public class CDKManager extends java.lang.Object implements DescriptorManager<org.openscience.cdk.interfaces.IAtom>
Constructor and Description |
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CDKManager(org.openscience.cdk.interfaces.IAtomContainer container) |
Modifier and Type | Method and Description |
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void |
clear() |
MutableDescriptor |
getDescriptor(org.openscience.cdk.interfaces.IAtom atom) |
MutableDescriptor |
getDescriptor(org.openscience.cdk.interfaces.IAtom first,
org.openscience.cdk.interfaces.IAtom second) |
public CDKManager(org.openscience.cdk.interfaces.IAtomContainer container)
container
- public MutableDescriptor getDescriptor(org.openscience.cdk.interfaces.IAtom atom)
getDescriptor
in interface DescriptorManager<org.openscience.cdk.interfaces.IAtom>
atom
- public MutableDescriptor getDescriptor(org.openscience.cdk.interfaces.IAtom first, org.openscience.cdk.interfaces.IAtom second)
getDescriptor
in interface DescriptorManager<org.openscience.cdk.interfaces.IAtom>
first
- second
- public void clear()
clear
in interface DescriptorManager<org.openscience.cdk.interfaces.IAtom>