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Clarify chemsys description in docstring
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munrojm committed Jul 11, 2024
1 parent 2c13d6a commit 801c05c
Showing 1 changed file with 9 additions and 9 deletions.
18 changes: 9 additions & 9 deletions mp_api/client/mprester.py
Original file line number Diff line number Diff line change
Expand Up @@ -949,9 +949,7 @@ def get_ion_reference_data(self) -> list[dict]:
query={"project": "ion_ref_data"},
fields=["identifier", "formula", "data"],
paginate=True,
).get(
"data"
) # type: ignore
).get("data") # type: ignore

def get_ion_reference_data_for_chemsys(self, chemsys: str | list) -> list[dict]:
"""Download aqueous ion reference data used in the construction of Pourbaix diagrams.
Expand Down Expand Up @@ -1135,15 +1133,15 @@ def get_entries_in_chemsys(
):
"""Helper method to get a list of ComputedEntries in a chemical system.
For example, elements = ["Li", "Fe", "O"] will return a list of all
entries in the Li-Fe-O chemical system, i.e., all LixOy,
FexOy, LixFey, LixFeyOz, Li, Fe and O phases. Extremely useful for
creating phase diagrams of entire chemical systems.
entries in the parent Li-Fe-O chemical system, as well as all subsystems
(i.e., all LixOy, FexOy, LixFey, LixFeyOz, Li, Fe and O phases). Extremely
useful for creating phase diagrams of entire chemical systems.
Note that by default this returns mixed GGA/GGA+U entries. For others,
pass GGA/GGA+U/R2SCAN, or R2SCAN as thermo_types in additional_criteria.
Args:
elements (str or [str]): Chemical system string comprising element
elements (str or [str]): Parent chemical system string comprising element
symbols separated by dashes, e.g., "Li-Fe-O" or List of element
symbols, e.g., ["Li", "Fe", "O"].
use_gibbs: If None (default), DFT energy is returned. If a number, return
Expand Down Expand Up @@ -1230,8 +1228,10 @@ def get_bandstructure_by_material_id(
Returns:
bandstructure (Union[BandStructure, BandStructureSymmLine]): BandStructure or BandStructureSymmLine object
"""
return self.electronic_structure_bandstructure.get_bandstructure_from_material_id( # type: ignore
material_id=material_id, path_type=path_type, line_mode=line_mode
return (
self.electronic_structure_bandstructure.get_bandstructure_from_material_id( # type: ignore
material_id=material_id, path_type=path_type, line_mode=line_mode
)
)

def get_dos_by_material_id(self, material_id: str):
Expand Down

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