[QE-users] xml parser for data-file-schema.xml in qe

Pietro Davide Delugas pdelugas at sissa.it
Tue Nov 12 11:27:49 CET 2019


Hi Kumar

could you send me a snippet of the code you you used for parsing ?
You  can also post the issue directly in the issue of the repository. 
Disappointingly nobody has used that section yet

As a general answer parsing the xml file with python is very simple. You 
don't even need qeschema, the xmlschema package is sufficient, even if 
in that case you need to download the schema file by yourself, its 
location is printed in the header of the xml file.

For example if you
current url for example is

http://www.quantum-espresso.org/ns/qes/qes_190304.xsd

To convert the whole output of QE in a python dictionay the python lines 
are something like:

import xmlschema
from xml.etree import ElementTree

schema = xmlschema.XMLSCHEMA('qes_190304.xsd')
data = ElementTree.parse('prefix.save//data-file-schema.xml').getroot()
data_dict = schema.to_dict(data)




On 11/12/19 4:07 AM, Sonu Kumar wrote:
> Dear QE users,
>
> Is there any xml parser for data-file-schema.xml in "prefix".save 
> directory of tmp directory?
>
> I found qeschema (https://github.com/QEF/qeschema), but stuck by the 
> attribute errors of the object XsdConstraintXPathParser 
> (AttributeError: type object 'XsdConstraintXPathParser' has no 
> attribute 'end')
> Any suggestions for xml parser or the error would be appreciated.
>
> best regards,
> Kumar
>
> **
> *With kind regards,
> *
> *S Kumar |  PhD.
> *
> **
>
> _______________________________________________
> Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso)
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