#501 New ForceFieldConfigurator Test class provided

cdk-1.4.x (181)

After a long break a new Test class is added to test and debug the functionalities of the ModelBuilder3D package.
This new patch adds a Test class for the ForceFieldConfigurator class.


  • Egon Willighagen

    Oh, cool!

    I was already looking at and commenting on the other patch, before this reached my inbox :)

  • Egon Willighagen

    BTW, please use the 'Category' field to indicate if you are writing patches against master or cdk-1.4.x.

  • Egon Willighagen

    OK, comments:

    • please add a copyright header (http://chem-bla-ics.blogspot.com/2009/06/making-patches-attribution-copyright.html)
    • please add a complementary patch for ForceFieldConfigurator with @TestClass and @TestMethod annotation
    • better have @Test methods throw an exception than to catch them in the test, and have JUnit handle the stacktrace
    • there is an empty testConfigureMM2BasedAtom_IAtom_String_boolean() method
    • if there are bug reports associated with those tests, you can use @cdk.bug #### in the method's JavaDoc

    Looks like a great patch otherwise!

  • Egon Willighagen

    Daniel, is this full patch replaced by:



    If so, please close this bug. I have registered you now as CDK developer with technician and admin rights on this tracker, so that you should now be able to close things.

    Not sure if that was the reason why you had to file a new patch report, but ideally, fixes should be posted in the same tracker entry...

    Does it work for you better now? I apologize for forgetting to give people admin rights when the start serious work here... unfortunately, we had to close it down by default because of spam :(

  • Daniel Szisz

    Daniel Szisz - 2012-04-23

    This patch has been applied so track is now closed.


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