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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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Add disl triples #130

Closed srmnitc closed 5 months ago

srmnitc commented 5 months ago

Add triples for dislocation generation. The arguments of the create dislocation function is also changed for clarity. Example here.

codecov[bot] commented 5 months ago

Codecov Report

Attention: Patch coverage is 86.20690% with 8 lines in your changes missing coverage. Please review.

Project coverage is 62.11%. Comparing base (1a42866) to head (f70380e).

Files Patch % Lines
atomrdf/structure.py 84.90% 8 Missing :warning:
Additional details and impacted files ```diff @@ Coverage Diff @@ ## main #130 +/- ## ========================================== + Coverage 61.51% 62.11% +0.60% ========================================== Files 22 22 Lines 2993 3049 +56 ========================================== + Hits 1841 1894 +53 - Misses 1152 1155 +3 ```

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