Esempio n. 1
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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)
Esempio n. 2
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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)
Esempio n. 4
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def test_bz_plot_plotly(bz_plot_info):
    fig = BZPlotlyPlotter(bz_plot_info).create_figure()
    show_png(fig)
Esempio n. 5
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def test_plotly_3d(cpd_3d):
    plotter = ChemPotDiag3DPlotlyPlotter(cpd_3d)
    fig = plotter.figure
    # fig.show()
    show_png(fig)
Esempio n. 6
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def test_plotly_3d(cpd_3d_info):
    plotter = ChemPotDiagPlotly3DMplPlotter(cpd_3d_info)
    fig = plotter.figure
    # fig.show()
    show_png(fig)
Esempio n. 7
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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)
Esempio n. 9
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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)
Esempio n. 10
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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)