# -*- coding: utf-8 -*-
"""Various interfaces to HITRAN."""
from urllib.request import urlopen
# Map Hitran to ARTS species names
_HITRAN_TO_ARTS_NAMES = {
"HC3N-1224": "HC3N-12224",
}
[docs]
def get_latest_molparam_map(molparam_txt_file=None):
""" Generates a version of latest_molparam_map used in hitran_species.cc
The variable is returned as a dictionary mapping species to a list of
isotopologues. Each isotopologue is represented as a list of four items:
[specnum, pos, isotopologue string, abundance]
1. specnum: HITRAN species number
2. pos: position index in HITRAN notation
3. isotopologue string: isotopologue identifier in HITRAN notation
4. abundance: natural abundance of the isotopologue
"""
def pos2char(ind):
""" Convert an isotoplogue index to a HITRAN char for that index """
if ind < 10:
return "'{}'".format(ind)
elif ind == 10:
return "'0'"
elif ind == 11:
return "'A'"
elif ind == 12:
return "'B'"
if molparam_txt_file:
molparam_txt = open(molparam_txt_file, 'r').read().split('\n')
else:
molparam_txt = urlopen("https://hitran.org/media/molparam.txt").read(
).decode("utf-8").split('\n')
molparam_txt.pop(0) # erase header
out = {}
for i in range(len(molparam_txt)):
line = molparam_txt[i]
vec = line.split()
if len(vec) == 0:
continue
elif len(vec) == 2:
spec = vec[0]
specnum = int(eval(vec[1]))
pos = 1
out[spec] = []
else:
out[spec].append([specnum, pos, vec[0], vec[1]])
pos += 1
return out
[docs]
def gen_latest_molparam_map(molparam_txt_file=None):
""" Generates a version of latest_molparam_map used in hitran_species.cc
The variable is simply printed to stream with print() as the intent is
to use this output in ARTS directly. ARTS does not use AFGL notation
internally, but species names that are different from Hitran are mapped to
ARTS names in the output.
"""
out = get_latest_molparam_map(molparam_txt_file)
print('const HitranMap molparam_map{')
for spec in out:
print('{', out[spec][0][0], ', { // ', spec, sep='')
for isot in out[spec]:
isoname = f"{spec}-{isot[2]}"
if isoname in _HITRAN_TO_ARTS_NAMES:
isoname = _HITRAN_TO_ARTS_NAMES[isoname]
s, i = isoname.split('-')
print('{', pos2char(
isot[1]), ', {Species::find_species_index("', s, '", "', i, '"), ', isot[3], '}},', sep='')
print('}},')
print('};')
[docs]
def gen_hitran_isotopologues(molparam_txt_file=None):
""" Generates a version of latest_molparam_map used in hitran_species.cc
The variable is simply printed to stream with print() as the intent is
to use this output in ARTS directly. ARTS does not use AFGL notation
internally, but species names that are different from Hitran are mapped to
ARTS names in the output.
"""
if molparam_txt_file:
molparam_txt = open(molparam_txt_file, 'r').read().split('\n')
else:
molparam_txt = urlopen("https://hitran.org/media/molparam.txt").read(
).decode("utf-8").split('\n')
molparam_txt.pop(0) # erase header
out = {}
for i in range(len(molparam_txt)):
line = molparam_txt[i]
vec = line.split()
if len(vec) == 0:
continue
elif len(vec) == 2:
spec = vec[0]
specnum = int(eval(vec[1]))
pos = 1
out[spec] = []
else:
out[spec].append([specnum, vec[0], vec[3], vec[4]])
pos += 1
print("/** AUTO-GENERATED FROM HITRAN **/")
for spec in out:
for isot in out[spec]:
isoname = f"{spec}-{isot[1]}"
if isoname in _HITRAN_TO_ARTS_NAMES:
isoname = _HITRAN_TO_ARTS_NAMES[isoname]
spec, isotnum = isoname.split('-')
print(f'IsotopeRecord("{spec}"_spec, "{isotnum}", {isot[3]}, {isot[2]}),')
print("/** AUTO-GENERATED FROM HITRAN **/")