def get_state(stateID):
"""
Get the state with ID stateID - if this is greater than or equal to
stateID_offset (ie its ID is higher than the highest already in the
database), then it is a new state and we expect to find it in our
states[] list. If it is less than stateID_offset, we need to retrieve it
from the database.
"""
if stateID < stateID_offset:
state = State.objects.get(pk=stateID)
# map the Django State object to an instance of the appropriate
# CaseClass for this state
global_iso_id = state.iso_id
molec_id, local_iso_id = hitran_ids[global_iso_id]
CaseClass = hitran_meta.get_case_class(molec_id, local_iso_id)
return CaseClass(molec_id=molec_id, local_iso_id=local_iso_id,
global_iso_id=global_iso_id, E=state.energy,
g=state.g, s_qns=state.s_qns)
else:
return states[stateID - stateID_offset]
try:
this_trans.delta_air = HITRANParam(val=prms.get(name="delta_air").val,
ref=int(Iref[10:12]),
name='delta_air',
ierr=int(Ierr[5]))
except Prm.DoesNotExist:
pass
this_trans.Elower = trans.Elower
this_trans.gp = trans.gp
this_trans.gpp = trans.gpp
this_trans.multipole = trans.multipole
# grab the flag from the par_line
this_trans.flag = trans.par_line[145]
CaseClass = hitran_meta.get_case_class(this_trans.molec_id,
this_trans.iso_id)
this_trans.statep = CaseClass(molec_id=this_trans.molec_id,
iso_id=this_trans.iso_id,
E=trans.statep.energy,
g=trans.statep.g,
s_qns=trans.statep.s_qns)
this_trans.statepp = CaseClass(molec_id=this_trans.molec_id,
iso_id=this_trans.iso_id,
E=trans.statepp.energy,
g=trans.statepp.g,
s_qns=trans.statepp.s_qns)
this_trans.case_module = hitran_meta.get_case_module(
this_trans.molec_id, this_trans.iso_id)
if not this_trans.validate_as_par():
print this_trans.par_line, '\nfailed to validate! I produced:'
ref=int(Iref[8:10]), name='n_air', ierr=int(Ierr[4]),
relative=True)
try:
this_trans.delta_air = HITRANParam(val=prms.get(name="delta_air").val,
ref=int(Iref[10:12]), name='delta_air', ierr=int(Ierr[5]))
except Prm.DoesNotExist:
pass
this_trans.Elower = trans.Elower
this_trans.gp = trans.gp
this_trans.gpp = trans.gpp
this_trans.multipole = trans.multipole
# grab the flag from the par_line
this_trans.flag = trans.par_line[145]
CaseClass = hitran_meta.get_case_class(this_trans.molec_id,
this_trans.iso_id)
this_trans.statep = CaseClass(molec_id=this_trans.molec_id,
iso_id=this_trans.iso_id, E=trans.statep.energy,
g=trans.statep.g, s_qns=trans.statep.s_qns)
this_trans.statepp = CaseClass(molec_id=this_trans.molec_id,
iso_id=this_trans.iso_id, E=trans.statepp.energy,
g=trans.statepp.g, s_qns=trans.statepp.s_qns)
this_trans.case_module = hitran_meta.get_case_module(this_trans.molec_id,
this_trans.iso_id)
if not this_trans.validate_as_par():
print this_trans.par_line,'\nfailed to validate! I produced:'
print this_trans.get_par_str()
sys.exit(1)
i += 1
this_pc = float(i)/ntrans * 100
def upload_states(args, isos, cases_list):
"""
Read in, store, and upload the states to enter the database from the
.states file.
Arguments:
args: the processed command line arguments with the names of files to
use in uploading the data, the list of HITRAN molecule and isotopologue
IDs to resolve the global_iso_id to etc...
isos: a list of Iso objects, ordered by their local isotopologue ID
cases_list: a list of Case objects, where the index is the case_id (ie
cases_list[0] is None, cases_list[1] represents the dcs case etc...
Returns:
a list of the State objects uploaded.
"""
if args.dry_run:
vprint('[DRY RUN] Uploading states...')
else:
vprint('Uploading states...')
# the uploaded states will be stored in this list:
states = []
start_time = time.time()
for line in open(args.states_file, 'r'):
global_iso_id = int(line[:4])
# state energy
try:
E = float(line[5:15])
except (TypeError, ValueError):
# undefined energy for this state
E = None
# state degeneracy
try:
g = int(line[16:21])
except (TypeError, ValueError):
# undefined degeneracy for this state
g = None
# state quantum numbers as a string of ';' separated name=value pairs
s_qns = line[22:].strip()
if not s_qns:
# no quantum numbers resolved for this state
s_qns == None
# the native HITRAN IDs for molecule and isotopologue:
molec_id, local_iso_id = args.hitran_ids[global_iso_id]
# get the right Class to use to describe this state
CaseClass = hitran_meta.get_case_class(molec_id, local_iso_id)
# state is one of the hitran_case states (e.g. an HDcs object)
state = CaseClass(molec_id=molec_id, local_iso_id=local_iso_id,
global_iso_id=global_iso_id, E=E, g=g, s_qns=s_qns)
# retrieve the correct Iso object for this isotopologue
iso = isos[local_iso_id-1]
# this_state is a hitranlbl.State object for the MySQL database
this_state = State(iso=iso, energy=state.E, g=state.g,
s_qns=state.s_qns, qns_xml=state.get_qns_xml())
if not args.dry_run:
# if we're doing it for real, save the State just created
this_state.save()
states.append(this_state)
# now create the quantum numbers entries for this state
case = cases_list[state.__class__.caseID]
# loop over all the possible quantum number names for this case
# XXX this will fail to include all of the quantum numbers if
# the case does not have the right quantum numbers in its
# ordered_qn_list (e.g. asymcs currently only goes to v12...)
for qn_name in state.__class__.ordered_qn_list:
# get the value of this quantum number
qn_val = state.get(qn_name)
if qn_val is None:
# if the quantum number isn't defined, move to the next one
continue
# get any attribute metadata for this quantum number
qn_attr = state.serialize_qn_attrs(qn_name)
if qn_attr:
# strip the initial '#'
qn_attr = qn_attr[1:]
else:
qn_attr = None
# get the XML for this quantum number
xml = state.get_qn_xml(qn_name)
if not xml:
xml = None
# create the quantum number object ...
qn = Qns(case=case, state=this_state, qn_name=qn_name,
qn_val=str(qn_val), qn_attr=qn_attr, xml=xml)
if not args.dry_run:
# ... and save it to the database if we're not on a dry run
qn.save()
end_time = time.time()
vprint('%d states read in (%s)' % (len(states),
timed_at(end_time - start_time)))
return states
corrections_file = os.path.join(DATA_DIR, '%s.corrections' % filestem)
states = []
for line in open(states_file, 'r'):
global_iso_id = int(line[:4])
molec_id, local_iso_id = hitran_ids[global_iso_id]
try:
E = float(line[5:15])
except (TypeError, ValueError):
E = None
try:
g = int(line[16:21])
except (TypeError, ValueError):
g = None
s_qns = line[22:].strip()
CaseClass = hitran_meta.get_case_class(molec_id, local_iso_id, s_qns[15])
states.append(CaseClass(molec_id=molec_id, local_iso_id=local_iso_id,
global_iso_id=global_iso_id, E=E, g=g,
s_qns=s_qns))
print '%d states read in.' % (len(states))
def get_state(stateID):
"""
Get the state with ID stateID - if this is greater than or equal to
stateID_offset (ie its ID is higher than the highest already in the
database), then it is a new state and we expect to find it in our
states[] list. If it is less than stateID_offset, we need to retrieve it
from the database.
"""
if stateID < stateID_offset: