[Cdk-devel] patch 2902612

[Rajarshi G. <raj...@gm...>]

Hi I was looking at patch 2902612 (http://sourceforge.net/tracker/?func=detail&aid=2902612&group_id=20024&atid=320024 
) which indicates that the valency in AtomType should default to zero.

I think this makes sense - in fact a constructor looks like:

public AtomType(String elementSymbol) {
		super(elementSymbol);
		this.identifier = null;
		this.formalNeighbourCount = 0;
		this.electronValency = 0;
		this.formalCharge = 0;
	}

Is there a reason that these 3 fields are set to zero, rather than  
going with UNSET?

I think ti should be the latter. Comments?

(This is for master)

----------------------------------------------------
Rajarshi Guha        | NIH Chemical Genomics Center
http://www.rguha.net | http://ncgc.nih.gov
----------------------------------------------------
Heisenberg may have been here.