CDPL::Chem::MolecularGraphMatchConstraint Namespace Reference

Provides numerical identifiers for built-in Chem::MolecularGraph matching constraints. More...

Variables
constexpr unsigned int	CONSTRAINT_LIST = 0
	Specifies a constraint which requires the target olecular graph to fulfill additional constraints specified by a Chem::MatchConstraintList object. More...
constexpr unsigned int	COMPONENT_GROUPING = 1
	Specifies a constraint which requires the target molecular graph to match any component level groupings defined by the query. More...

Detailed Description

Provides numerical identifiers for built-in Chem::MolecularGraph matching constraints.

Variable Documentation

CONSTRAINT_LIST

constexpr unsigned int CDPL::Chem::MolecularGraphMatchConstraint::CONSTRAINT_LIST = 0

constexpr

Specifies a constraint which requires the target olecular graph to fulfill additional constraints specified by a Chem::MatchConstraintList object.

COMPONENT_GROUPING

constexpr unsigned int CDPL::Chem::MolecularGraphMatchConstraint::COMPONENT_GROUPING = 1

constexpr

Specifies a constraint which requires the target molecular graph to match any component level groupings defined by the query.

Component level groupings specify whether the components of a query molecular graph have to be matched by a single target molecular graph component or by different components of the target. Daylight SMARTS patterns [SMARTS] allow to specify component groupings by parentheses that enclose those components of the query which have to be part of the same target molecular graph component.