def test(test_data_files):
band_plot_data = loadfn(
str(test_data_files / "KAlSi3O8_band_plot_info.json"))
dos_plot_data = loadfn(str(test_data_files /
"KAlSi3O8_dos_plot_data.json"))
band_dos_component = BandDosPlotlyPlotter(dos_plot_data, band_plot_data)
# band_dos_component.fig.show()
show_png(band_dos_component.fig)
def test_bz_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)
bz_plot_info = BandPlotInfoFromVasp(vasprun,
kpoints_file).make_bz_plot_info()
fig = BZPlotlyPlotter(bz_plot_info).create_figure()
# fig.show()
show_png(fig)
def test_plotly_with_actual_file():
eig = loadfn(Path(__file__).parent / "band_edge_eigenvalues.json")
plotter = EigenvaluePlotlyPlotter(title="test",
band_edge_eigenvalues=eig,
supercell_vbm=0.5,
supercell_cbm=2.6)
fig = plotter.create_figure()
# fig.show()
show_png(fig)
def test_bz_plot_plotly(bz_plot_info):
fig = BZPlotlyPlotter(bz_plot_info).create_figure()
show_png(fig)
def test_plotly_3d(cpd_3d):
plotter = ChemPotDiag3DPlotlyPlotter(cpd_3d)
fig = plotter.figure
# fig.show()
show_png(fig)
def test_plotly_3d(cpd_3d_info):
plotter = ChemPotDiagPlotly3DMplPlotter(cpd_3d_info)
fig = plotter.figure
# fig.show()
show_png(fig)
def test_plotly_2d(cpd_plot_info_2d):
plotter = ChemPotDiagPlotly2DMplPlotter(cpd_plot_info_2d)
fig = plotter.figure
# fig.show()
show_png(fig)
def test_defect_energies_plotly_actual_plot(defect_energy_plotters):
_, plotter = defect_energy_plotters
fig = plotter.create_figure()
show_png(fig)
def test_defect_energies_plotly_actual_plot(efnv_cor):
fig = SitePotentialPlotlyPlotter.from_efnv_corr(
title="ZnO Va_O1_2", efnv_correction=efnv_cor).create_figure()
show_png(fig)
def test_absorption_coeff_plotly_plotter(actual_diele_func_data):
plotter = AbsorptionCoeffPlotlyPlotter(actual_diele_func_data,
materials=["GaAs"])
fig = plotter.create_figure()
show_png(fig)