We have a cdk.validate?!? Cool! I'll make sure to include that a lot when I (eventually) get back to compound-related programming.
Do we use it a lot in the higher level calls to alert unsuspecting users to their obliviousness?

@.45 vs. Uzi:
I'd rather have people use bb-guns [wiki], less lethal, and with judicious use of for-loops a competent developer can still match an uzi for firepower with them ;-)

Apologies if I may sound like I have lost faith in humanity; last week I did a code review with a student here at our department.. He was creating and garbace-collecting 2,05 identical webservice clients to the same database for each of 42.110 entries. For bonus points, he closed and restarted the target database (from diskfile) once per entry..
I know there are many programmers of this 'competence'-level out there, and this is the reason I'm against double-bladed swords..

Cheers, and have a happy day regardless!
~Jules

On 22 May 2011 21:06, Egon Willighagen <egon.willighagen@gmail.com> wrote:
On Mon, May 9, 2011 at 11:19 AM, Jules Kerssemakers
<jules.kerssemakers@googlemail.com> wrote:
> (Though we could
> always spam the logfiles with warnings "This molecule is chemically WRONG,
> improve your input, you silly chemist", or something along those lines ;-) )

That is what cdk.validate is for... I'm finishing up a patch to clean
up this code, which I'll submit soon.

<snip>

> As an analogy: I'd rather not give users a double-bladed sword with all the
> opportunities for accidental self-stabbing, when there exist two normal,
> non-accident-prone swords too.

Hahahaha! You'd also rather give to .45's instead of an uzi, right?

Egon

--
Dr E.L. Willighagen
Postdoctoral Researcher
Institutet för miljömedicin
Karolinska Institutet (http://ki.se/imm)
Homepage: http://egonw.github.com/
LinkedIn: http://se.linkedin.com/in/egonw
Blog: http://chem-bla-ics.blogspot.com/
PubList: http://www.citeulike.org/user/egonw/tag/papers

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