From: <eg...@us...> - 2006-11-30 22:46:20
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Revision: 7400 http://svn.sourceforge.net/cdk/?rev=7400&view=rev Author: egonw Date: 2006-11-30 14:46:14 -0800 (Thu, 30 Nov 2006) Log Message: ----------- No need to construct the descriptor more than once. Modified Paths: -------------- trunk/cdk/src/org/openscience/cdk/test/qsar/descriptors/molecular/ValenceCarbonConnectivityOrderOneDescriptorTest.java Modified: trunk/cdk/src/org/openscience/cdk/test/qsar/descriptors/molecular/ValenceCarbonConnectivityOrderOneDescriptorTest.java =================================================================== --- trunk/cdk/src/org/openscience/cdk/test/qsar/descriptors/molecular/ValenceCarbonConnectivityOrderOneDescriptorTest.java 2006-11-30 22:45:00 UTC (rev 7399) +++ trunk/cdk/src/org/openscience/cdk/test/qsar/descriptors/molecular/ValenceCarbonConnectivityOrderOneDescriptorTest.java 2006-11-30 22:46:14 UTC (rev 7400) @@ -72,12 +72,10 @@ assertNotNull(retval); mol = sp.parseSmiles("[Mn]12(-O-C(-C(-O-2)=O)=O)(-O-C(-C(-O-1)=O)=O)(-O)-O"); - descriptor = new ValenceCarbonConnectivityOrderOneDescriptor(); retval = (DoubleResult) descriptor.calculate(mol).getValue(); assertNotNull(retval); mol = sp.parseSmiles("[Co]12(-O-C(-C(-O-2)=O)=O)(-O-C(-C(-O-1)=O)=O)(-O)-O"); - descriptor = new ValenceCarbonConnectivityOrderOneDescriptor(); retval = (DoubleResult) descriptor.calculate(mol).getValue(); assertNotNull(retval); } This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site. |