I hesitate to make the alredy complex hierarchy more so.

Agreed, also with everything Egon said but I'll respond to that also.

 What about moving get2DCenter to some superclass?

The trouble is what about the chem objects which don't have
coordinates. 

A big question I had was what would be the function of get2DCentre() on
IAtom?

Besides that it is possible to do the following with little impact to
the concrete classes (gave my own name the interface). 

public interface ICartesianChemObject extends IChemObject {

    public Point2D getPoint2D();

    public Point2D getCentre2D();

    public Point3D getPoint3D();

    // etc...
 
}

It's then possible to aggregate the functionality at the interface level. 

public interface IAtom extends IAtomType, ICartesianChemObject {

}

public interface IBond extends IElectronContainer, ICartesianChemObject {

}

Cheers,
J

On 17 Jun 2012, at 16:21, Rajarshi Guha wrote:

I hesitate to make the alredy complex hierarchy more so.

What about moving get2DCenter to some superclass?

On Sun, Jun 17, 2012 at 4:49 AM, <ralf@ark.in-berlin.de> wrote:
Hello,
I propose to add a class to the IChemObject hierarchy to
the effect that IElement and IElectronContainer (and maybe
IAtomContainer) have a superclass below IChemObject, making
it possible to call get2DCenter() on both IBond and IAtom
(and others too) when that method will be moved to that interface.

Reason: it's a natural; also, there are situations any
selected object is wanted regardless of Atom/Bond.

Possible names coming to mind are
o IObjectWith2DCenter
o IPositionableObject
o IObjectInArea
o IObjectInSpace

Opinions? What about arrows?


Regards,
ralf


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Rajarshi Guha | http://blog.rguha.net
NIH Center for Advancing Translational Science

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