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

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933d3eb
fix ValueError: not enough values to unpack (expected 2, got 0)
janosh Mar 24, 2023
f654d9f
add test to prevent regression
janosh Mar 24, 2023
5775072
fix PDPlotterTest.test_plotly_plots
janosh Mar 24, 2023
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15 changes: 5 additions & 10 deletions pymatgen/analysis/phase_diagram.py
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Original file line number Diff line number Diff line change
Expand Up @@ -3014,17 +3014,12 @@ def get_marker_props(coords, entries, stable=True):
elif self._dim == 4:
z.append(coord[2])

return {
"x": x,
"y": y,
"z": z,
"texts": texts,
"energies": energies,
"uncertainties": uncertainties,
}
return {"x": x, "y": y, "z": z, "texts": texts, "energies": energies, "uncertainties": uncertainties}

stable_coords, stable_entries = zip(*self.pd_plot_data[1].items())
unstable_entries, unstable_coords = zip(*self.pd_plot_data[2].items())
stable_coords = list(self.pd_plot_data[1])
stable_entries = self.pd_plot_data[1].values()
unstable_entries = list(self.pd_plot_data[2])
unstable_coords = self.pd_plot_data[2].values()

stable_props = get_marker_props(stable_coords, stable_entries)

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7 changes: 7 additions & 0 deletions pymatgen/analysis/tests/test_phase_diagram.py
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Original file line number Diff line number Diff line change
Expand Up @@ -878,6 +878,13 @@ def setUp(self):
self.plotter_quaternary_mpl = PDPlotter(self.pd_quaternary, backend="matplotlib")
self.plotter_quaternary_plotly = PDPlotter(self.pd_quaternary, backend="plotly")

def test_plot_pd_with_no_unstable(self):
# https://github.com/materialsproject/pymatgen/issues/2885
pd_entries = [PDEntry(comp, 0) for comp in ["Li", "Co", "O"]]
pd = PhaseDiagram(pd_entries)
plotter = PDPlotter(pd, backend="plotly", show_unstable=False)
plotter.get_plot()

def test_pd_plot_data(self):
lines, labels, unstable_entries = self.plotter_ternary_mpl.pd_plot_data
assert len(lines) == 22
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