def test_get_bond_order(self):
site1 = Site("C", [0, 0, 0])
site2 = Site("H", [0, 0, 1.08])
self.assertAlmostEqual(CovalentBond(site1, site2).get_bond_order(), 1)
bond = CovalentBond(Site("C", [0, 0, 0]), Site("Br", [0, 0, 2]))
self.assertAlmostEqual(bond.get_bond_order(0.5, 1.9),
0.894736842105263)
def test_str(self):
site1 = Site("C", [0, 0, 0])
site2 = Site("H", [0, 0.7, 0.6])
self.assertIsNotNone(CovalentBond(site1, site2))
def test_length(self):
site1 = Site("C", [0, 0, 0])
site2 = Site("H", [0, 0.7, 0.6])
self.assertAlmostEqual(
CovalentBond(site1, site2).length, 0.92195444572928864)
