Public Member Functions
	BondLabelData (const OneByte valence_, const OneByte isAromatic_)

Data Fields
OneByte	isAromatic

OneByte	valence
	number of valence electrons of the bond More...

Detailed Description

Data type that stores information connected to a certain bond label.

Definition at line 168 of file MoleculeUtil.hh.

Constructor & Destructor Documentation

ggl::chem::MoleculeUtil::BondLabelData::BondLabelData	(	const OneByte	valence_,
		const OneByte	isAromatic_
	)

inline

Construction

Parameters

valence_	the number of valence electrons to set
isAromatic_	set 1 if the bond is part of an aromatic ring; 0 otherwise

Definition at line 181 of file MoleculeUtil.hh.

OneByte ggl::chem::MoleculeUtil::BondLabelData::isAromatic

is set to 1 if the label denotes a part of an aromatic ring, 0 otherwise

Definition at line 174 of file MoleculeUtil.hh.

OneByte ggl::chem::MoleculeUtil::BondLabelData::valence

Definition at line 171 of file MoleculeUtil.hh.

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