Op dinsdag 25 februari 2003 18:52, schreef Miguel:
> >> 2. move the cdk/libio/jmol/Convertor.java to Jmol's CVS, so that CDK
> >> less
> >>     depends on jmol.jar to get compiled
>
> This looks like a very good idea to me.
>
> As far as I can tell, the only references from cdk to jmol are in:
>  applications/PublicJmol.java
>  applications/Viewer.java
>  libio/jmol/Convertor.java
>  test/libio/JmolLibIOTest.java

Right, I've copied the Convertor to Jmol's CVS, so that it can be removed
from CDK. In the future it would be obsolete all together...

The PublicJmol.java in CDK can be removed too, because I can make
the Jmol's, Jmol.java public... (PublicJmol.java is just a sort of wrapper).

The Viewer.java I need to modify so that it does not build depend on
Jmol, just run depend on it, by using dynamic class loading.

> It seems to me that there should not be any dependancies from the cdk core
> to jmol. So we should put the appropriate parts into Jmol.

Well, the CDK core must not depend on anything at all, except for a java 
compiler and runtime...

> If there are pieces which you feel do not belong in Jmol (the
> applications?), then I recommend that they be pulled out of the core cdk
> and put into a separate cdkapps project. That way the core cdk library
> would not have dependencies on an application.
>
> >> 3. update the new Convertor.java to match the current Jmol data
> >> classes 4. Use the new Convertor.java to read ShelX
> >
> > Hmmm ... I am not familiar with Convertor.java. I will take a look at it
> > too.
>
> Now that an org.openscience.jmol.Atom *is* an org.openscience.cdk.Atom,
> what is the primary purpose of the Convertor? Is it only for the
> application/Viewer?

At this moment it is mostly for casting CDK Atom into Jmol Atom (see Convertor
in Jmol) and for converting CDK's Crystal into Jmol crystal. Fabian does not
use Jmol's atom class, I think.

> Since you want to get rid of jmol.Atom, what needs to be done to complete
> the switch?

Removal of AtomType.java (which you did yesterday), BaseAtomType, and
more difficult (we need to discuss this with Fabian) the removal of 
Crystal.java.... 

Egon



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