def test_bond_check(): bond1 = 1.4 bond2 = 1.7 observed1 = ga.bond_check(bond1) observed2 = ga.bond_check(bond2) assert observed1 == True assert observed2 == False
def test_bond_check_false(): bond_len = 1.2 min = 0 max = 1.0 observed = ga.bond_check(bond_len, min, max) assert observed == False
def test_bond_check(): distance = 0.3 expected = True observed = ga.bond_check(distance) assert observed == expected
def test_bond_check(): distance = 1 minimum = 0 maximum = 1.5 expected = True oberved = ga.bond_check(distance, minimum, maximum) assert oberved == expected
def test_bond_check_true(): bond1 = 0.9 minimum_value = 0 maximum_value = 1.5 observed = ga.bond_check(bond1, minimum_value, maximum_value) assert observed == True
def test_bond_check_false(): bond1 = 17.0 minimum_value = 0 maximum_value = 1.5 observed = ga.bond_check(bond1, minimum_value, maximum_value) assert observed == False
def test_bond_check(): expected = True observed = ga.bond_check(5, min_d=3, max_d=6) #changing fxn arguments assert observed == expected # Misc. Notes # Run pytest -v # The “-v” flag stands for verbose. It tells pytest to print more information when it runs the tests.
def test_bond_check_false(): bond_length = 3.0 observed = ga.bond_check(bond_length) assert observed == False
def test_bond_check(): atom_distance = 1.5 expected = True observed = ga.bond_check(atom_distance) assert observed == expected
def test_bond_check_1_5(): bond_distance = 1.5 expected = True observed = ga.bond_check(bond_distance) assert observed == expected
if atom_distance > minimum_length and atom_distance <= maximum_length: return True else: return False def test_bond_check_negative(): distance = -1 expected = False calculated = ga.bond_check(distance) assert expected == calculated def test_bond_check_negative(): distance = -1 expected = False with pytest.raises(ValueError) calculated = ga.bond_check(distance) #Write an exception into your open_xyz function where you check the file extension of the file name. Raise a ValueError if the file extension is not .xyz. Write a test to go with your new value error. def open_xyz(filename): fpath, extension = os.path.splitext(filename) if extension.lower() != '.xyz': raise ValueError("Incorrect file type! File must be type xyz") xyz_file = numpy.genfromtxt(fname=filename, skip_header=2, dtype='unicode') symbols = xyz_file[:,0] coord = (xyz_file[:,1:]) coord = coord.astype(numpy.float) return symbols, coord
def test_bond_check_edge_2_5(): atom_distance = 2.5 expected = False observed = ga.bond_check(atom_distance) assert observed == expected
def test_bond_check_true(): bond_len = 1.2 observed = ga.bond_check(bond_len) assert observed == True
def test_bond_check(): bond_distance_test = 2.0 observed2 = ga.bond_check(bond_distance_test) assert observed2 == False
def test_bond_check_negative(): distance = -1 expected = False with pytest.raises(ValueError): oberved = ga.bond_check(distance)
def test_bond_check_negative2(): atom_distance = -1 expected = False with pytest.raises(ValueError): calculated = ga.bond_check(distance) assert observed == calculated
def test_bond_check_negative1(): atom_distance = -1 expected = False observed = ga.bond_check(atom_distance) assert observed == expected
def test_bond_check_true(): bond_length = 1.4 observed = ga.bond_check(bond_length) assert observed == True
def test_bond_check_false(): atom_distance = 2 expected = False observed = ga.bond_check(atom_distance) assert observed == expected
def test_bond_check_false(): big_dist = 1.7 big_obs = ga.bond_check(big_dist) assert big_obs == False
def test_bond_check_error(): bond_length = 'a' with pytest.raises(TypeError): observed = ga.bond_check(bond_length)
def test_bond_check_1p6(): distance = 1.6 expected = False observed = ga.bond_check(distance) assert observed == expected
def test_bond_check_true(): gud_dist = 1.2 gud_obs = ga.bond_check(gud_dist) assert gud_obs == True
def test_bond_check_false(): """A test for the bond check function""" bond_length = 3.0 observed = ga.bond_check(bond_length) assert observed == False
def test_bond_check_1p6(): bond_distance = 1.6 expected = False observed = ga.bond_check(bond_distance) assert expected == observed
def test_bond_check_true(): """A test for the bond check function""" bond_length = 1.4 observed = ga.bond_check(bond_length) assert observed == True
def test_bond_check_0(): bond_distance = 0 expected = False observed = ga.bond_check(bond_distance) assert observed == expected
def test2_bond_check(): atom_distance = 1.6 expected = False observed = ga.bond_check(atom_distance) assert observed == expected
def test_bond_check_negative(): distance = -1 expected = False calculated = ga.bond_check(distance) assert expected == calculated
def test_bond_check_true(): bond_distance = 1.4 min = 0 max = 1.5 observed = ga.bond_check(bond_distance, min, max) assert observed == True