search

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
10 stars 2 forks source link

Predicate should be hasChemicalSymbol instead of hasSymbol #109

Closed NinadBhat closed 6 months ago

NinadBhat commented 6 months ago

When deleting atoms, and inserting substitutions and interstitials, atomRDF currently sets the predicate as hasSymbol. It should be hasChemicalSymbol instead.

NinadBhat commented 6 months ago

@srmnitc: I have created pull request (#110) for this.

srmnitc commented 6 months ago

@NinadBhat thanks, merged!