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Fix #331 #340

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Jan 3, 2024
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update function name
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xiki-tempula committed Jan 3, 2024

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commit 7f6d90e62541755d2a727caba1f55a0688d34698
2 changes: 1 addition & 1 deletion environment.yml
Original file line number Diff line number Diff line change
@@ -4,7 +4,7 @@ channels:
dependencies:
- python
- numpy
- pandas
- pandas>=2.1
- pymbar>=4
- scipy
- scikit-learn
2 changes: 1 addition & 1 deletion setup.py
Original file line number Diff line number Diff line change
@@ -47,7 +47,7 @@
tests_require=["pytest", "alchemtest"],
install_requires=[
"numpy",
"pandas>=1.4",
"pandas>=2.1",
"pymbar>=4",
"scipy",
"scikit-learn",
6 changes: 3 additions & 3 deletions src/alchemlyb/parsing/parquet.py
Original file line number Diff line number Diff line change
@@ -4,7 +4,7 @@
from . import _init_attrs


def _check_metadata(path: str, T: float) -> pd.DataFrame:
def _read_parquet_with_metadata(path: str, T: float) -> pd.DataFrame:
"""
Check if the metadata is included in the Dataframe and has the correct
temperature.
@@ -69,7 +69,7 @@ def extract_u_nk(path, T):
.. versionadded:: 2.1.0

"""
u_nk = _check_metadata(path, T)
u_nk = _read_parquet_with_metadata(path, T)
columns = list(u_nk.columns)
if isinstance(columns[0], str) and columns[0][0] == "(":
new_columns = []
@@ -114,4 +114,4 @@ def extract_dHdl(path, T):
.. versionadded:: 2.1.0

"""
return _check_metadata(path, T)
return _read_parquet_with_metadata(path, T)
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