Uses of Package
org.openscience.cdk.isomorphism
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Classes in org.openscience.cdk.isomorphism used by org.openscience.cdk.isomorphism Class Description AtomMatcher Defines compatibility checking of atoms for (subgraph)-isomorphism mapping.BondMatcher Defines compatibility checking of bonds for (subgraph)-isomorphism mapping.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).Mappings A fluent interface for handling (sub)-graph mappings from a query to a target structure.Pattern A structural pattern for finding an exact matching in a target compound.Transform.Mode TransformOp A transform operation (TransformOp) describes a change to be made to some mapped set of indexed atoms (0 ≤ idx < N).TransformOp.Type -
Classes in org.openscience.cdk.isomorphism used by org.openscience.cdk.layout Class Description Pattern A structural pattern for finding an exact matching in a target compound. -
Classes in org.openscience.cdk.isomorphism used by org.openscience.cdk.smarts Class Description Mappings A fluent interface for handling (sub)-graph mappings from a query to a target structure.Pattern A structural pattern for finding an exact matching in a target compound. -
Classes in org.openscience.cdk.isomorphism used by org.openscience.cdk.smiles.smarts Class Description Mappings A fluent interface for handling (sub)-graph mappings from a query to a target structure.Pattern A structural pattern for finding an exact matching in a target compound. -
Classes in org.openscience.cdk.isomorphism used by org.openscience.cdk.smirks Class Description Transform Transform a molecule using a query pattern and a sequence ofTransformOps.Transform.Mode