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HITRAN: Allow query of multiple molecules/isotopologues #1154

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HITRAN: Allow query of multiple molecules/isotopologues #1154

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45 changes: 41 additions & 4 deletions astroquery/hitran/core.py
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Original file line number Diff line number Diff line change
@@ -1,4 +1,6 @@
from astropy.table import Table
import itertools

from astropy.table import Table, Column
from astropy import units as u

from ..query import BaseQuery
Expand Down Expand Up @@ -152,6 +154,8 @@ def __init__(self, **kwargs):
super(HitranClass, self).__init__()

def _args_to_payload(self, molecule_number=1, isotopologue_number=1,
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make kwargs kwarg only

all_molecules=False,
all_isotopes=False,
min_frequency=None, max_frequency=None):
"""
Code to parse input and construct the payload dictionary.
Expand All @@ -176,12 +180,35 @@ def _args_to_payload(self, molecule_number=1, isotopologue_number=1,

payload = dict()

iso_id = str(self.ISO[(molecule_number,
isotopologue_number)][self.ISO_INDEX['id']])
if all_molecules:
molecule_number, _ = zip(*self.ISO.keys())
if all_isotopes:
_, isotopologue_number = zip(*self.ISO.keys())

try:
iter(molecule_number)
except TypeError:
molecule_number = itertools.cycle([molecule_number])
try:
iter(isotopologue_number)
except TypeError:
isotopologue_number = itertools.cycle([isotopologue_number])

if ((hasattr(isotopologue_number, '__len__') and
hasattr(molecule_number, '__len__') and
len(isotopologue_number) != len(molecule_number))):
raise ValueError("Must provide same number of molecule and "
"isotopologue IDs.")

iso_ids = []
for mnum,inum in zip(molecule_number, isotopologue_number):
iso_id = str(self.ISO[(mnum,
inum)][self.ISO_INDEX['id']])
iso_ids.append(iso_id)
# mol_name = self.ISO[(molecule_number,
# isotopologue_number)][self.ISO_INDEX['mol_name']]

payload['iso_ids_list'] = iso_id
payload['iso_ids_list'] = ",".join(map(str, iso_ids))

if min_frequency is not None:
min_frequency = min_frequency.to(u.cm**-1, u.spectral())
Expand Down Expand Up @@ -246,6 +273,16 @@ def _parse_result(self, response, verbose=False):

result = Table(rows=rows, names=formats.keys(), dtype=dtypes)

molnames = Column([self.ISO[(row['molec_id'], row['local_iso_id'])][4]
for row in result],
name='molname')
molfullnames = Column([self.ISO[(row['molec_id'], row['local_iso_id'])][1]
for row in result],
name='molisoname')

result.add_column(molnames)
result.add_column(molfullnames)

return result


Expand Down