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Correct label in radial_distribution_between_species
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Change specie_1 to specie_2 in str2
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AstyLavrinenko authored Jan 27, 2025
1 parent 82e006c commit 44ea6aa
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion src/gemdat/rdf.py
Original file line number Diff line number Diff line change
Expand Up @@ -250,6 +250,6 @@ def normalize(radius: np.ndarray) -> np.ndarray:
counts = rdf / norm

str1 = specie_1 if isinstance(specie_1, str) else '/'.join(specie_1)
str2 = specie_1 if isinstance(specie_2, str) else '/'.join(specie_2)
str2 = specie_2 if isinstance(specie_2, str) else '/'.join(specie_2)

return RDFData(x=bins[:-1], y=counts, label=f'{str1}-{str2}', state='')

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