update a remote test
@@ -67,12 +67,20 @@ def test_molecule_with_parens():
MC = np.ma.core.MaskedConstant()
for col, val in zip(tbl[0].colnames,
- (232588.7246, 0.2828, -4.1005, 3, '293.85404', 45, 66, 506, 303, 44, 14, 30, MC, MC, MC, 45, 13, 33, MC, MC, MC, 'H2C(CN)2', False)):
+ (232588.7246, 0.2828, -4.1005, 3, 293.8540, 445, 66, 506, 303, 44, 14, 30, MC, MC, MC, 45, 13, 33, MC, MC, MC, 'H2C(CN)2', False)):
if val is MC:
assert tbl[0][col].mask
else:
assert tbl[0][col] == val
+ # this test row includes degeneracy = 1225, which covers one of the weird letter-is-number parser cases
+ for col, val in zip(tbl[16].colnames,
+ (233373.369, 10.26, -4.8704, 3, 1229.0674, 1125, 66, 506, 303, 112, 10, 102, MC, MC, MC, 112, 9, 103, MC, MC, MC, 'H2C(CN)2', False),):
+ if val is MC:
+ assert tbl[16][col].mask
+ else:
+ assert tbl[16][col] == val
+
@pytest.mark.remote_data
def test_complex_molecule_remote():
