[Cdk-commits] SF.net SVN: cdk:[13025] cdk/branches/cdk-1.2.x/src/main/org/openscience/cdk /qsar/descriptors/molecular/MDEDescriptor.java

[<eg...@us...>]

Revision: 13025
          http://cdk.svn.sourceforge.net/cdk/?rev=13025&view=rev
Author:   egonw
Date:     2008-11-06 16:26:58 +0000 (Thu, 06 Nov 2008)

Log Message:
-----------
Fixed a NPE: updated for Element.atomicNumber defaulting to UNSET

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

Modified: cdk/branches/cdk-1.2.x/src/main/org/openscience/cdk/qsar/descriptors/molecular/MDEDescriptor.java
===================================================================
--- cdk/branches/cdk-1.2.x/src/main/org/openscience/cdk/qsar/descriptors/molecular/MDEDescriptor.java	2008-11-06 15:57:35 UTC (rev 13024)
+++ cdk/branches/cdk-1.2.x/src/main/org/openscience/cdk/qsar/descriptors/molecular/MDEDescriptor.java	2008-11-06 16:26:58 UTC (rev 13025)
@@ -19,6 +19,7 @@
 */
 package org.openscience.cdk.qsar.descriptors.molecular;
 
+import org.openscience.cdk.CDKConstants;
 import org.openscience.cdk.annotations.TestClass;
 import org.openscience.cdk.annotations.TestMethod;
 import org.openscience.cdk.exception.CDKException;
@@ -336,7 +337,8 @@
             IAtom atom = atomContainer.getAtom(i);
             int numConnectedBonds = atomContainer.getConnectedBondsCount(atom);
             atypes[i][1] = i;
-            if (atom.getAtomicNumber() == atomicNum) atypes[i][0] = numConnectedBonds;
+            if (atomicNum == (atom.getAtomicNumber() == null ? 0 : atom.getAtomicNumber()))
+                atypes[i][0] = numConnectedBonds;
             else
                 atypes[i][0] = -1;
         }


This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site.