@Deprecated public class CanonicalLabeler extends Object
|Constructor and Description|
|Modifier and Type||Method and Description|
Canonically label the fragment.
public void canonLabel(IAtomContainer atomContainer)
The Collections.sort() method uses a merge sort which is stable and runs in n log(n).
It is assumed that a chemically valid AtomContainer is provided: this method does not check the correctness of the AtomContainer. Negative H counts will cause a NumberFormatException to be thrown.
atomContainer- The molecule to label
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