From 545eda2460665b2aefc971a16bf6eb8f15f8bc47 Mon Sep 17 00:00:00 2001
From: mark_rynbeek <markr@ebi.ac.uk>
Date: Wed, 14 Oct 2009 14:44:28 +0000
Subject: [PATCH] Sorting of containers in a AtomContainerSet

Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
---
 src/main/org/openscience/cdk/AtomContainerSet.java    | 11 +++++++++++
 .../openscience/cdk/interfaces/IAtomContainerSet.java |  7 +++++++
 2 files changed, 18 insertions(+)

diff --git a/src/main/org/openscience/cdk/AtomContainerSet.java b/src/main/org/openscience/cdk/AtomContainerSet.java
index 37554fdcb89..2c0a0a4ffee 100644
--- a/src/main/org/openscience/cdk/AtomContainerSet.java
+++ b/src/main/org/openscience/cdk/AtomContainerSet.java
@@ -26,6 +26,8 @@
 import org.openscience.cdk.interfaces.IChemObjectListener;
 
 import java.io.Serializable;
+import java.util.Arrays;
+import java.util.Comparator;
 import java.util.Iterator;
 
 /**
@@ -382,5 +384,14 @@ public void stateChanged(IChemObjectChangeEvent event) {
 		notifyChanged(event);
 	}
 
+
+        /**
+         * Sort the AtomContainers using a provided Comparator
+         * @param comparator defines the sorting method
+         */
+        public void sortAtomContainers(Comparator<IAtomContainer> comparator) {
+            Arrays.sort(atomContainers, comparator);
+        }
+
 }
 
diff --git a/src/main/org/openscience/cdk/interfaces/IAtomContainerSet.java b/src/main/org/openscience/cdk/interfaces/IAtomContainerSet.java
index 74dae393544..b244fd09c25 100644
--- a/src/main/org/openscience/cdk/interfaces/IAtomContainerSet.java
+++ b/src/main/org/openscience/cdk/interfaces/IAtomContainerSet.java
@@ -24,6 +24,8 @@
  */
 package org.openscience.cdk.interfaces;
 
+import java.util.Comparator;
+
 /**
  * A set of AtomContainers.
  *
@@ -164,5 +166,10 @@ public interface IAtomContainerSet extends IChemObject {
 	 */
 	public int getAtomContainerCount();
 
+        /**
+         * Sort the AtomContainers using a provided Comparator
+         * @param comparator defines the sorting method
+         */
+        public void sortAtomContainers( Comparator<IAtomContainer> comparator);
 }