From: <raj...@us...> - 2008-06-05 19:21:42
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Revision: 11281 http://cdk.svn.sourceforge.net/cdk/?rev=11281&view=rev Author: rajarshi Date: 2008-06-05 12:21:40 -0700 (Thu, 05 Jun 2008) Log Message: ----------- Added a unit test for the LoB descriptor Modified Paths: -------------- cdk/trunk/src/test/org/openscience/cdk/qsar/descriptors/molecular/LengthOverBreadthDescriptorTest.java Modified: cdk/trunk/src/test/org/openscience/cdk/qsar/descriptors/molecular/LengthOverBreadthDescriptorTest.java =================================================================== --- cdk/trunk/src/test/org/openscience/cdk/qsar/descriptors/molecular/LengthOverBreadthDescriptorTest.java 2008-06-04 22:04:08 UTC (rev 11280) +++ cdk/trunk/src/test/org/openscience/cdk/qsar/descriptors/molecular/LengthOverBreadthDescriptorTest.java 2008-06-05 19:21:40 UTC (rev 11281) @@ -8,6 +8,7 @@ import org.openscience.cdk.io.ISimpleChemObjectReader; import org.openscience.cdk.io.MDLV2000Reader; import org.openscience.cdk.qsar.result.DoubleArrayResult; +import org.openscience.cdk.tools.manipulator.AtomContainerManipulator; import org.openscience.cdk.tools.manipulator.ChemFileManipulator; import java.io.InputStream; @@ -98,8 +99,11 @@ ChemFile content = (ChemFile) reader.read(new ChemFile()); List cList = ChemFileManipulator.getAllAtomContainers(content); IAtomContainer ac = (IAtomContainer) cList.get(0); + AtomContainerManipulator.percieveAtomTypesAndConfigureAtoms(ac); + DoubleArrayResult result = (DoubleArrayResult) descriptor.calculate(ac).getValue(); + Assert.assertNotNull(result); } } This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site. |