예제 #1
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class ThermoPlotterTest(unittest.TestCase):

    def setUp(self):
        with open(os.path.join(test_dir, "NaCl_complete_ph_dos.json"), "r") as f:
            self.dos = CompletePhononDos.from_dict(json.load(f))
            self.plotter = ThermoPlotter(self.dos, self.dos.structure)

    def test_plot_functions(self):
        # Disabling latex for testing.
        from matplotlib import rc
        rc('text', usetex=False)
        self.plotter.plot_cv(5, 100, 5, show=False)
        self.plotter.plot_entropy(5, 100, 5, show=False)
        self.plotter.plot_internal_energy(5, 100, 5, show=False)
        self.plotter.plot_helmholtz_free_energy(5, 100, 5, show=False)
        self.plotter.plot_thermodynamic_properties(5, 100, 5, show=False)
예제 #2
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class ThermoPlotterTest(unittest.TestCase):

    def setUp(self):
        with open(os.path.join(test_dir, "NaCl_complete_ph_dos.json"), "r") as f:
            self.dos = CompletePhononDos.from_dict(json.load(f))
            self.plotter = ThermoPlotter(self.dos, self.dos.structure)

    def test_plot_functions(self):
        # Disabling latex for testing.
        from matplotlib import rc
        rc('text', usetex=False)
        self.plotter.plot_cv(5, 100, 5, show=False)
        self.plotter.plot_entropy(5, 100, 5, show=False)
        self.plotter.plot_internal_energy(5, 100, 5, show=False)
        self.plotter.plot_helmholtz_free_energy(5, 100, 5, show=False)
        self.plotter.plot_thermodynamic_properties(5, 100, 5, show=False)
예제 #3
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 def setUp(self):
     with open(os.path.join(test_dir, "NaCl_complete_ph_dos.json"), "r") as f:
         self.dos = CompletePhononDos.from_dict(json.load(f))
         self.plotter = ThermoPlotter(self.dos, self.dos.structure)
예제 #4
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 def setUp(self):
     with open(os.path.join(test_dir, "NaCl_complete_ph_dos.json"), "r") as f:
         self.dos = CompletePhononDos.from_dict(json.load(f))
         self.plotter = ThermoPlotter(self.dos, self.dos.structure)
예제 #5
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 def setUp(self):
     with open(
             os.path.join(PymatgenTest.TEST_FILES_DIR,
                          "NaCl_complete_ph_dos.json")) as f:
         self.dos = CompletePhononDos.from_dict(json.load(f))
         self.plotter = ThermoPlotter(self.dos, self.dos.structure)