Re: [cml/ccml-discuss] [BlueObelisk-discuss] Proposition on new XML elements for CML

[Konstantin T. <an...@ya...>]

Hi all,
I think this peace of XML cleanly demonstrates excessiveness, low human readability and parsing inefficiency:
<atom>
 <property dictRef="gfx:color">
 <scalar type="xsd:string">#ff0000</scalar>
 </property>
 <property dictRef="cml:radius">
 <scalar type="xsd:float" units="units:angstrom">1.2</scalar>
 </property>
</atom>

IMHO, this information could be easily stored as
<atom gfx:color="#ff0000" cml:radius="1.2" cml:radius:units="angstrom"/>

If I'm wrong, please, explain why.


20.03.10, 09:52, "Egon Willighagen" <ego...@gm...>:

> Hi Sam,
> On Fri, Mar 12, 2010 at 4:09 PM, Sam Adams wrote:
> > 
> >   O.co2
> >   O=CO
> > 
> I always understood that the dictRef was a deep link... not pointing
> to a particular dictionary, but to the matching entry in the
> dictionary... I would have expected something like:
>   O.co2
>   O=CO
> > 
> >   
> >     #ff0000
> >   
> >   
> >     1.2
> >   
> > 
> Is there a convention for this defined?
> The JChemPaint project has been long talking about atom based
> properties and the serialization of them (though no one ever found
> actually time to implement it yet).
> > As part of Chem4Word we are looking into some of these issues (e.g.
> > colouring, radius, default bond angles, functional group
> > representations) and are investigating the possibility of a chemical
> > 'CSS' equivalent.
> This applies to a lot of project: JChemPaint (incl variants), Jmol,
> PyMOL, and likely many others...
> I'd very much like to see these things being discussed on the BO
> mailing list, so that the Blue Obelisk can make a community convention
> for these properties...
> Egon

-- 
Regards,
Konstantin

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