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Fixed docstrings in screening.py
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AntObi committed Jul 14, 2023
1 parent 2b888aa commit 8838474
Showing 1 changed file with 5 additions and 7 deletions.
12 changes: 5 additions & 7 deletions smact/screening.py
Original file line number Diff line number Diff line change
Expand Up @@ -339,13 +339,11 @@ def smact_filter(
>>> for comp in comps:
>>> print(comp)
[('Cs', 'Pb', 'I'), (1, -4, -1), (5, 1, 1)]
[('Cs', 'Pb', 'I'), (1, 2, -1),(1, 1, 3))
Composition(element_symbols=('Cs', 'Pb', 'I'), oxidation_states=(1, 2, -1), stoichiometries=(1, 2, 5))
Composition(element_symbols=('Cs', 'Pb', 'I'), oxidation_states=(1, 2, -1), stoichiometries=(2, 1, 4))
Composition(element_symbols=('Cs', 'Pb', 'I'), oxidation_states=(1, 2, -1), stoichiometries=(3, 1, 5))
Composition(element_symbols=('Cs', 'Pb', 'I'), oxidation_states=(1, 4, -1), stoichiometries=(1, 1, 5))
[('Cs', 'Pb', 'I'), (1, 2, -1), (1, 1, 3)]
[('Cs', 'Pb', 'I'), (1, 2, -1), (1, 2, 5)]
[('Cs', 'Pb', 'I'), (1, 2, -1), (2, 1, 4)]
[('Cs', 'Pb', 'I'), (1, 2, -1), (3, 1, 5)]
[('Cs', 'Pb', 'I'), (1, 4, -1), (1, 1, 5)]
Example (using stoichs):
>>> from smact.screening import smact_filter
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