Re: [cml/ccml-discuss] Inspecting CML for has2D/3D

[Ola S. <ola...@fa...>]

Hi,

Thanks for your help. Another question below:

On Jul 30, 2008, at 10:15 , Ola Spjuth wrote:

> Hi,
>
> In Bioclipse (http://www.bioclipse.net) we need a fast way of  
> inspecting a file and find out if it contains 2D or 3D coordinates,  
> hence no parsing but only looking at a few early elements. The  
> method does not have to be foolproof, but must be fast.
>
> What are the ways of deducing if the file contains a molecule with  
> 2D or 3D? We only care about files with 1-N molecules currently, no  
> mixed content (like spectra as well in same file).
>
> I assume the top element is <molecule> with namespace=http:// 
> www.xml-cml.org/schema.

I just stumbled upon a molecule with the namespace xmlns="http:// 
www.xml-cml.org/schema/cml2/core"

A new acquaintance for me. Is this accepted? Are there any more  
namespaces I should let slip through my namespace filter (for  
backwards and future compatibility)?

When filtering in Bioclipse/Eclipse it is common to read the root  
element but I assume it is not feasible in this case to filter based  
on root element name, and instead stick to root element namespace?

Cheers,

/Ola