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make calc type enums IgnoreCase #1108

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merged 2 commits into from
Sep 19, 2024
Merged

make calc type enums IgnoreCase #1108

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d31b0ec
make calc type enums IgnoreCase
tsmathis Sep 19, 2024
03c3d1b
[automated commit] update calc type enums
invalid-email-address Sep 19, 2024
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7 changes: 6 additions & 1 deletion emmet-core/dev_scripts/generate_enums.py
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Original file line number Diff line number Diff line change
@@ -1,4 +1,5 @@
"""Module to define various calculation types as Enums for VASP."""

from __future__ import annotations
from importlib.resources import files as import_resource_files
from itertools import product
Expand Down Expand Up @@ -130,7 +131,11 @@ def generate_vasp_enums_file(enum_file_name: str | None = None) -> None:
enum_name,
docstr[enum_name],
sorted_enums,
enum_class=("IgnoreCase" if enum_name == "RunType" else "Value")
enum_class=(
"IgnoreCase"
if enum_name in ["RunType", "CalcType"]
else "Value"
)
+ "Enum",
)
)
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2 changes: 1 addition & 1 deletion emmet-core/emmet/core/vasp/calc_types/enums.py
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Original file line number Diff line number Diff line change
Expand Up @@ -100,7 +100,7 @@ class TaskType(ValueEnum):
Unrecognized = "Unrecognized"


class CalcType(ValueEnum):
class CalcType(IgnoreCaseEnum):
"""VASP calculation types."""

AM05_DFPT = "AM05 DFPT"
Expand Down