From: Matteo F. <mf...@us...> - 2004-11-26 16:22:25
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Update of /cvsroot/cdk/cdk/src/org/openscience/cdk/test/qsar In directory sc8-pr-cvs1.sourceforge.net:/tmp/cvs-serv20038/src/org/openscience/cdk/test/qsar Modified Files: SigmaElectronegativityDescriptorTest.java Log Message: commit the SigmaElectronegativity test file with corrected expected value Index: SigmaElectronegativityDescriptorTest.java =================================================================== RCS file: /cvsroot/cdk/cdk/src/org/openscience/cdk/test/qsar/SigmaElectronegativityDescriptorTest.java,v retrieving revision 1.3 retrieving revision 1.4 diff -u -r1.3 -r1.4 --- SigmaElectronegativityDescriptorTest.java 26 Nov 2004 16:19:10 -0000 1.3 +++ SigmaElectronegativityDescriptorTest.java 26 Nov 2004 16:21:57 -0000 1.4 @@ -49,7 +49,7 @@ Molecule mol = sp.parseSmiles("CF"); HydrogenAdder hAdder = new HydrogenAdder(); hAdder.addExplicitHydrogensToSatisfyValency(mol); - assertEquals(18.72, ((Double)descriptor.calculate(mol)).doubleValue(), 0.1); + assertEquals(8.72, ((Double)descriptor.calculate(mol)).doubleValue(), 0.1); } } |