Skip to content

Commit

Permalink
Merge pull request #207 from WMD-group/dandavies99-improve-screening-…
Browse files Browse the repository at this point in the history
…docstrings

fix: docstring consistency in screening.py
  • Loading branch information
AntObi authored Jan 18, 2024
2 parents a3f6f74 + e8bcb6b commit 26b6a05
Showing 1 changed file with 10 additions and 10 deletions.
20 changes: 10 additions & 10 deletions smact/screening.py
Original file line number Diff line number Diff line change
Expand Up @@ -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:
Expand Down Expand Up @@ -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:
Expand Down Expand Up @@ -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(
Expand Down Expand Up @@ -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(
Expand All @@ -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
Expand Down

0 comments on commit 26b6a05

Please sign in to comment.