[Kalzium] Kalzium ported to Avogadro 0.6.1

Marcus D. Hanwell marcus at cryos.org
Sun Apr 6 05:17:57 CEST 2008


Hi,

Just to let you know that I have ported Kalzium to the Avogadro 0.6.1 tag with 
a few modifications. It has uncovered a couple of bugs and I will patch our 
tree. The things that aren't working I will be able to fix pretty quickly I 
think. If you can't wait feel free but otherwise I will fix it in the very 
short term.

I will also be exposing more functionality. I am still considering the options 
on what to expose and what not to expose. Should we expose some basic 
molecular editing functionality? I think certainly the extra engines and I 
will get that in very soon. There is also the auto rotation that I thought 
would be great to expose.

I have been very careful not to add/remove anything from the API of the 
snapshot and intend to keep it this way so that we can just drop the Avogadro 
library in as a replacement for KDE 4.2 as I think the KDE 4.1 timeline is a 
little too close for us to commit to a totally stable API. I really don't 
think we are far.

I will probably do some experiments tomorrow with the GUI to check out how I 
can expose more features. We will certainly have basic biomolecule support, 
surfaces and orbitals (still limited to cube files right now) along with lots 
of other display types.

Time for sleep but I would appreciate feedback. Hopefully it compiles OK for 
everyone and works properly. It does here on my Gentoo desktop with recent 
KDE trunk and GCC 4.2.3.

Thanks,

Marcus


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