Uses of Class
org.openscience.cdk.tools.scaffold.ScaffoldTree
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Uses of ScaffoldTree in org.openscience.cdk.tools.scaffold
Methods in org.openscience.cdk.tools.scaffold that return ScaffoldTreeModifier and TypeMethodDescriptionScaffoldGenerator.generateSchuffenhauerTree
(org.openscience.cdk.interfaces.IAtomContainer aMolecule) Iteratively removes the rings of the molecule according to specific rules that are queried hierarchically.Methods in org.openscience.cdk.tools.scaffold that return types with arguments of type ScaffoldTreeModifier and TypeMethodDescriptionScaffoldGenerator.generateSchuffenhauerForest
(List<org.openscience.cdk.interfaces.IAtomContainer> aMoleculeList) Decomposes the entered molecules into Scaffolds, creates ScaffoldTrees from them and then assembles these trees if possible.Methods in org.openscience.cdk.tools.scaffold with parameters of type ScaffoldTreeModifier and TypeMethodDescriptionboolean
ScaffoldTree.mergeTree
(ScaffoldTree aScaffoldTree) Adds another ScaffoldTree to the existing one if possible.