class DosPlotterTest(unittest.TestCase):
def setUp(self):
with open(os.path.join(test_dir, "complete_dos.json"), "r",
encoding='utf-8') as f:
self.dos = CompleteDos.from_dict(json.load(f))
self.plotter = DosPlotter(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), 4)
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 ["Li", "Fe", "P", "O"]:
self.assertIn(el, d)
# Minimal baseline testing for get_plot. not a true test. Just checks that
# it can actually execute.
def test_get_plot(self):
# Disabling latex is needed for this test to work.
from matplotlib import rc
rc('text', usetex=False)
self.plotter.add_dos_dict(self.dos.get_element_dos(),
key_sort_func=lambda x: x.X)
plt = self.plotter.get_plot()
self.plotter.save_plot("dosplot.png")
self.assertTrue(os.path.isfile("dosplot.png"))
os.remove("dosplot.png")
class DosPlotterTest(unittest.TestCase):
def setUp(self):
try:
import scipy
except ImportError:
raise SkipTest("scipy not present. Skipping...")
with open(os.path.join(test_dir, "complete_dos.json"), "r") as f:
self.dos = CompleteDos.from_dict(json.load(f))
self.plotter = DosPlotter(sigma=0.2, stack=True)
def test_add_dos_dict(self):
try:
import scipy
except ImportError:
raise SkipTest("scipy not present. Skipping...")
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), 4)
def test_get_dos_dict(self):
try:
import scipy
except ImportError:
raise SkipTest("scipy not present. Skipping...")
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 ["Li", "Fe", "P", "O"]:
self.assertIn(el, d)
class DosPlotterTest(unittest.TestCase):
def setUp(self):
with open(os.path.join(test_dir, "complete_dos.json"), "r",
encoding='utf-8') as f:
self.dos = CompleteDos.from_dict(json.load(f))
self.plotter = DosPlotter(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), 4)
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 ["Li", "Fe", "P", "O"]:
self.assertIn(el, d)
# Minimal baseline testing for get_plot. not a true test. Just checks that
# it can actually execute.
def test_get_plot(self):
# Disabling latex is needed for this test to work.
from matplotlib import rc
rc('text', usetex=False)
self.plotter.add_dos_dict(self.dos.get_element_dos(),
key_sort_func=lambda x: x.X)
plt = self.plotter.get_plot()
self.plotter.save_plot("dosplot.png")
self.assertTrue(os.path.isfile("dosplot.png"))
os.remove("dosplot.png")
class DosPlotterTest(unittest.TestCase):
def setUp(self):
with open(os.path.join(test_dir, "complete_dos.json"), "r") as f:
self.dos = CompleteDos.from_dict(json.load(f))
self.plotter = DosPlotter(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), 4)
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 ["Li", "Fe", "P", "O"]:
self.assertIn(el, d)
class DosPlotterTest(unittest.TestCase):
def setUp(self):
with open(os.path.join(test_dir, "complete_dos.json"), "r",
encoding='utf-8') as f:
self.dos = CompleteDos.from_dict(json.load(f))
self.plotter = DosPlotter(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), 4)
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 ["Li", "Fe", "P", "O"]:
self.assertIn(el, d)
#print spd_dos
element_dos = cdos.get_element_dos
#element_spd_dos = cdos.get_element_spd_dos(el)
dosplotter = DosPlotter()
Totaldos = dosplotter.add_dos('Total DOS', tdos)
Integrateddos = dosplotter.add_dos('Integrated DOS', idos)
#Pdos = dosplotter.add_dos('Partial DOS',pdos)
#Spd_dos = dosplotter.add_dos('spd DOS',spd_dos)
#Element_dos = dosplotter.add_dos('Element DOS',element_dos)
#Element_spd_dos = dosplotter.add_dos('Element_spd DOS',element_spd_dos)
dos_dict = {
'Total DOS': tdos,
'Integrated DOS': idos
} #'Partial DOS':pdos,'spd DOS':spd_dos,'Element DOS':element_dos}#'Element_spd DOS':element_spd_dos
add_dos_dict = dosplotter.add_dos_dict(dos_dict)
get_dos_dict = dosplotter.get_dos_dict()
dos_plot = dosplotter.get_plot()
##dosplotter.save_plot("MAPbI3_dos",img_format="png")
##dos_plot.show()
bsplotter = BSPlotter(bs)
bs_plot_data = bsplotter.bs_plot_data()
bs_plot = bsplotter.get_plot()
#bsplotter.save_plot("MAPbI3_bs",img_format="png")
#bsplotter.show()
ticks = bsplotter.get_ticks()
print ticks
bsplotter.plot_brillouin()
bsdos = BSDOSPlotter(
tick_fontsize=10,
egrid_interval=20,
dos_projection="orbitals",
