def test_bond(): b = Bond(0, 1) assert b.get_bond_order() == 1 b1 = Bond(1, 0) assert b == b1 assert b.get_nbr_atom_idx(1) == 0
def test_atom_sharing(): b1 = Bond(0, 1) b2 = Bond(1, 0) b3 = Bond(2, 1) b4 = Bond(3, 2) assert b1.get_bond_order() == 1 assert b1.shares_atom(b2) == -1 # they are equal # sharing a single atom assert b2.shares_atom(b3) == b3.shares_atom(b1) assert b3.shares_atom(b2) == b2.shares_atom(b3) # no sharing of atoms assert b4.shares_atom(b1) == -1