[Cdk-commits] SF.net SVN: cdk: [8821] trunk/cdk/src/org/openscience/cdk/qsar/descriptors/ atompair/PiContactDetectionDescriptor.java

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

Revision: 8821
          http://cdk.svn.sourceforge.net/cdk/?rev=8821&view=rev
Author:   rajarshi
Date:     2007-09-01 12:56:02 -0700 (Sat, 01 Sep 2007)

Log Message:
-----------
Added code to properly work on a local copy

Modified Paths:
--------------
    trunk/cdk/src/org/openscience/cdk/qsar/descriptors/atompair/PiContactDetectionDescriptor.java

Modified: trunk/cdk/src/org/openscience/cdk/qsar/descriptors/atompair/PiContactDetectionDescriptor.java
===================================================================
--- trunk/cdk/src/org/openscience/cdk/qsar/descriptors/atompair/PiContactDetectionDescriptor.java	2007-09-01 19:53:42 UTC (rev 8820)
+++ trunk/cdk/src/org/openscience/cdk/qsar/descriptors/atompair/PiContactDetectionDescriptor.java	2007-09-01 19:56:02 UTC (rev 8821)
@@ -126,11 +126,18 @@
     /**
      * The method returns if two atoms have pi-contact.
      *
-     * @param  ac                AtomContainer
+     * @param  atomContainer                AtomContainer
      * @return                   true if the atoms have pi-contact
      * @exception  CDKException  Possible Exceptions
      */
-    public DescriptorValue calculate(IAtom first, IAtom second, IAtomContainer ac) throws CDKException {
+    public DescriptorValue calculate(IAtom first, IAtom second, IAtomContainer atomContainer) throws CDKException {
+        IAtomContainer ac;
+        try {
+            ac = (IAtomContainer) atomContainer.clone();
+        } catch (CloneNotSupportedException e) {
+            throw new CDKException("Error during clone");
+        }
+
         Molecule mol = new Molecule(ac);
         if (checkAromaticity) {
             HueckelAromaticityDetector.detectAromaticity(mol);


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