[gmx-developers] libxml2

Erik Lindahl erik.lindahl at scilifelab.se
Mon Nov 18 23:26:15 CET 2013


On 18 Nov 2013, at 23:06, David van der Spoel <spoel at xray.bmc.uu.se> wrote:
> Yes this would be possible, but most xml gurus tend to shy away from 
> attributes in favor of xml tags. Note that different tags implement 
> different units here.

Right - I was mostly thinking about (semi-)automatic parsing again. Is there a limit to how high the factors can be and/or which ones can/must be present? 

With a schema, I think it will be super-easy to require that an element contains a series of other elements with tag “q”, and an attribute “order” that must be a unique integer - it might even be possible to require that they start from 0 and must be continuous.

Alternatively, we probably need to set a limit that we can have e.g. q0 through q5.

>> * Finally, to try and help rather than nitpicking about specific fields:
>> David, perhaps you do a high-level description about the things you want
>> to encode, and what choices we need for that? What choices are allowed
>> in different parts?
> There is a paper submitted by my coworkers. There is even the beginning 
> of a manual description in the patch in gerrit. Is that what you mean?

“If everything else fails, read the documentation.” 

My bad - I’ll have a go at that :-)


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