cage.hpp.

{ HexC, DoubleDiaC };

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 107 of file cage.hpp.

{ dummy, hc, ddc, mixed, pnc, mixed2 };

Kind

enum class cage::Signature::Kind

strong

Enumerator
Census
HexC
DoubleDiaC

Definition at line 72 of file cage.hpp.

{ Census, HexC, DoubleDiaC };

Function Documentation

containsSize()

bool cage::Signature::containsSize

(

int

size

)

const

faceCount()

int cage::Signature::faceCount

(

)

const

maxRingSize()

int cage::Signature::maxRingSize

(

)

const

operator!=()

bool cage::Signature::operator!= ( const Signature & other ) const

inline

Definition at line 85 of file cage.hpp.

{ return !(*this == other); }

operator==()

bool cage::Signature::operator== ( const Signature & other ) const

inline

Definition at line 82 of file cage.hpp.

                                              {
    return kind == other.kind && counts == other.counts;
  }

parse()

Signature cage::Signature::parse ( std::string_view spec )

static

str()

std::string cage::Signature::str

(

)

const

Variable Documentation

counts

std::map<int, int> cage::Signature::counts

Definition at line 74 of file cage.hpp.

kind

Kind cage::Signature::kind = Kind::Census

Definition at line 75 of file cage.hpp.

rings

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

type of the cage : can be DDC or HC

Definition at line 120 of file cage.hpp.

type

cageType cage::Cage::type

Definition at line 119 of file cage.hpp.