[Kalzium] Molecular Viewer Bug

Benoit Jacob jacob at math.jussieu.fr
Sat Aug 25 11:22:53 CEST 2007


If you're subscribed to kalzium at kde.org, you got Carsten's reply. 
Otherwise, please subscribe!

Ok, so it's not a driver issue, but a real bug. Let's track it down.

Kalzium currently uses a snapshot of libavogadro from mid-May, that's 3 
monthes ago. The reason for using a local snapshot is that libavogadro's 
API is not yet stable. Some of the subsequent fixes and improvements in 
libavogadro have been backported to kalzium's snapshot. Anyway, we never 
saw this bug before.

I just had an idea. This is perhaps not a bug in our code, but in 
OpenBabel. Which exact version are you using? You should use the latest 
stable (2.1.x), not anything from SVN.

Here's the idea: your bug looks like all atoms are painted in black. But 
libavogadro asks OpenBabel for the color in which to paint atoms. So 
perhaps the problem is that OpenBabel is always returning black colors. 
Let's check that.

Open the file (and make a backup of it!):
kalzium/libavogadro-kalzium/src/color.cpp
and add a qDebug() inside the body of the function
void Color::applyAsMaterials()
as follows:
qDebug() << "color: " << m_red << ", " << m_green << ", " << m_blue; 
What does the output look like?
Now, at the beginning of this function, add the line:
m_red = 1;
Does this make a difference ?

Benoit

On Sat, 25 Aug 2007, Johannes Simon wrote:

>> libgl1-mesa-swx11
>>
>> So please install it and rerun Kalzium!
>
> I installed it, and also removed the "load dri" section from my
> xorg.conf, restarted my gdm session, and reran Kalzium. I still get the
> same bug, though. I did have DRI issues with my ATI card before, yes,
> but this apparently is not what causes the problem.
>
> So what exactly is the difference between the avogadro library in the
> kalzium tree and the actual version? I guess we'll find the problem
> there.
>
> _______________________________________________
> Kalzium mailing list
> Kalzium at kde.org
> https://mail.kde.org/mailman/listinfo/kalzium
>


More information about the Kalzium mailing list