CDPL::Chem::PatternBasedTautomerizationRule::BondOrderChange Struct Reference

Encodes a single bond-order change between two pattern atoms applied when the parent transformation pattern matches. More...

#include <PatternBasedTautomerizationRule.hpp>

Public Attributes
std::size_t	atom1ID
	Pattern-atom ID of the first atom of the bond whose order changes. More...
std::size_t	atom2ID
	Pattern-atom ID of the second atom of the bond whose order changes. More...
long	orderChange
	Signed bond-order delta applied to the matched bond (positive = increase, negative = decrease). More...

Detailed Description

Encodes a single bond-order change between two pattern atoms applied when the parent transformation pattern matches.

Member Data Documentation

atom1ID

std::size_t CDPL::Chem::PatternBasedTautomerizationRule::BondOrderChange::atom1ID

Pattern-atom ID of the first atom of the bond whose order changes.

atom2ID

std::size_t CDPL::Chem::PatternBasedTautomerizationRule::BondOrderChange::atom2ID

Pattern-atom ID of the second atom of the bond whose order changes.

orderChange

long CDPL::Chem::PatternBasedTautomerizationRule::BondOrderChange::orderChange

Signed bond-order delta applied to the matched bond (positive = increase, negative = decrease).

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

• PatternBasedTautomerizationRule.hpp