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Fix ValueError: not enough values to unpack in PDPlotter if no unstable entries in PD #2908

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merged 3 commits into from
Mar 24, 2023

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@janosh janosh commented Mar 24, 2023

Closes #2885.

933d3eb fix ValueError: not enough values to unpack (expected 2, got 0)
f654d9f add test to prevent regression

janosh added 2 commits March 23, 2023 17:36
in PDPlotter: unstable_entries, unstable_coords = zip(*self.pd_plot_data[2].items())
@janosh janosh enabled auto-merge (squash) March 24, 2023 00:37
self = <test_phase_diagram.PDPlotterTest testMethod=test_plotly_plots>

    def test_plotly_plots(self):
        # Also very basic tests. Ensures callability and 2D vs 3D properties.
>       self.plotter_binary_plotly.get_plot()

pymatgen/analysis/tests/test_phase_diagram.py:914:
_ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _ _
pymatgen/analysis/phase_diagram.py:2226: in get_plot
    stable_marker_plot, unstable_marker_plot = self._create_plotly_markers(label_uncertainties)
pymatgen/analysis/phase_diagram.py:3026: in _create_plotly_markers
    unstable_props = get_marker_props(unstable_coords, unstable_entries, stable=False)
pymatgen/analysis/phase_diagram.py:2979: in get_marker_props
    energy = round(self._pd.get_form_energy_per_atom(entry), 3)
pymatgen/analysis/phase_diagram.py:575: in get_form_energy_per_atom
    return self.get_form_energy(entry) / entry.composition.num_atoms
@janosh janosh merged commit c6928cc into master Mar 24, 2023
@janosh janosh deleted the gh-2885 branch March 24, 2023 01:28
jmmshn pushed a commit to jmmshn/pymatgen that referenced this pull request Mar 30, 2023
…le entries in PD (materialsproject#2908)

* fix ValueError: not enough values to unpack (expected 2, got 0)

in PDPlotter: unstable_entries, unstable_coords = zip(*self.pd_plot_data[2].items())

* add test to prevent regression
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PDPlotter fails when there is no unstable entry
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