Uses of Class
org.openscience.cdk.isomorphism.Pattern
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Packages that use Pattern Package Description org.openscience.cdk.isomorphism org.openscience.cdk.layout org.openscience.cdk.smarts org.openscience.cdk.smiles.smarts -
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Uses of Pattern in org.openscience.cdk.isomorphism
Subclasses of Pattern in org.openscience.cdk.isomorphism Modifier and Type Class Description class
DfPattern
The depth-first (DF) backtracking sub-structure matching algorithm so named because it matches the molecule in a depth-first manner (bond by bond).class
Ullmann
A structure pattern which utilises the Ullmann algorithm [Ullmann J R. Journal of the Association for Computing Machinery. 1976. 23].class
VentoFoggia
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 Pattern Modifier and Type Method Description static 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 Pattern Modifier and Type Method Description static 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.smarts Modifier and Type Class Description class
SmartsPattern
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 Modifier and Type Class Description class
SmartsPattern
Deprecated.
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