#!/usr/bin/env python

# -*- coding: utf-8 -*-

# check_upload.py

# Christian Hill, 30/8/11

# Department of Physics and Astronomy, University College London

# christian.hill@ucl.ac.uk

#

# A script to check the uploaded transitions and states can regenerate the

# original .par line from which they were created.

import os

import sys

HOME = os.getenv('HOME')

sys.path.append(os.path.join(HOME, 'research/VAMDC/HITRAN/django/HITRAN'))

os.environ['DJANGO_SETTINGS_MODULE'] = 'settings'

sys.path.append(os.path.join(HOME, 'research/HITRAN/pyHAWKS'))

from hitran_cases import *

from hitran_transition import HITRANTransition

from hitran_param import HITRANParam

from hitranmeta.models import Iso

from hitranlbl.models import Trans, Prm

import hitran_meta

molec_id = int(sys.argv[1])

isos = Iso.objects.filter(molecule__molecID=molec_id).all()

print len(isos),'isotopologues for molec', molec_id

transitions = Trans.objects.filter(iso__in=isos).all()

ntrans = len(transitions)

last_pc = 0

for i, trans in enumerate(transitions):

prms = trans.prm_set

#for prm_name in ('Sw', 'A', 'gamma_air', 'gamma_self', 'n_air',

# 'delta_air'):

# exec('trans.%s = prms.get(name="%s")' % (prm_name, prm_name))

Ierr = trans.par_line[127:133]

Iref = trans.par_line[133:145]

this_trans = HITRANTransition()

this_trans.par_line = trans.par_line

this_trans.molec_id = molec_id

this_trans.iso_id = trans.iso.isoID

this_trans.nu = HITRANParam(val=prms.get(name="nu").val,

ref=int(Iref[:2]), name='nu', ierr=int(Ierr[0]))

this_trans.Sw = HITRANParam(val=prms.get(name="Sw").val,

ref=int(Iref[2:4]), name='Sw', ierr=int(Ierr[1]), relative=True)

this_trans.A = HITRANParam(val=prms.get(name="A").val,

ref=int(Iref[2:4]), name='Sw', ierr=int(Ierr[1]), relative=True)

this_trans.gamma_air = HITRANParam(val=prms.get(name="gamma_air").val,

ref=int(Iref[4:6]), name='gamma_air', ierr=int(Ierr[2]),

relative=True)

try:

this_trans.gamma_self = HITRANParam(

val=prms.get(name="gamma_self").val,

ref=int(Iref[6:8]), name='gamma_self', ierr=int(Ierr[3]),

relative=True)

except Prm.DoesNotExist:

pass

this_trans.n_air = HITRANParam(val=prms.get(name="n_air").val,

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

if int(this_pc) != last_pc:

last_pc += 1

print '%d%%' % last_pc

print ntrans,'transitions checked out OK!'