ggl::chem::MoleculeDecomposition::RingDescriptor Class Reference

descriptor of a ring within the molecule

#include <MoleculeDecomposition.hh>

Public Types
typedef std::pair< size_t, size_t >	Edge
typedef std::set< Edge >	EdgeSet

Public Member Functions
bool	isContained (const RingDescriptor &largerRing) const
bool	operator< (const RingDescriptor &toCompare) const
	decides order based on ring set size More...
	RingDescriptor (const EdgeSet &edges)
	RingDescriptor (const sgm::RingReporter::RingList &ringList)

Data Fields
EdgeSet	edges
	edge set of this ring More...

Detailed Description

Definition at line 260 of file MoleculeDecomposition.hh.

Member Typedef Documentation

typedef std::pair<size_t,size_t> ggl::chem::MoleculeDecomposition::RingDescriptor::Edge

Definition at line 262 of file MoleculeDecomposition.hh.

typedef std::set<Edge> ggl::chem::MoleculeDecomposition::RingDescriptor::EdgeSet

Definition at line 263 of file MoleculeDecomposition.hh.

Constructor & Destructor Documentation

ggl::chem::MoleculeDecomposition::RingDescriptor::RingDescriptor ( const EdgeSet &  edges )

inline

constructor

Parameters

edges

the edge set to set

Definition at line 270 of file MoleculeDecomposition.hh.

ggl::chem::MoleculeDecomposition::RingDescriptor::RingDescriptor

(

const sgm::RingReporter::RingList &

ringList

)

constructor

Parameters

ringList

the ring to describe

Member Function Documentation

bool ggl::chem::MoleculeDecomposition::RingDescriptor::isContained

(

const RingDescriptor &

largerRing

)

const

Checks whether or not this ring is contained within the other larger ring as a fuse with some other ring. Therefore, the edge set difference leaves only one edge.

Parameters

largerRing

the larger ring this ring might be contained

Returns

true, if the set difference of this edge set with the edge set of the larger ring leaves only one edge

bool ggl::chem::MoleculeDecomposition::RingDescriptor::operator<

(

const RingDescriptor &

toCompare

)

const

Field Documentation

EdgeSet ggl::chem::MoleculeDecomposition::RingDescriptor::edges

Definition at line 266 of file MoleculeDecomposition.hh.

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

• src/ggl/chem/MoleculeDecomposition.hh