def test_molecule_with_parens():
"""
Regression test for 2375
"""
tbl = CDMS.query_lines(232567.224454 * u.MHz,
234435.809432 * u.MHz,
molecule='H2C(CN)2',
parse_name_locally=True)
assert len(tbl) == 49
MC = np.ma.core.MaskedConstant()
for col, val in zip(
tbl[0].colnames,
(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
def test_complex_molecule_remote():
"""
Part of the regression test for 2409. See "test_hc7n" in the non-remote
tests. This version covers both the local name parsing and checks whether
there are upstream changes.
"""
tbl = CDMS.query_lines(200 * u.GHz,
230.755608 * u.GHz,
molecule='HC7N',
parse_name_locally=True)
assert isinstance(tbl, Table)
assert len(tbl) == 27
assert set(tbl.keys()) == colname_set
assert tbl['FREQ'][0] == 200693.406
assert tbl['ERR'][0] == 0.01
assert tbl['LGINT'][0] == -2.241
assert tbl['MOLWT'][0] == 99
assert tbl['GUP'][0] == 1071
assert tbl['Ju'][0] == 178
assert tbl['Jl'][0] == 177
assert tbl['vu'][0].mask
assert tbl['vl'][0].mask
assert tbl['Ku'][0].mask
assert tbl['Kl'][0].mask
assert tbl['F1u'][0].mask
assert tbl['F1l'][0].mask
assert tbl['Lab'][0]
def test_input_async():
response = CDMS.query_lines_async(min_frequency=100 * u.GHz,
max_frequency=1000 * u.GHz,
min_strength=-500,
molecule="028001 CO",
get_query_payload=True)
response = dict(response)
assert response['Molecules'] == "028001 CO"
np.testing.assert_almost_equal(response['MinNu'], 100.)
np.testing.assert_almost_equal(response['MaxNu'], 1000.)
def test_query():
response = MockResponseSpec('CO.data')
tbl = CDMS._parse_result(response)
assert isinstance(tbl, Table)
assert len(tbl) == 8
assert set(tbl.keys()) == set(['FREQ', 'ERR', 'LGINT', 'DR', 'ELO', 'GUP',
'TAG', 'QNFMT', 'Ju', 'Jl', "vu", "vl", "Ku", "Kl", "F", "name"])
assert tbl['FREQ'][0] == 115271.2018
assert tbl['ERR'][0] == .0005
assert tbl['LGINT'][0] == -7.1425
def test_input_multi():
response = CDMS.query_lines_async(min_frequency=500 * u.GHz,
max_frequency=1000 * u.GHz,
min_strength=-500,
molecule=r"^H[2D]O(-\d\d|)\+$",
parse_name_locally=True,
get_query_payload=True)
response = dict(response)
assert response['Molecules'] == '018505 H2O+'
np.testing.assert_almost_equal(response['MinNu'], 500.)
np.testing.assert_almost_equal(response['MaxNu'], 1000.)
def test_remote_regex():
tbl = CDMS.query_lines(min_frequency=500 * u.GHz,
max_frequency=600 * u.GHz,
min_strength=-500,
molecule=('028501 HC-13-N, v=0', '028502 H2CN'
'028503 CO, v=0'))
assert isinstance(tbl, Table)
assert len(tbl) == 557
assert set(tbl.keys()) == colname_set
assert set(tbl['name']) == {'H2CN', 'HC-13-N, v=0'}
def test_remote_300K():
tbl = CDMS.query_lines(
min_frequency=500 * u.GHz,
max_frequency=1000 * u.GHz,
min_strength=-500,
temperature_for_intensity=300, # default
molecule="018505 H2O+")
assert isinstance(tbl, Table)
assert len(tbl) == 116
assert set(tbl.keys()) == colname_set
assert tbl['FREQ'][0] == 505366.7875
assert tbl['ERR'][0] == 49.13
assert tbl['LGINT'][0] == -4.2182
def test_remote():
tbl = CDMS.query_lines(min_frequency=500 * u.GHz,
max_frequency=1000 * u.GHz,
min_strength=-500,
temperature_for_intensity=0,
molecule="018505 H2O+")
assert isinstance(tbl, Table)
assert len(tbl) == 116
# when 'temperature_for_intensity = 0', we use LGAIJ instead of LGINT
assert set(tbl.keys()) == (colname_set | {'LGAIJ'}) - {'LGINT'}
assert tbl['FREQ'][0] == 505366.7875
assert tbl['ERR'][0] == 49.13
assert tbl['LGAIJ'][0] == -4.3903
def test_remote():
tbl = CDMS.query_lines(min_frequency=500 * u.GHz,
max_frequency=1000 * u.GHz,
min_strength=-500,
temperature_for_intensity=0,
molecule="018505 H2O+")
assert isinstance(tbl, Table)
assert len(tbl) == 116
assert set(tbl.keys()) == set([
'FREQ', 'ERR', 'LGAIJ', 'DR', 'ELO', 'GUP', 'TAG', 'QNFMT', 'Ju', 'Jl',
"vu", "vl", "Ku", "Kl", "F", "name"
])
assert tbl['FREQ'][0] == 505366.7875
assert tbl['ERR'][0] == 49.13
assert tbl['LGAIJ'][0] == -4.3903
def test_remote_regex():
tbl = CDMS.query_lines(min_frequency=500 * u.GHz,
max_frequency=600 * u.GHz,
min_strength=-500,
molecule=('028501 HC-13-N, v=0', '028502 H2CN'
'028503 CO, v=0'))
assert isinstance(tbl, Table)
assert len(tbl) == 557
assert set(tbl.keys()) == set([
'FREQ', 'ERR', 'LGINT', 'DR', 'ELO', 'GUP', 'TAG', 'QNFMT', 'Ju', 'Jl',
"vu", "vl", "Ku", "Kl", "F", "name"
])
assert set(tbl['name']) == {'H2CN', 'HC-13-N, v=0'}