def test_getbands(self):
bands = parseband.bandstr('testfiles/band.xml')
x, y, miny, maxy = bands.getbands(1, 3)
shouldbe = np.array([0.0, 1., 2.]), np.array(
[[0., 1., 2.], [3., 4., 5.]]) * factor, 0.0 * factor, 5.0 * factor
self.assertTrue(np.all(x == shouldbe[0]))
self.assertTrue(np.all(y == shouldbe[1]))
self.assertTrue(np.all(miny == shouldbe[2]))
self.assertTrue(np.all(maxy == shouldbe[3]))
def test_species(self):
bands = parseband.bandstr('testfiles/band_c.xml')
x, y, c = bands.species(1)
shouldbe = [
np.array([0., 1., 2.]),
np.array([0., 1., 2.]) * factor,
np.array([6., 24., 42.])
]
self.assertTrue(np.all(x == shouldbe[0]))
self.assertTrue(np.all(y == shouldbe[1]))
self.assertTrue(np.all(c == shouldbe[2]))
def test_atom(self):
bands = parseband.bandstr('testfiles/band_c.xml')
x, y, c = bands.atom(1, 1)
shouldbe = [
np.array([0., 1., 2.]),
np.array([0., 1., 2.]) * factor,
np.array([3., 12., 21.])
]
self.assertTrue(np.all(x == shouldbe[0]))
self.assertTrue(np.all(y == shouldbe[1]))
self.assertTrue(np.all(c == shouldbe[2]))
def test_getlabels_c(self):
bands = parseband.bandstr('testfiles/band_c.xml')
x, labels = bands.getlabels()
shouldbe = [np.array([0., 1., 2.]), ["$X$", "$Y$", "$Z$"]]
self.assertTrue(np.all(x == shouldbe[0]))
self.assertListEqual(labels, shouldbe[1])