CDPL.Chem.MolecularGraphMatchConstraint Class Reference

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

Inheritance diagram for CDPL.Chem.MolecularGraphMatchConstraint:

Static Public Attributes
int	CONSTRAINT_LIST = 0
	Specifies a constraint which requires the target olecular graph to fulfill additional constraints specified by a Chem.MatchConstraintList object.
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.

Member Data Documentation

COMPONENT_GROUPING

int CDPL.Chem.MolecularGraphMatchConstraint.COMPONENT_GROUPING = 1

static

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.