Add structure_3d_plotly
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…site_label, generate_subplot_title, add_site_to_plot, get_structures for reuse in structure_2d and structure_(2d|3d)_plotly maybe structure_2d (mpl version) too
…plotly.svg to readme update matbench-phonons-structures-2d-plotly.svg with image atoms
FAILED tests/structure_viz/test_plotly.py::test_structure_2d_plotly[kwargs0] - AttributeError: attr='specie' not found on PeriodicSite. Did you mean...
for idx, (_key, struct) in enumerate(struct_dict.items(), start=1):
> assert fig.layout.annotations[idx - 1].text == f"{idx} - {struct.formula}"
E AssertionError: assert 'struct1 - Fe1 O1' == '1 - Fe1 O1'
E
E - 1 - Fe1 O1
E + struct1 - Fe1 O1
E ? ++++++
tests/structure_viz/test_plotly.py:190: Assertion
janosh
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enhancement
… of an array with more than one element is ambiguous. Use a.any() or a.all()
janosh
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Mar 28, 2025
* 1st swing at structure_3d_plotly * extract helper functions get_elem_colors, get_atomic_radii, generate_site_label, generate_subplot_title, add_site_to_plot, get_structures for reuse in structure_2d and structure_(2d|3d)_plotly maybe structure_2d (mpl version) too * split pymatviz/structure_viz.py module into plotly, mpl and helpers submodules * split test_structure_viz.py into test_helpers.py, test_mpl.py, test_plotly.py * add structure_3d_plotly example asset matbench-phonons-structures-3d-plotly.svg to readme update matbench-phonons-structures-2d-plotly.svg with image atoms * fix tests * add tests for structure_3d_plotly
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for quick and dirty yet interactive, pan and zoomable 3d structures that just get the job done when doing exploratory data analysis
SVG compression seems to have corrupted the example asset: