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 = PhononDosPlotter(sigma=0.2, stack=True)
self.plotter_nostack = PhononDosPlotter(sigma=0.2, stack=False)
def save_plot_dos(self,
filename,
img_format="eps",
units="thz",
label="total dos"):
plotter2 = PhononDosPlotter(stack=False, sigma=None)
plotter2.add_dos(label=label, dos=self.phonon_dos_pymatgen)
plotter2.save_plot(filename=filename,
img_format=img_format,
units=units)
class PhononDosPlotterTest(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 = PhononDosPlotter(sigma=0.2, stack=True)
def test_add_dos_dict(self):
d = self.plotter.get_dos_dict()
self.assertEqual(len(d), 0)
self.plotter.add_dos_dict(self.dos.get_element_dos(),
key_sort_func=lambda x: x.X)
d = self.plotter.get_dos_dict()
self.assertEqual(len(d), 2)
def test_get_dos_dict(self):
self.plotter.add_dos_dict(self.dos.get_element_dos(),
key_sort_func=lambda x: x.X)
d = self.plotter.get_dos_dict()
for el in ["Na", "Cl"]:
self.assertIn(el, d)
class PhononDosPlotterTest(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 = PhononDosPlotter(sigma=0.2, stack=True)
def test_add_dos_dict(self):
d = self.plotter.get_dos_dict()
self.assertEqual(len(d), 0)
self.plotter.add_dos_dict(self.dos.get_element_dos(),
key_sort_func=lambda x: x.X)
d = self.plotter.get_dos_dict()
self.assertEqual(len(d), 2)
def test_get_dos_dict(self):
self.plotter.add_dos_dict(self.dos.get_element_dos(),
key_sort_func=lambda x: x.X)
d = self.plotter.get_dos_dict()
for el in ["Na", "Cl"]:
self.assertIn(el, d)
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 = PhononDosPlotter(sigma=0.2, stack=True)
class PhononDosPlotterTest(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 = PhononDosPlotter(sigma=0.2, stack=True)
def test_add_dos_dict(self):
d = self.plotter.get_dos_dict()
self.assertEqual(len(d), 0)
self.plotter.add_dos_dict(self.dos.get_element_dos(),
key_sort_func=lambda x: x.X)
d = self.plotter.get_dos_dict()
self.assertEqual(len(d), 2)
def test_get_dos_dict(self):
self.plotter.add_dos_dict(self.dos.get_element_dos(),
key_sort_func=lambda x: x.X)
d = self.plotter.get_dos_dict()
for el in ["Na", "Cl"]:
self.assertIn(el, d)
def test_plot(self):
# Disabling latex for testing.
from matplotlib import rc
rc('text', usetex=False)
self.plotter.add_dos("Total", self.dos)
self.plotter.get_plot(units="mev")
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 = PhononDosPlotter(sigma=0.2, stack=True)
self.plotter_nostack = PhononDosPlotter(sigma=0.2, stack=False)
class PhononDosPlotterTest(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 = PhononDosPlotter(sigma=0.2, stack=True)
self.plotter_nostack = PhononDosPlotter(sigma=0.2, stack=False)
def test_add_dos_dict(self):
d = self.plotter.get_dos_dict()
self.assertEqual(len(d), 0)
self.plotter.add_dos_dict(self.dos.get_element_dos(),
key_sort_func=lambda x: x.X)
d = self.plotter.get_dos_dict()
self.assertEqual(len(d), 2)
def test_get_dos_dict(self):
self.plotter.add_dos_dict(self.dos.get_element_dos(),
key_sort_func=lambda x: x.X)
d = self.plotter.get_dos_dict()
for el in ["Na", "Cl"]:
self.assertIn(el, d)
def test_plot(self):
# Disabling latex for testing.
from matplotlib import rc
rc('text', usetex=False)
self.plotter.add_dos("Total", self.dos)
self.plotter.get_plot(units="mev")
self.plotter_nostack.add_dos("Total", self.dos)
self.plotter_nostack.get_plot(units="mev")