def make_band_plot_info(self):
bs_plotter = BSPlotter(self.bs)
plot_data = bs_plotter.bs_plot_data(zero_to_efermi=False)
distances = [list(d) for d in plot_data["distances"]]
self._composition = self.vasprun.final_structure.composition
band_info = [BandInfo(band_energies=self._remove_spin_key(plot_data),
band_edge=self._band_edge(self.bs, plot_data),
fermi_level=self.bs.efermi)]
if self.vasprun2:
bs2 = self.vasprun2.get_band_structure(self.kpoints_filename,
line_mode=True)
plot_data2 = BSPlotter(bs2).bs_plot_data(zero_to_efermi=False)
band_info.append(
BandInfo(band_energies=self._remove_spin_key(plot_data2),
band_edge=self._band_edge(bs2, plot_data2),
fermi_level=self.bs.efermi))
x = bs_plotter.get_ticks_old()
x_ticks = XTicks(_sanitize_labels(x["label"]), x["distance"])
return BandPlotInfo(band_info_set=band_info,
distances_by_branch=distances,
x_ticks=x_ticks,
title=self._title)
def mock_two_bands_plt_axis(two_band_set, mocker):
mock_plt = mocker.patch("vise.analyzer.plot_band.plt", auto_spec=True)
mock_axis = MagicMock()
mock_plt.gca.return_value = mock_axis
band_plot_info = BandPlotInfo(two_band_set, distances, x_ticks, title)
plotter = BandPlotter(band_plot_info, y_range)
plotter.construct_plot()
return mock_plt, mock_axis
def test_band_plot_info_add(band_plot_info, band_info_set):
band_plot_info_2 = BandPlotInfo(band_info_set, distances, x_ticks, "a")
added = band_plot_info + band_plot_info_2
assert added.band_info_set[0] == band_info_set[0]
assert added.band_info_set[1] == band_info_set[0]
assert added.distances_by_branch == distances
assert added.x_ticks == x_ticks
assert added.title == title # title is set to the original one.
def band_plot_info(band_info_set):
return BandPlotInfo(band_info_set, distances, x_ticks, title)
def test_draw_two_bands(two_band_set):
band_plot_info = BandPlotInfo(two_band_set, distances, x_ticks, title)
band_plotter = BandPlotter(band_plot_info, y_range)
band_plotter.construct_plot()
band_plotter.plt.show()