[Kalzium] Kalzium atom labels

Benoît Jacob jacob at math.jussieu.fr
Tue May 22 09:49:22 CEST 2007


On Tuesday 22 May 2007 02:28:30 Marcus D. Hanwell wrote:
> If we had to declare the slots in the engine API that would
> require narrowing what was available.

Bingo, you just made me understand what the problem is: In order to be part of 
the public API, an engine slot must be declared as a virtual method in the 
Engine base class. Therefore, the list of all possible public slots an engine 
can have is pre-determined in the Engine base class, it's not extensible. 
That's what I hadn't understood.

Well, I really don't know what to do here. Is that problem really fundamental 
or could some Qt guru point us to a solution? It looks like a rather generic 
problem, so there might be a known solution.

Anyway, feel free to do as you think is best here. I'm not opposed to reusing 
the plain libavogadro combobox for the labelengine, even if that means an 
additional checkbox to enable/disable it.

> I have been working on some of the compiler warnings we have been getting
> too in avogadro trunk. May be we should import an updated snapshot at the
> end of next week before the feature freeze?

You'd have to be careful about that because it took us some time to adapt the 
snapshot we imported, and I don't want to do the work again. If you re-import 
a snapshot, you'd have to keep the old CMakeLists and also the old code for 
loading tools and engines. There might be more things to keep, I don't 
remember.

> As far as I can see we have 
> addressed all the elements we wanted to for the port to libavogadro. We
> should list any remaining concerns to ensure they are addressed.

I also think we're seeing the end of it. I see one last feature to implement 
before the freeze: use KNewStuff2 to download a standard collection of 
molecules.

Another trivial issue is that the file loading dialog currently only proposes 
to load CML files. I think we should add an option for "common chemical file 
formats" and an option for "all files" in the filter.

Cheers,
Benoit
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