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pyscal / atomRDF

atomRDF is a python tool for ontology-based creation, manipulation, and quering of structures. atomRDF uses the Computational Material Sample Ontology (CMSO).
https://atomrdf.pyscal.org
MIT License
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Tracking modifications #156

Closed aazocar closed 3 months ago

aazocar commented 3 months ago

When using structure.modify.repeat, the new "repeated" structure is not tracked or added to the kg.

The triples regarding the repetition, as well as the changes to the box and number of atoms should be added.