public class CanonSmiAdapter
extends java.lang.Object
Modifier and Type | Method and Description |
---|---|
static long[] |
betterInvariants(org.openscience.cdk.interfaces.IAtomContainer container,
int[][] graph,
org.openscience.cdk.graph.GraphUtil.EdgeToBondMap bonds) |
static java.lang.String |
create(org.openscience.cdk.interfaces.IAtomContainer ac) |
public static java.lang.String create(org.openscience.cdk.interfaces.IAtomContainer ac) throws org.openscience.cdk.exception.CDKException, java.io.IOException
ac
- org.openscience.cdk.exception.CDKException
java.io.IOException
public static long[] betterInvariants(org.openscience.cdk.interfaces.IAtomContainer container, int[][] graph, org.openscience.cdk.graph.GraphUtil.EdgeToBondMap bonds)
container
- graph
- bonds
-