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Fix to use interfaces as argument instead of classes
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Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
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vedina authored and egonw committed Nov 1, 2011
1 parent 46ccc71 commit 5e828f5
Showing 1 changed file with 5 additions and 4 deletions.
Expand Up @@ -24,12 +24,13 @@
*/
package org.openscience.cdk.graph.invariant;

import org.openscience.cdk.AtomContainer;

import org.openscience.cdk.CDKConstants;
import org.openscience.cdk.exception.NoSuchAtomException;
import org.openscience.cdk.graph.PathTools;
import org.openscience.cdk.graph.matrix.ConnectionMatrix;
import org.openscience.cdk.interfaces.IAtom;
import org.openscience.cdk.interfaces.IAtomContainer;
import org.openscience.cdk.interfaces.IBond;
import org.openscience.cdk.tools.ILoggingTool;
import org.openscience.cdk.tools.LoggingToolFactory;
Expand Down Expand Up @@ -67,7 +68,7 @@ public EquivalentClassPartitioner(){}
/**
* Constructor for the TopologicalEquivalentClass object
*/
public EquivalentClassPartitioner(AtomContainer atomContainer)
public EquivalentClassPartitioner(IAtomContainer atomContainer)
{
adjaMatrix = ConnectionMatrix.getMatrix(atomContainer);
apspMatrix = PathTools.computeFloydAPSP(adjaMatrix);
Expand All @@ -88,7 +89,7 @@ public EquivalentClassPartitioner(AtomContainer atomContainer)
* @param atomContainer atoms and bonds of the molecule
* @return an array contains the automorphism partition of the molecule
*/
public int[] getTopoEquivClassbyHuXu(AtomContainer atomContainer) throws NoSuchAtomException
public int[] getTopoEquivClassbyHuXu(IAtomContainer atomContainer) throws NoSuchAtomException
{
double nodeSequence[]=prepareNode(atomContainer);
nodeMatrix=buildNodeMatrix(nodeSequence);
Expand All @@ -106,7 +107,7 @@ public int[] getTopoEquivClassbyHuXu(AtomContainer atomContainer) throws NoSuchA
* @param atomContainer atoms and bonds of the molecule
* @return an array of node identifier
*/
public double[] prepareNode(AtomContainer atomContainer)
public double[] prepareNode(IAtomContainer atomContainer)
{
java.util.Iterator atoms=atomContainer.atoms().iterator();
double nodeSequence[]=new double[atomContainer.getAtomCount()];
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