Uses of Class
org.openscience.cdk.smiles.SmilesGenerator
Packages that use SmilesGenerator
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Uses of SmilesGenerator in org.openscience.cdk.fragment
Constructors in org.openscience.cdk.fragment with parameters of type SmilesGeneratorModifierConstructorDescriptionExhaustiveFragmenter(SmilesGenerator smilesGenerator, int minFragSize, ExhaustiveFragmenter.Saturation saturationSetting, int inclusiveMaxTreeDepth, boolean preserveStereo) Constructs an ExhaustiveFragmenter with a user-providedSmilesGeneratorand user defined: minimum fragment size inclusive max tree depth saturation setting preservation of stereochemistry information -
Uses of SmilesGenerator in org.openscience.cdk.smiles
Methods in org.openscience.cdk.smiles that return SmilesGeneratorModifier and TypeMethodDescriptionstatic SmilesGeneratorSmilesGenerator.absolute()Create a absolute SMILES generator.SmilesGenerator.aromatic()Deprecated.static SmilesGeneratorSmilesGenerator.generic()Create a generator for generic SMILES.static SmilesGeneratorSmilesGenerator.isomeric()Convenience method for creating an isomeric generator.static SmilesGeneratorSmilesGenerator.unique()Create a unique SMILES generator.SmilesGenerator.withAtomClasses()Deprecated.configure withSmiFlavor
SmiFlavor