diff --git a/requirements.txt b/requirements.txt index 06cbd2d0..dd841122 100644 --- a/requirements.txt +++ b/requirements.txt @@ -64,7 +64,7 @@ pandas==2.1.3 # pymatgen pathos==0.3.1 # via SMACT (setup.py) -pillow==10.1.0 +pillow==10.2.0 # via matplotlib plotly==5.18.0 # via pymatgen diff --git a/smact/screening.py b/smact/screening.py index 1931e0ab..ed0f5789 100644 --- a/smact/screening.py +++ b/smact/screening.py @@ -43,8 +43,8 @@ def pauling_test( Returns: bool: - True if positive ions have lower - electronegativity than negative ions + True if anions are more electronegative than + cations, otherwise False """ if repeat_anions and repeat_cations and threshold == 0.0: @@ -135,8 +135,8 @@ def pauling_test_old( Returns: (bool): - True if positive ions have lower - electronegativity than negative ions + True if anions are more electronegative than + cations, otherwise False """ if None in paul: @@ -192,8 +192,8 @@ def eneg_states_test(ox_states: List[int], enegs: List[float]): compound Returns: - bool : True if cations have higher electronegativity than - anions, otherwise False + bool : True if anions are more electronegative than + cations, otherwise False """ for (ox1, eneg1), (ox2, eneg2) in combinations( @@ -231,8 +231,8 @@ def eneg_states_test_threshold( the Pauling criterion Returns: - bool : True if cations have higher electronegativity than - anions, otherwise False + bool : True if anions are more electronegative than + cations, otherwise False """ for (ox1, eneg1), (ox2, eneg2) in combinations( @@ -259,8 +259,8 @@ def eneg_states_test_alternate(ox_states: List[int], enegs: List[float]): compound Returns: - bool : True if cations have higher electronegativity than - anions, otherwise False + bool : True if anions are more electronegative than + cations, otherwise False """ min_cation_eneg, max_anion_eneg = 10, 0