[Cdk-commits] SF.net SVN: cdk:[12331] cdk/branches/cdk-1.2.x/src/main/org/openscience/cdk /qsar/descriptors/molecular/RotatableBondsCountDescriptor.java

[<raj...@us...>]

Revision: 12331
          http://cdk.svn.sourceforge.net/cdk/?rev=12331&view=rev
Author:   rajarshi
Date:     2008-09-16 14:46:13 +0000 (Tue, 16 Sep 2008)

Log Message:
-----------
Used bond iterable rathe than iterator

Modified Paths:
--------------
    cdk/branches/cdk-1.2.x/src/main/org/openscience/cdk/qsar/descriptors/molecular/RotatableBondsCountDescriptor.java

Modified: cdk/branches/cdk-1.2.x/src/main/org/openscience/cdk/qsar/descriptors/molecular/RotatableBondsCountDescriptor.java
===================================================================
--- cdk/branches/cdk-1.2.x/src/main/org/openscience/cdk/qsar/descriptors/molecular/RotatableBondsCountDescriptor.java	2008-09-16 01:50:36 UTC (rev 12330)
+++ cdk/branches/cdk-1.2.x/src/main/org/openscience/cdk/qsar/descriptors/molecular/RotatableBondsCountDescriptor.java	2008-09-16 14:46:13 UTC (rev 12331)
@@ -40,8 +40,6 @@
 import org.openscience.cdk.qsar.result.IntegerResult;
 import org.openscience.cdk.tools.manipulator.BondManipulator;
 
-import java.util.Iterator;
-
 /**
  *  The number of rotatable bonds is given by the SMARTS specified by Daylight on
  *  <a href="http://www.daylight.com/dayhtml_tutorials/languages/smarts/smarts_examples.html#EXMPL">SMARTS tutorial</a><p>
@@ -142,7 +140,6 @@
 	 */
 	public DescriptorValue calculate(IAtomContainer ac) {
 		int rotatableBondsCount = 0;
-		Iterator<IBond> bonds = ac.bonds().iterator();
 		int degree0;
 		int degree1;
         IRingSet ringSet;
@@ -152,15 +149,12 @@
             return new DescriptorValue(getSpecification(), getParameterNames(), getParameters(),
                 new IntegerResult((int) Double.NaN), getDescriptorNames(), e);
         }
-        while (bonds.hasNext()) {
-			IBond bond = (IBond)bonds.next();
+        for (IBond bond : ac.bonds()) {
 			if (ringSet.getRings(bond).getAtomContainerCount() > 0) {
 				bond.setFlag(CDKConstants.ISINRING, true);
 			}
 		}
-		bonds = ac.bonds().iterator();
-		while (bonds.hasNext()) {
-			IBond bond = (IBond)bonds.next();
+		for (IBond bond : ac.bonds()) {
 			IAtom atom0 = bond.getAtom(0);
 			IAtom atom1 = bond.getAtom(1);
 			if (bond.getOrder() == CDKConstants.BONDORDER_SINGLE) {


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