OK. Sounds like I've done a couple things that went over the line there. 
I hope you aren't too upset.

Let's see what people think about the "XYZI" business without committing 
ourselves either way there.

The natural/unnatural business into SmilesParser was just for speed. I 
can take that out and just leave it as part of JmolConstants. I did this 
because you suggested I generalize that check.

So OK if I leave the check in, as it was for hydrogen, but generalized, 
but not part of SmilesParser?

Bob


[EMAIL PROTECTED] wrote:

>Bob,
>
>I am not ok with your modification of the SmilesParser. Please revert that 
>change.
>
>Several reasons :
>- the SMILES syntax is a standard one, there's no "natural" isotope.
>- I designed the SmilesParser so that it is totally independant from anything 
>else, adding dependency to JmolConstants is not a good thing.
>
>If you want the PatternMatcher to have a special behaviour for 
>"natural"/"unnatural" isotopes, do it outside the SmilesParser, please.
>We should also ask people what behaviour they would like to see for this
>
>Nico
>
>
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