def test_calculate_angle(): """Test that calculate_angle function calculates what we expect.""" r1 = np.array([0, 0, -1]) r2 = np.array([0, 0, 0]) r3 = np.array([1, 0, 0]) expected_angle_deg = 90.0 expected_angle = np.deg2rad(expected_angle_deg) calculated_angle = molecool.calculate_angle(r1, r2, r3) calculated_angle_deg = molecool.calculate_angle(r1, r2, r3, degrees=True) assert expected_angle == calculated_angle assert expected_angle_deg == calculated_angle_deg
def test_calculate_angle(): """ Testing the calculate_angle function """ r1 = np.array([0, 0, -1]) r2 = np.array([0, 0, 0]) r3 = np.array([1, 0, 0]) expected_angle = 90 calculated_angle = molecool.calculate_angle(r1, r2, r3, degrees=True) expected_angle_rad = np.pi / 2 calculated_angle_rad = molecool.calculate_angle(r1, r2, r3) assert pytest.approx(expected_angle) == calculated_angle assert pytest.approx(expected_angle_rad) == calculated_angle_rad
def test_calculate_angle_many(p1, p2, p3, expected_angle): """ Calculated """ calculated_value = molecool.calculate_angle(p1, p2, p3, degrees=True) assert pytest.approx(expected_angle) == calculated_value
def test_calculate_angle(): r1 = np.array([0, 0, -1]) r2 = np.array([0, 0, 0]) r3 = np.array([1, 0, 0]) expected_angle = 90 calculated_angle = molecool.calculate_angle(r1, r2, r3, degrees=True) assert expected_angle == calculated_angle #For an assert statement: If it is true, nothing happens. If it is falwe, there is an assertion error.
def test_calculate_angle(): r1 = np.array([0, 0, -1]) r2 = np.array([0, 0, 0]) r3 = np.array([1, 0, 0]) expected = 90 actual = molecool.calculate_angle(r1, r2, r3, True) assert pytest.approx(expected, abs=1e-2) == actual
def test_calculate_angle(): rA = np.array([1, 0, 0]) rB = np.array([0, 0, 0]) rC = np.array([0, 1, 0]) expected_angle = 180 calculated_angle = molecool.calculate_angle(rA, rB, rC, degrees=True) assert pytest.approx(expected_angle, calculated_angle)
def test_angle(): r1 = np.array([0.0, 0.0, -1.0]) r2 = np.array([0.0, 0.0, 0.0]) r3 = np.array([1.0, 0.0, 0.0]) expect_value = 90.0 calculate_value = mol.calculate_angle(r1, r2, r3, degrees=True) assert pytest.approx(expect_value, abs=1e-2) == calculate_value
def test_calculate_angle(): r1 = np.array([0, 0, -1]) r2 = np.array([0, 0, 0]) r3 = np.array([1, 0, 0]) expected_angle = 90 calculated_angle = molecool.calculate_angle(r1, r2, r3, True) assert expected_angle == calculated_angle
def test_calculate_angle(): r1 = np.array([1, 0, 0]) r2 = np.array([0, 0, 0]) r3 = np.array([0, 1, 0]) expected_value = 90 calculate_angle = molecool.calculate_angle(r1, r2, r3, degrees=True) assert pytest.approx(expected_value) == calculate_angle
def test_calculate_angle(): p1 = np.array([0, 0, -1]) p2 = np.array([0, 0, 0]) p3 = np.array([1, 0, 0]) expected_angle = 90.0 calculated_angle = molecool.calculate_angle(p1, p2, p3, degrees=True) assert pytest.approx(expected_angle) == calculated_angle
def test_calculate_angle(rA, rB, rC, expected_angle): #rA = np.array([0, 0, 1]) #rB = np.array([0, 0, 0]) #rC = np.array([0, 1, 0]) #expected_angle = 90. # in degrees calculated_angle = molecool.calculate_angle(rA, rB, rC, degrees=True) assert calculated_angle == expected_angle
def test_calculate_angle(): """Test the calculate_angle function""" r1 = np.array([1, 0, 0]) r2 = np.array([0, 0, 0]) r3 = np.array([0, 1, 0]) expected_value = 90 calculated_value = molecool.calculate_angle(r1, r2, r3, degrees=True) assert expected_value == calculated_value
def test_calculate_angle(): rA = np.array([0.0, 0.0, -1.0]) rB = np.array([0.0, 0.0, 0.0]) rC = np.array([1.0, 0.0, 0.0]) expected_angle = 90 calculated_angle = molecool.calculate_angle(rA, rB, rC, degrees=True) assert expected_angle == calculated_angle
def test_calculate_angle(): r1 = np.array([1, 0, 0]) r2 = np.array([0, 0, 0]) r3 = np.array([0, 1, 0]) #expected_angle = 3.14/2 expected_angle = 90 calculated_angle = molecool.calculate_angle(r1, r2, r3, degrees=True) assert pytest.approx(expected_angle, abs=1e-2) == calculated_angle
def test_calculate_angle(): rA = np.array([0, 0, -1]) rB = np.array([0, 0, 0]) rC = np.array([1, 0, 0]) expected_angle = 90 calculated_angle = molecool.calculate_angle(rA, rB, rC, degrees=True) # test: compare expected result and calculated result (from your code) assert pytest.approx(expected_angle) == calculated_angle
def test_calculate_angle(): theta1 = np.array([0, 0, -1]) theta2 = np.array([0, 0, 0]) theta3 = np.array([1, 0, 0]) expected_angle = 90 calculated_angle = molecool.calculate_angle(theta1, theta2, theta3, degrees=True) assert expected_angle == calculated_angle
def test_calculate_angle_many(p1, p2, p3, expected_angle): calculated_angle = molecool.calculate_angle(p1, p2, p3, degrees = True) assert pytest.approx(expected_angle, abs=1e-2) == calculated_angle
def test_calculate_angle_many(p1, p2, p3, expected_angle): calculated_angle = molecool.calculate_angle(p1, p2, p3, degrees=True) assert expected_angle == pytest.approx(calculated_angle), F'{calculated_angle} {expected_angle}'
def test_calculate_angle_radians(r1, r2, r3, expected_angle): calculated_value = molecool.calculate_angle(r1, r2, r3) expected_angle_radians = np.radians(expected_angle) assert pytest.approx(expected_angle_radians, abs=1e-2) == calculated_value
def test_calculate_angle(r1, r2, r3, expected_angle): """Test the calculate_angle function""" calculated_value = molecool.calculate_angle(r1, r2, r3, degrees=True) assert pytest.approx(expected_angle, abs=1e-2) == calculated_value
def test_calculate_angle_many(p1, p2, p3, expected_angle): calculated_value = molecool.calculate_angle(p1, p2, p3, True) assert pytest.approx(expected_angle) == calculated_value
def test_calculate_angle(r1, r2, r3, expected_angle): calculated_angle = round(molecool.calculate_angle(r1, r2, r3), 3) #The approx function is useful when you do numerical comparisons. assert pytest.approx(expected_angle, abs=1e-2) == calculated_angle
def test_calculate_angle_radians(p1, p2, p3, expected_angle): calculated_angle = molecool.calculate_angle(p1, p2, p3, degrees=False) assert pytest.approx(expected_angle) == calculated_angle
def test_calculate_angle(p1,p2,p3,expected_angle): calc_angle = molecool.calculate_angle(p1,p2,p3,degrees=True) assert calc_angle == pytest.approx(expected_angle)
def test_calculate_angle_many(pA, pB, pC, expected_angle): calculated_angle = molecool.calculate_angle(pA, pB, pC, degrees=True) assert pytest.approx(calculated_angle) == expected_angle
def test_calculated_angle_many(p1, p2, p3, expected_angle): calculated_angle = molecool.calculate_angle(p1, p2, p3, degrees=True) assert calculated_angle == expected_angle