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Remove unnecesary isotope conversion in core.periodic_table.get_el_sp #4193

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merged 8 commits into from
Jan 9, 2025
Merged

Remove unnecesary isotope conversion in core.periodic_table.get_el_sp #4193

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031db92
add warning for isotope conversion
DanielYang59 Nov 23, 2024
4be09a7
revert to equality check
DanielYang59 Nov 23, 2024
399a5f2
revert changes
DanielYang59 Nov 23, 2024
282b570
Merge branch 'master' into get_el_sp-isotope-unit-test
shyuep Dec 11, 2024
0320bf7
Merge branch 'master' into get_el_sp-isotope-unit-test
DanielYang59 Dec 11, 2024
9e693c7
Merge branch 'master' into get_el_sp-isotope-unit-test
DanielYang59 Dec 15, 2024
6f1e27a
Merge branch 'master' into get_el_sp-isotope-unit-test
DanielYang59 Jan 2, 2025
9e5777a
Merge branch 'master' into get_el_sp-isotope-unit-test
mkhorton Jan 9, 2025
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2 changes: 0 additions & 2 deletions src/pymatgen/core/periodic_table.py
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Original file line number Diff line number Diff line change
Expand Up @@ -1631,8 +1631,6 @@ def get_el_sp(obj: int | SpeciesLike) -> Element | Species | DummySpecies:
"""
# If obj is already an Element or Species, return as is
if isinstance(obj, Element | Species | DummySpecies):
if getattr(obj, "_is_named_isotope", False):
return Element(obj.name) if isinstance(obj, Element) else Species(str(obj))
return obj

# If obj is an integer, return the Element with atomic number obj
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