Rename VaspInputSet.(potcar_functional->user_potcar_functional) and start testing DictSet
#3035
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janosh
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…tional' was renamed to user_potcar_functional on pymatgen/io/vasp/sets.py:123
if "mp" in extra_fields_single: > assert len(structs["mp"]) == len(extra_fields_single["mp"]) E KeyError: 'mp' pymatgen/ext/tests/test_optimade.py:54: KeyError
janosh
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class DictSetTest to start testing DictSetclass DictSetTest to start testing DictSet
janosh
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needs discussion
janosh
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class DictSetTest to start testing DictSetDictSet
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Agreed. |
janosh
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DictSetDictSet
janosh
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needs discussion
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Follow up to #3031 adding a test to make sure we don't regress again. I just realized we had 0 tests for
DictSetbefore. While writing some, I noticedDictSet.as_dict()is also broken. Not only since #2972, even before due to not storing thevalidate_magmonsinit kwarg on instances.VaspInputSet.potcar_functionalwas renamed toVaspInputSet.user_potcar_functionalto fixDictSet.as_dict()which otherwise errorsA
DictSet@propertywas added aliasing.user_potcar_functionalto.potcar_functionalto avoid breaking changes.