Deprecated API

Contents

• Deprecated Classes
• Deprecated Methods

Deprecated Classes

org.openscience.cdk.qsar.model.R.CNNClassificationModel

org.openscience.cdk.qsar.model.R.CNNClassificationModelFit

org.openscience.cdk.qsar.model.R.CNNClassificationModelPredict

org.openscience.cdk.qsar.model.R.CNNRegressionModel

org.openscience.cdk.qsar.model.R.CNNRegressionModelFit

org.openscience.cdk.qsar.model.R.CNNRegressionModelPredict

org.openscience.cdk.qsar.model.R.CNNRegressionModelSummary

org.openscience.cdk.ringsearch.FiguerasSSSRFinder
Use SSSRFinder instead (exact algorithm).

org.openscience.cdk.qsar.model.R.LinearRegressionModel

org.openscience.cdk.qsar.model.R.LinearRegressionModelFit

org.openscience.cdk.qsar.model.R.LinearRegressionModelPredict

org.openscience.cdk.qsar.model.R.LinearRegressionModelSummary

org.openscience.cdk.qsar.model.R.PLSRegressionModel

org.openscience.cdk.qsar.model.R.PLSRegressionModelPredict

org.openscience.cdk.qsar.model.R.RModel

Deprecated Methods

org.openscience.cdk.AtomContainer.getBondOrderSum(IAtom)
Replaced by AtomContainerManipulator#getBondOrderSum(IAtomContainer, IAtom)

org.openscience.cdk.iupac.parser.SimpleCharStream.getColumn()

org.openscience.cdk.smiles.smarts.parser.SimpleCharStream.getColumn()

org.openscience.cdk.iupac.parser.SimpleCharStream.getLine()

org.openscience.cdk.smiles.smarts.parser.SimpleCharStream.getLine()

org.openscience.cdk.formula.AdductFormula.setCharge(Integer)