diff --git a/pymatgen/io/lobster/inputs.py b/pymatgen/io/lobster/inputs.py index 9c6d98e7813..241466df99e 100644 --- a/pymatgen/io/lobster/inputs.py +++ b/pymatgen/io/lobster/inputs.py @@ -141,11 +141,7 @@ def __setitem__(self, key, val): leading and trailing white spaces. Similar to INCAR class. """ # due to the missing case sensitivity of lobster, the following code is necessary - - new_key = key - for key_here in self: - if key.strip().lower() == key_here.lower(): - new_key = key_here + new_key = next((key_here for key_here in self if key.strip().lower() == key_here.lower()), key) if new_key.lower() not in [element.lower() for element in Lobsterin.AVAILABLE_KEYWORDS]: raise ValueError("Key is currently not available") @@ -154,10 +150,7 @@ def __setitem__(self, key, val): def __getitem__(self, item): """Implements getitem from dict to avoid problems with cases.""" - new_item = item - for key_here in self: - if item.strip().lower() == key_here.lower(): - new_item = key_here + new_item = next((key_here for key_here in self if item.strip().lower() == key_here.lower()), item) if new_item.lower() not in [element.lower() for element in Lobsterin.AVAILABLE_KEYWORDS]: raise ValueError("Key is currently not available")