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(Structure|Molecule).alphabetical_formula #3478

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merged 9 commits into from
Nov 18, 2023
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@janosh janosh commented Nov 17, 2023

fc7d8db fix AssertionError assert structure # for mypy
cbb44a2 fix PhononDosPlotter.get_plot only ax.set_ylim if relevant_y is non-empty
77191b6 PhononDosPlotter.get_plot add legend keyword to customize legend
1cee2f5 Add alphabetical_formula property to SiteCollection class
5f2d7bf add TestIStructure.test_alphabetical_formula

        if temperature and not structure:
            raise ValueError("If using temperature input, you must also include structure")
sync axes labels font size to legend font size
@janosh janosh added enhancement A new feature or improvement to an existing one core Pymatgen core labels Nov 17, 2023
@janosh janosh force-pushed the struct-alph-formula branch from dc641bf to 59f0a89 Compare November 18, 2023 04:27
@janosh janosh force-pushed the struct-alph-formula branch from 59f0a89 to 401e6e5 Compare November 18, 2023 04:29
@janosh janosh merged commit 27066d3 into master Nov 18, 2023
20 of 22 checks passed
@janosh janosh deleted the struct-alph-formula branch November 18, 2023 04:31
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