Added type hints for return values
This commit is contained in:
parent
f48e037936
commit
fd60cae3b8
@ -25,7 +25,7 @@ def open(
|
||||
index_file: Optional[str] = None,
|
||||
charges: Optional[list[float]] = None,
|
||||
masses: Optional[list[float]] = None,
|
||||
):
|
||||
) -> coordinates.Coordinates:
|
||||
"""
|
||||
Open a simulation from a directory.
|
||||
|
||||
@ -101,7 +101,7 @@ def open(
|
||||
return coords
|
||||
|
||||
|
||||
def open_energy(file: str):
|
||||
def open_energy(file: str) -> pd.DataFrame:
|
||||
"""Reads a gromacs energy file and output the data in a pandas DataFrame.
|
||||
Args:
|
||||
file: Filename of the energy file
|
||||
|
Loading…
Reference in New Issue
Block a user