public class EBIMolSplitter
extends java.lang.Object
Modifier and Type | Method and Description |
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static boolean |
isConnected(org.openscience.cdk.interfaces.IAtomContainer atomContainer)
Check whether a set of atoms in an atomcontainer is connected
|
static org.openscience.cdk.interfaces.IAtomContainerSet |
splitMolecules(org.openscience.cdk.interfaces.IAtomContainer atomContainer)
Partitions the atoms in an GraphAtomContainer into covalently connected components.
|
public static boolean isConnected(org.openscience.cdk.interfaces.IAtomContainer atomContainer)
atomContainer
- The GraphAtomContainer to be check for connectednesspublic static org.openscience.cdk.interfaces.IAtomContainerSet splitMolecules(org.openscience.cdk.interfaces.IAtomContainer atomContainer)
atomContainer
- The GraphAtomContainer to be partitioned into connected components, i.e. molecules