[gmx-developers] libxml2

Erik Lindahl erik.lindahl at scilifelab.se
Wed Nov 13 20:32:50 CET 2013


On 13 Nov 2013, at 10:57, David van der Spoel <spoel at xray.bmc.uu.se> wrote:
> The thing is that for small files it doesn't matter, neither DTD nor 
> Schema is used if you don't need it. I still have a hard time 
> comprehending why we would like to mix e.g. simulation data with all 
> possible other stuff.

It’s not primarily about automatically mixing things, but to properly mark up the data: The namespace marks up what the data _is_ and how this data particular is allowed to be formatted. I think this is going to be critically important, in particular in a future where we suddently have dozens of different XML files for each force field. 

As always, it is going to be completely obvious to the original author of a given tool how the data should be formatted, but the thing is that we want it to be obvious to everybody :-)

I’m also OK with doing a hack, provided everybody later is willing to contribute the work to have a proper design post-5.0! (rather than, say, leaving that to Mark)



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