Uses of Class
org.openscience.cdk.isomorphism.matchers.QueryAtomContainer
Packages that use QueryAtomContainer
Package
Description
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Uses of QueryAtomContainer in org.openscience.cdk.isomorphism.matchers
Methods in org.openscience.cdk.isomorphism.matchers that return QueryAtomContainerModifier and TypeMethodDescriptionstatic QueryAtomContainer
QueryAtomContainer.create
(IAtomContainer src, Expr.Type... opts) Create a query from a molecule and a provided set of expressions.static QueryAtomContainer
QueryAtomContainerCreator.createAnyAtomAnyBondContainer
(IAtomContainer container, boolean aromaticity) Creates a QueryAtomContainer with the following settings:static QueryAtomContainer
QueryAtomContainerCreator.createAnyAtomContainer
(IAtomContainer container, boolean aromaticity) Creates a QueryAtomContainer with the following settings:static QueryAtomContainer
QueryAtomContainerCreator.createAnyAtomForPseudoAtomQueryContainer
(IAtomContainer container) Creates a QueryAtomContainer with the following settings:static QueryAtomContainer
QueryAtomContainerCreator.createBasicQueryContainer
(IAtomContainer container) Creates a QueryAtomContainer with the following settings:static QueryAtomContainer
QueryAtomContainerCreator.createSymbolAndBondOrderQueryContainer
(IAtomContainer container) Creates a QueryAtomContainer with the following settings:static QueryAtomContainer
QueryAtomContainerCreator.createSymbolAndChargeQueryContainer
(IAtomContainer container) Creates a QueryAtomContainer with the following settings:static QueryAtomContainer
QueryAtomContainerCreator.createSymbolChargeIDQueryContainer
(IAtomContainer container) -
Uses of QueryAtomContainer in org.openscience.cdk.pharmacophore
Subclasses of QueryAtomContainer in org.openscience.cdk.pharmacophoreModifier and TypeClassDescriptionclass
Represents a colleciton of pharmacophore groups and constraints. -
Uses of QueryAtomContainer in org.openscience.cdk.smiles.smarts.parser
Methods in org.openscience.cdk.smiles.smarts.parser that return QueryAtomContainerModifier and TypeMethodDescriptionstatic QueryAtomContainer
SMARTSParser.parse
(String smarts, IChemObjectBuilder builder) This method parses a Smarts String and returns an instance ofQueryAtomContainer