public abstract class MoleculePairProcessor extends net.idea.modbcum.p.DefaultAmbitProcessor<IStructureRecord[],IStructureRecord[]>
| Modifier and Type | Field and Description |
|---|---|
protected org.openscience.cdk.interfaces.IAtomContainer[] |
molecules |
protected MoleculeReader |
reader |
protected Property |
smartsProperty |
| Constructor and Description |
|---|
MoleculePairProcessor() |
| Modifier and Type | Method and Description |
|---|---|
IStructureRecord[] |
process(IStructureRecord[] target) |
abstract IStructureRecord[] |
process(IStructureRecord[] target,
org.openscience.cdk.interfaces.IAtomContainer[] molecules) |
protected MoleculeReader reader
protected org.openscience.cdk.interfaces.IAtomContainer[] molecules
protected Property smartsProperty
public IStructureRecord[] process(IStructureRecord[] target) throws net.idea.modbcum.i.exceptions.AmbitException
net.idea.modbcum.i.exceptions.AmbitExceptionpublic abstract IStructureRecord[] process(IStructureRecord[] target, org.openscience.cdk.interfaces.IAtomContainer[] molecules)
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