Perl 6 - the future is here, just unevenly distributed

IRC log for #cdk, 2014-01-28

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All times shown according to UTC.

Time Nick Message
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15:49 slyrus is there a convenient way to inspect a LinkedHashMap like properties?
16:17 slyrus what's the canonical way of counting, say, carbons in an AtomContainer?
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17:02 slyrus argh... screwed up my git repo again
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17:34 egonw_ hi slyrus
17:50 egonw_ on your two questions, I need some context
17:53 slyrus more later... but 1) in eclipse, is there a nice(r) way to view a properties variable than drilling down into the LinkedHashMap
17:53 slyrus and 2) the counting of particular elements code seems rather ... baroque
17:53 slyrus and yours (in the IUPAC generation) was broken. fixed in iupac-generator-2
17:54 slyrus not sure how to fix the original iupac-generator branch which i git-hosed somehow
17:54 egonw_ 1) no idea; please ask on the cdk-user mailing list... good chance someone has a suggestion
17:55 egonw_ 2) iterating over all atoms and counting elements...
17:55 egonw_ there is chemical formula support...
17:55 egonw_ but not sure that is really better
17:56 egonw CDK is better at raw functionality than fancy APIs, though John is changing that...
17:56 egonw if you have a request or proposal, please post to cdk-devel@
17:56 slyrus yuck: m.setProperty(IRule.CARBON_COUNT, new Integer(MolecularFormulaManipulator.getElementCount(formula,builder.newInstance(IElement.class,builder.newInstance(IIsotope.class,"C")))));
17:56 egonw well, I told you it was a bad hack ...
17:56 slyrus oh, I have lots of nice handy functions for doing this sort of thing on the lisp side of things :)
17:57 slyrus the more I use java and eclipse ... the more I like common lisp and emacs!
17:57 slyrus :)
17:57 slyrus but now it's off to real work
17:57 slyrus oh, naming things like "pentane" now works
17:57 egonw great!
17:57 slyrus not so yet for, say, 3-ethyl-pentane
17:58 slyrus https://github.com/slyrus/cdk/commits/iupac-generator-2
17:59 egonw you should email the cdk-devel@ list about your efforts...
17:59 egonw and let's see if others are interested too, and can help you out...
17:59 slyrus ok, tonight or tomorrow AM. thanks!
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