#426 Two small fixes for regressions in cdk-1.4.x

Needs_Review
closed
nobody
cdk-1.4.x (181)
9
2012-10-28
2011-09-30
Egon Willighagen
No

Fixing these issues:

Testcase: testSortAtomContainers_Comparator_Null(org.openscience.cdk.AtomContainerSetTest): Caused an ERROR
org/openscience/cdk/tools/manipulator/AtomContainerComparator
java.lang.NoClassDefFoundError: org/openscience/cdk/tools/manipulator/AtomContainerComparator
at org.openscience.cdk.interfaces.AbstractAtomContainerSetTest.testSortAtomContainers_Comparator_Null(AbstractAtomContainerSetTest.java:54)

Testcase: testSortAtomContainers_Comparator_Null(org.openscience.cdk.MoleculeSetTest): Caused an ERROR
Only IMolecule's can be stored in an IMoleculeSet
java.lang.IllegalArgumentException: Only IMolecule's can be stored in an IMoleculeSet
at org.openscience.cdk.MoleculeSet.addAtomContainer(MoleculeSet.java:81)
at org.openscience.cdk.interfaces.AbstractAtomContainerSetTest.testSortAtomContainers_Comparator_Null(AbstractAtomContainerSetTest.java:49)

One fix adds dependencies to the standard module to fix the first error. The second patch has the unit test create an IMolecule to fix the IllegalArgumentException. For the AtomContainerSetText (and variants) it still is an IAtomContainer too, so those tests still work fine too.

Discussion

  • Rajarshi Guha
    Rajarshi Guha
    2011-09-30

    no patch attached

     
  • Oops. Attached now.

     
  • Rajarshi Guha
    Rajarshi Guha
    2011-10-01

    Applied and pushed