Uses of Class
org.openscience.cdk.isomorphism.Pattern
Packages that use Pattern
Package
Description
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Uses of Pattern in org.openscience.cdk.isomorphism
Subclasses of Pattern in org.openscience.cdk.isomorphismModifier and TypeClassDescriptionclass
The depth-first (DF) backtracking sub-structure matching algorithm so named because it matches the molecule in a depth-first manner (bond by bond).final class
A structure pattern which utilises the Ullmann algorithm [Ullmann J R. Journal of the Association for Computing Machinery. 1976. 23].final class
A structure pattern which utilises the Vento-Foggia (VF) algorithm [Cordella Luigi P et. al.. IEEE TRANSACTIONS ON PATTERN ANALYSIS AND MACHINE INTELLIGENCE. 2004. 26].Methods in org.openscience.cdk.isomorphism that return PatternModifier and TypeMethodDescriptionstatic Pattern
Pattern.findIdentical
(IAtomContainer query) Create a pattern which can be used to find molecules which are the same as thequery
structure.static Pattern
VentoFoggia.findIdentical
(IAtomContainer query) Create a pattern which can be used to find molecules which are the same as thequery
structure.static Pattern
VentoFoggia.findIdentical
(IAtomContainer query, AtomMatcher atomMatcher, BondMatcher bondMatcher) Create a pattern which can be used to find molecules which are the same as thequery
structure.static Pattern
Pattern.findSubstructure
(IAtomContainer query) Create a pattern which can be used to find molecules which contain thequery
structure.static Pattern
Ullmann.findSubstructure
(IAtomContainer query) Create a pattern which can be used to find molecules which contain thequery
structure.static Pattern
VentoFoggia.findSubstructure
(IAtomContainer query) Create a pattern which can be used to find molecules which contain thequery
structure.static Pattern
VentoFoggia.findSubstructure
(IAtomContainer query, AtomMatcher atomMatcher, BondMatcher bondMatcher) Create a pattern which can be used to find molecules which contain thequery
structure. -
Uses of Pattern in org.openscience.cdk.layout
Methods in org.openscience.cdk.layout with parameters of type PatternModifier and TypeMethodDescriptionstatic TemplateHandler
TemplateHandler.createFromSubstructure
(Pattern ptrn, Iterable<IAtomContainer> mols) Create a template from a substructure pattern.static TemplateHandler
TemplateHandler.createFromSubstructure
(Pattern ptrn, IAtomContainer mol) Create a template from a substructure pattern. -
Uses of Pattern in org.openscience.cdk.smarts
Subclasses of Pattern in org.openscience.cdk.smartsModifier and TypeClassDescriptionfinal class
APattern
for matching a single SMARTS query against multiple target compounds. -
Uses of Pattern in org.openscience.cdk.smiles.smarts
Subclasses of Pattern in org.openscience.cdk.smiles.smarts