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Sunday, May 06, 2012

Defining nitrogen and oxygen count descriptors

In reply to a question on the CDK user mailing list, I wrote up for my CDK API book how to define custom descriptors (nitrogenCount and oxygenCount) using the parameter approach:


The Java code is a bit more complex, requiring more Java language specific code. But the key is simply to use the the setParameters() method.

2 comments:

  1. Is there a typo? oxygenCount has intValue() but not nitrogenCount. Maybe Groovy doesn't need it.

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    1. Weird indeed. But it did compile and run properly, because otherwise the PDF would not have been created :)

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