CMGVertex Class Reference

Class for the vertices of an IXCondensedMolecularGraph. More...

#include <indigox/graph/condensed.hpp>

Public Types
enum	ContractedSymmetry
	Enum for the contracted symmetry groups. More...

Public Member Functions
	CMGVertex ()=default
	CMGVertex (const CMGVertex &)=default
	CMGVertex (CMGVertex &&)=default
	~ CMGVertex ()=default
const std::vector< CondensedVertex > &	GetCondensedVertices () const
std::vector< MGVertex >	GetContractedVertices () const
const CondensedMolecularGraph &	GetGraph () const
	Get the graph this vertex is part of. More...
const VertexIsoMask &	GetIsomorphismMask () const
	Get the isomorphism testing mask. More...
const MGVertex &	GetSource () const
	Get the MGVertex associated with this vertex. More...
bool	IsContractedHere (const MGVertex &v) const
	Checks if a given MGVertex is contracted into this vertex. More...
size_t	NumContracted () const
	Get the number of contracted vertices. More...
size_t	NumContracted (ContractedSymmetry sym) const
	Get the number of contracted vertices in the symmetry group. More...
	operator bool () const
bool	operator!= (const CMGVertex &v) const
bool	operator< (const CMGVertex &v) const
bool	operator<= (const CMGVertex &v) const
CMGVertex &	operator= (CMGVertex &&)=default
CMGVertex &	operator= (const CMGVertex &)=default
bool	operator== (const CMGVertex &v) const
bool	operator> (const CMGVertex &v) const
bool	operator>= (const CMGVertex &v) const

Friends
class	cereal::access
	Friendship allows for serialisation. More...
class	CondensedMolecularGraph
	Friendship allows IXCondensedMolecularGraph to add vertices. More...
std::ostream &	operator<< (std::ostream &os, const CMGVertex &v)

Detailed Description

Class for the vertices of an IXCondensedMolecularGraph.

Member Enumeration Documentation

ContractedSymmetry

enum ContractedSymmetry

strong

Enum for the contracted symmetry groups.

Enumerator
Hydrogen	Group for contracted hydrogen atoms.
Fluorine	Group for contracted fluorine atoms.
Chlorine	Group for contracted chlorine atoms.
Bromine	Group for contracted bromine atoms.
Iodine	Group for contracted iodine atoms.

Constructor & Destructor Documentation

CMGVertex() [1/3]

CMGVertex ( )

default

CMGVertex() [2/3]

CMGVertex ( const CMGVertex &  )

default

CMGVertex() [3/3]

CMGVertex ( CMGVertex &&  )

default

~ CMGVertex()

~ CMGVertex ( )

default

Member Function Documentation

GetCondensedVertices()

const std::vector<CondensedVertex>& GetCondensedVertices

(

)

const

GetContractedVertices()

std::vector<MGVertex> GetContractedVertices

(

)

const

GetGraph()

const CondensedMolecularGraph& GetGraph

(

)

const

Get the graph this vertex is part of.

Returns

the owning graph.

GetIsomorphismMask()

const VertexIsoMask& GetIsomorphismMask

(

)

const

Get the isomorphism testing mask.

Returns

the isomorphism testing mask.

GetSource()

const MGVertex& GetSource

(

)

const

Get the MGVertex associated with this vertex.

Returns

the associated MGVertex, if it is still alive.

IsContractedHere()

bool IsContractedHere

(

const MGVertex &

v

)

const

Checks if a given MGVertex is contracted into this vertex.

Parameters

v	the vertex to check for. return if the provided vertex is contracted into this one.

NumContracted() [1/2]

size_t NumContracted

(

)

const

Get the number of contracted vertices.

Returns

the number of contracted vertices.

NumContracted() [2/2]

size_t NumContracted

(

ContractedSymmetry

sym

)

const

Get the number of contracted vertices in the symmetry group.

Returns

the number of vertices of the given symmetry group contracted.

operator bool()

operator bool ( ) const

inline

operator!=()

bool operator!= ( const CMGVertex &  v ) const

inline

operator<()

bool operator<

(

const CMGVertex &

v

)

const

operator<=()

bool operator<= ( const CMGVertex &  v ) const

inline

operator=() [1/2]

CMGVertex& operator= ( CMGVertex &&  )

default

operator=() [2/2]

CMGVertex& operator= ( const CMGVertex &  )

default

operator==()

bool operator==

(

const CMGVertex &

v

)

const

operator>()

bool operator>

(

const CMGVertex &

v

)

const

operator>=()

bool operator>= ( const CMGVertex &  v ) const

inline

Friends And Related Function Documentation

cereal::access

friend class cereal::access

friend

Friendship allows for serialisation.

CondensedMolecularGraph

friend class CondensedMolecularGraph

friend

Friendship allows IXCondensedMolecularGraph to add vertices.

operator<<

std::ostream& operator<< ( std::ostream &  os, const CMGVertex &  v  )

friend

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The documentation for this class was generated from the following file:

• include/indigox/graph/condensed.hpp