Egon wrote:
>> Open up SN1 reaction (e.g. XYZ)... do script 'animation frame 1'... make
>> an
>> angle measurement.... look at the atoms picked, especially the models
>> they
>> are from... this seldomly from frame 1... The above is an attempt to fix
>> this
>> problem...
Miguel wrote:
> Now I understand that this is a bug.
>
> I thought that you were trying to add new functionality.
>
> I will try to fix it right now ... will get back to you in 10 minutes and
> let you know how it is going.
OK, there is good news and there is bad news.
The good news is that I have fixed the measurement bug. You will now no
longer select atoms from models/frames that are not visible on the screen.
(Details are below).
The bad news is that this uncovered other bugs. The measurements are being
rendered even if their atoms are not being rendered.
So, if you make measurements, then start the animation, the measurements
stay on the screen.
I will look at this tonite.
Miguel
Detail
------
The problem was this: Each atom has a flag which says whether or not it is
visible on the screen. An atom is visible if it is painted, if it has a
halo, or if it has a bond that is painted.
As part of the recent code for animations I wrote a faster loop to
determine whether or not an atom was part of a model that needed to be
painted. However, I forgot to turn off the visible bit. The code change
was in BallsRenderer.java:
for (int i = frame.atomCount; --i >= 0; ) {
Atom atom = atoms[i];
if (atom.modelNumber != displayModel) {
---> atom.formalChargeAndFlags &= ~Atom.VISIBLE_FLAG;
continue;
}
atom.transform(viewer);
render(atom);
}
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