From fd60cae3b824f22efd7aad6082a0b367700db469 Mon Sep 17 00:00:00 2001 From: Sebastian Kloth Date: Tue, 26 Dec 2023 11:04:17 +0100 Subject: [PATCH] Added type hints for return values --- src/mdevaluate/__init__.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/src/mdevaluate/__init__.py b/src/mdevaluate/__init__.py index 833b520..2b8ef14 100644 --- a/src/mdevaluate/__init__.py +++ b/src/mdevaluate/__init__.py @@ -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