class TestOsziCar(unittest.TestCase):
def setUp(self):
#create an instance of OSZICAR file
self.x = OsziCar('../testdata/OSZICAR')
def test_attrs(self):
"Make sure load() effects"
for var in self.x.vars:
self.assertTrue(hasattr(self.x, var))
#should raise an exception for an AttributeError
self.assertRaises(AttributeError)
def test_esort(self):
"Make sure the esort() effects"
srted = self.x.esort('E0', 2)
shouldbe = np.array([(-101.21186, 326), (-101.21116, 324)],
dtype=[('var', '<f8'), ('step', '<i4')])
self.assertTrue((srted == shouldbe).all())
def test_plot(self):
"Make sure object could plot"
plot = self.x.plot('E0', mode='save')
self.assertTrue(isinstance(plot, matplotlib.figure.Figure))
class OsziCarTest(unittest.TestCase):
def setUp(self):
#create an instance of OSZICAR file
self.x = OsziCar('./testdata/OSZICAR')
def test_attrs(self):
"Make sure load() effects"
for var in self.x.vars:
self.assertTrue(hasattr(self.x, var))
#should raise an exception for an AttributeError
self.assertRaises(AttributeError)
def test_esort(self):
"Make sure the esort() effects"
srted = self.x.esort('E0', 2)
shouldbe = np.array([(-101.21186, 326), (-101.21116, 324)],
dtype=[('var', '<f8'), ('step', '<i4')])
self.assertTrue((srted == shouldbe).all())
def test_plot(self):
"Make sure object could plot"
plot = self.x.plot('E0', mode='save')
self.assertTrue(isinstance(plot, matplotlib.figure.Figure))
def test_plot(self):
"Make sure object could plot"
filename = path + "/OSZICAR"
oszicar = OsziCar(filename)
plot = oszicar.plot('E0', mode='save')
self.assertTrue(isinstance(plot, matplotlib.figure.Figure))
# Remove picture.
os.remove("E0_vs_step.png")
def test_plot(self):
"Make sure object could plot"
filename = path + "/OSZICAR"
oszicar = OsziCar(filename)
plot = oszicar.plot('E0', mode='save')
self.assertTrue(isinstance(plot, matplotlib.figure.Figure))
# Remove picture.
os.remove("E0_vs_step.png")