#include <AromaticityPerception.hh>

Public Member Functions
	AdjacencyData (const size_t nID=0, const size_t val=0, const size_t openEdges=0, const size_t aromEdges=0)

Data Fields
size_t	aromaticEdges
	the number of adjacent labeled aromatic ring edges More...

size_t	nodeID
	ID of the node described. More...

size_t	openEdges
	the number of non-labeled adjacent ring edges More...

size_t	remValence

Detailed Description

Describes the edge information of a node participating in a ring to enable the correct relabeling of ring edges.

Definition at line 82 of file AromaticityPerception.hh.

Constructor & Destructor Documentation

ggl::chem::AromaticityPerception::AdjacencyData::AdjacencyData	(	const size_t	nID = `0`,
		const size_t	val = `0`,
		const size_t	openEdges = `0`,
		const size_t	aromEdges = `0`
	)

inline

Construction

Parameters

nID	node ID
val	remaining valence to be distributed
openEdges	number of adjacent non-labeled ring edges to relabel
aromEdges	number of adjacent labeled aromatic ring edges

Definition at line 100 of file AromaticityPerception.hh.

Field Documentation

size_t ggl::chem::AromaticityPerception::AdjacencyData::aromaticEdges

Definition at line 93 of file AromaticityPerception.hh.

size_t ggl::chem::AromaticityPerception::AdjacencyData::nodeID

Definition at line 85 of file AromaticityPerception.hh.

size_t ggl::chem::AromaticityPerception::AdjacencyData::openEdges

Definition at line 91 of file AromaticityPerception.hh.

size_t ggl::chem::AromaticityPerception::AdjacencyData::remValence

the remaining valence of the node to be distributed among the adjacent ring edges, i.e. the valence of the atom minus the bonds valence of all labeled adjacent bonds

Definition at line 89 of file AromaticityPerception.hh.

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

src/ggl/chem/AromaticityPerception.hh

Public Member Functions

Data Fields

Detailed Description

Constructor & Destructor Documentation

Field Documentation