On Wednesday 27 November 2002 16:02, mth wrote:
> >> Yes, I think it's usefull and quite easy to do. I will do it.
> >> z-ordering is probably impossible to handle correclty with our pseudo
> >> 3D.
> >
> > I am trying to learn more about 'real 3D' to improve our pseudo-3D.
> >
> > The main reason I went in to work on this section of the code was to fix
> > a bug. If you zoom in close, the atoms in the back get smaller. I now
> > understand that this is a problem which is caused by our pseudo-3D.
>
> Fabian,
>
> I did some research and experimentation over the past few days on our
> pseudo-3D. I successfully hacked together a prototype which properly
> calculated perspective of atoms and bonds without the need for "scaling
> factors". Everything is done in Angstroms and a single variable called
> scalePixelsPerAngstrom. And the atoms in the background do not get smaller
> as you zoom closer.
>
> However, it was just a hack and I am not going to check it in yet. Egon
> indicated that he wants to change some of the underlying classes to work
> with cdk.sf.net, so I'm going to hold off for now.

Ok, had not really planned it this soon, but ok... if you're waiting for me to 
make the move... ;)

In a few minutes I'll check in the first changes for to move towards the use 
of the CDK core classes. Fabian, maybe you can also have a look at the CDK 
core classes (cdk.sf.net), especially the cdk.Crystal class.

The commit will add only limited use of the core classes, but at least, it 
makes Jmol's Atom extend the cdk.Atom class... In time I'll move 
functionality around the Jmol classes (i.e. to start with Atom, AtomType, 
BaseAtomType) and remove code that is offered by the CDK class). E.g. the 
atomicNumber field has been removed in the first (upcoming) patch.

Like Miguel, I will check in the changes gradually, and hope that things don't 
break. Miguel, please continue the work you are doing now... My goal is to 
keep the 'old' Jmol methods in as long a I can, possibly making the old 
method a wrapper method (as in the getAtomNumber() method in the first 
patch)... If I change any API, I'll fix it for all classes in the same 
patch... That should give you a stable as possible basis. But again, I'll do 
that as little as possible, and never without warning...

If you encounter any problem, report it, and I'll try to fix it ASAP.

Egon




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