Fixed dependency on specific molecule impl, so now we use IAtomContai…

…ner rather than Molecule Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
cdk · Jun 7, 2011 · fbdb989 · fbdb989
1 parent ad04b69
commit fbdb989
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Showing 2 changed files with 4 additions and 6 deletions.
diff --git a/...g/openscience/cdk/qsar/descriptors/molecular/AutocorrelationDescriptorPolarizability.java b/...g/openscience/cdk/qsar/descriptors/molecular/AutocorrelationDescriptorPolarizability.java
@@ -21,7 +21,6 @@
 
 package org.openscience.cdk.qsar.descriptors.molecular;
 
-import org.openscience.cdk.Molecule;
 import org.openscience.cdk.annotations.TestClass;
 import org.openscience.cdk.annotations.TestMethod;
 import org.openscience.cdk.aromaticity.CDKHueckelAromaticityDetector;
@@ -83,9 +82,9 @@ private static double[] listpolarizability(IAtomContainer container, int[][] dma
      */
     @TestMethod("testCalculate_IAtomContainer")
     public DescriptorValue calculate(IAtomContainer container) {
-        Molecule molecule;
+        IAtomContainer molecule;
         try {
-            molecule = (Molecule) container.clone();
+            molecule = (IAtomContainer) container.clone();
         } catch (CloneNotSupportedException e) {
             return getDummyDescriptorValue(new CDKException("Error occured during clone " + e));
         }

diff --git a/src/main/org/openscience/cdk/qsar/descriptors/molecular/WHIMDescriptor.java b/src/main/org/openscience/cdk/qsar/descriptors/molecular/WHIMDescriptor.java
@@ -28,7 +28,6 @@
 
 import javax.vecmath.Point3d;
 
-import org.openscience.cdk.Molecule;
 import org.openscience.cdk.annotations.TestClass;
 import org.openscience.cdk.annotations.TestMethod;
 import org.openscience.cdk.exception.CDKException;
@@ -336,10 +335,10 @@ public DescriptorValue calculate(IAtomContainer container) {
             return getDummyDescriptorValue(new CDKException("Molecule must have 3D coordinates"));
 
         double sum = 0.0;
-        Molecule ac;
+        IAtomContainer ac;
 
         try {
-            ac = (Molecule) container.clone();
+            ac = (IAtomContainer) container.clone();
         } catch (CloneNotSupportedException e) {
             return getDummyDescriptorValue(e);
         }