From: Rajarshi G. <rg...@in...> - 2009-03-12 20:02:21
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Hi, I've shifted to Git and have been updating the pharmcophore code a bit. The primary change is to create a subclass of QueryAtomContainer called PharmacophoreQuery that will allow us ot consider things such as excluded volumes. The previous form of the code did not allow us to do this. While it does add a new class, code that uses the pharmacophore classes only needs to be updated by changing QueryAtomContainer (or IQueryAtomContainer) to PharmacophoreQuery. Everything else should stay the same. Other changes also include updating to JDK 1.5 idioms and addition of tests and annotations. This branch is based of the SF master, so I request a review and subsequent merge into master. You can pull these updates from me by doing git pull git://rguha.ath.cx/cdk pcore ------------------------------------------------------------------- Rajarshi Guha <rg...@in...> GPG Fingerprint: D070 5427 CC5B 7938 929C DD13 66A1 922C 51E7 9E84 ------------------------------------------------------------------- Q: What's polite and works for the phone company? A: A deferential operator. |