def mock_plt_list(mocker, band_info_set, band_plot_info):
mock_plt = mocker.patch("vise.analyzer.plot_band.plt", auto_spec=True)
mock_axis = MagicMock()
mock_plt.gca.return_value = mock_axis
plotter = BandPlotter(band_plot_info, y_range)
plotter.construct_plot()
return mock_plt, mock_axis
def plot_band(args: Namespace):
band_plot_info_from_vasp = BandPlotInfoFromVasp(
vasprun=Vasprun(args.vasprun), kpoints_filename=args.kpoints_filename)
plot_info = band_plot_info_from_vasp.make_band_plot_info()
plot_info.to_json_file()
plotter = BandPlotter(plot_info, energy_range=args.y_range)
plotter.construct_plot()
plotter.plt.savefig(args.filename, format="pdf")
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_draw_band_plotter_with_actual_vasp_files(test_data_files: Path):
vasprun_file = str(test_data_files / "KO2_band_vasprun.xml")
kpoints_file = str(test_data_files / "KO2_band_KPOINTS")
vasprun = Vasprun(vasprun_file)
plot_info = BandPlotInfoFromVasp(vasprun,
kpoints_file).make_band_plot_info()
plotter = BandPlotter(plot_info, [-10, 10])
plotter.construct_plot()
plotter.plt.show()
def test_reference_energy(ref_energy, subtracted_energy, mocker, band_plot_info):
mock_plt = mocker.patch("vise.analyzer.plot_band.plt", auto_spec=True)
mock_axis = MagicMock()
mock_plt.gca.return_value = mock_axis
plotter = BandPlotter(band_plot_info, y_range, ref_energy)
plotter.construct_plot()
band_defaults = BandMplSettings()
mock_plt.axhline.assert_called_with(y=band_edge.cbm - subtracted_energy,
**band_defaults.hline)
def test_draw_two_bands(test_data_files: Path):
mpl_settings = BandMplSettings(linewidth=[0.3, 1.0],
circle_size=50,
show_legend=False)
vasprun_file = str(test_data_files / "CdAs2O6-vasprun1.xml")
vasprun2_file = str(test_data_files / "CdAs2O6-vasprun2.xml")
kpoints_file = str(test_data_files / "CdAs2O6-KPOINTS")
vasprun = Vasprun(vasprun_file)
vasprun2 = Vasprun(vasprun2_file)
plot_info = BandPlotInfoFromVasp(vasprun,
kpoints_file,
vasprun2,
energy_window=[-20.0, 20.0
]).make_band_plot_info()
plotter = BandPlotter(plot_info, [-10, 10], mpl_defaults=mpl_settings)
plotter.construct_plot()
plotter.plt.show()
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()
def test_draw_bands(band_plot_info):
band_plotter = BandPlotter(band_plot_info, y_range)
band_plotter.construct_plot()
band_plotter.plt.show()