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#1162 regression in the MolecularFormulaManipulatorTest

cdk-1.4.x
closed
nobody
None
9
2012-11-03
2011-07-02
Egon Willighagen
No

Testcase: testGenerateOrderEle(org.openscience.cdk.tools.manipulator.MolecularFormulaManipulatorTest): FAILED
expected:<96> but was:<113>
junit.framework.AssertionFailedError: expected:<96> but was:<113>
at org.openscience.cdk.tools.manipulator.MolecularFormulaManipulatorTest.testGenerateOrderEle(MolecularFormulaManipulatorTest.java:975)

Discussion

  • Pushing a fix for this: just test of all elements in the existing list are part of the new list, rather than an exact match, which was bad anyway.