def get_unit_convert():
"""
extension: get unit conversion dictionary for sensitivity to each days emissions
input: None
output: dict ('units.<YYYYMMDD>': np.ndarray( shape_of( template.sense_emis ) )
notes: SensitivityData.emis units = CF/(ppm/s)
PhysicalAdjointData.emis units = CF/(mol/(s*m^2))
"""
global unit_key
#physical constants:
#molar weight of dry air (precision matches cmaq)
mwair = 28.9628
#convert proportion to ppm
ppm_scale = 1E6
#convert g to kg
kg_scale = 1E-3
unit_dict = {}
#all spcs have same shape, get from 1st
tmp_spc = ncf.get_attr(template.sense_emis, 'VAR-LIST').split()[0]
target_shape = ncf.get_variable(template.sense_emis, tmp_spc)[:].shape
#layer thickness constant between files
lay_sigma = list(ncf.get_attr(template.sense_emis, 'VGLVLS'))
#layer thickness measured in scaled pressure units
lay_thick = [
lay_sigma[i] - lay_sigma[i + 1] for i in range(len(lay_sigma) - 1)
]
lay_thick = np.array(lay_thick).reshape((1, len(lay_thick), 1, 1))
for date in dt.get_datelist():
met_file = dt.replace_date(cmaq_config.met_cro_3d, date)
#slice off any extra layers above area of interest
rhoj = ncf.get_variable(met_file, 'DENSA_J')[:, :len(lay_thick), ...]
#assert timesteps are compatible
assert (target_shape[0] - 1) >= (rhoj.shape[0] -
1), 'incompatible timesteps'
assert (target_shape[0] - 1) % (rhoj.shape[0] -
1) == 0, 'incompatible timesteps'
reps = (target_shape[0] - 1) // (rhoj.shape[0] - 1)
rhoj_interp = np.zeros(target_shape)
for r in range(reps):
frac = float(2 * r + 1) / float(2 * reps)
rhoj_interp[
r:-1:reps,
...] = (1 - frac) * rhoj[:-1, ...] + frac * rhoj[1:, ...]
rhoj_interp[-1, ...] = rhoj[-1, ...]
unit_array = (ppm_scale * kg_scale * mwair) / (rhoj_interp * lay_thick)
day_label = dt.replace_date(unit_key, date)
unit_dict[day_label] = unit_array
return unit_dict
def make_forcing():
"""put a block of forcing at:
- The second last time-step of the last day
- Only on the surface layer
- In the middle of the domain
- For every species
"""
nstep, nlay, nrow, ncol = ncf.get_variable(template.force,
spcs_list[0]).shape
for date in dt.get_datelist():
force = {
spc: np.zeros((
nstep,
nlay,
nrow,
ncol,
))
for spc in spcs_list
}
if date == dt.get_datelist()[-1]:
for arr in force.values():
trow, tcol = int(nrow / 3), int(ncol / 3)
arr[-2, 0, trow:2 * trow, tcol:2 * tcol] = 1.
f_file = dt.replace_date(cmaq.force_file, date)
ncf.create_from_template(template.force,
f_file,
var_change=force,
date=date,
overwrite=True)
return d.AdjointForcingData()
def get_variable(self, file_label, varname):
"""
extension: return an array of a single variable
input: string, string
output: numpy.ndarray
"""
err_msg = 'file_label {} not in file_details'.format(file_label)
assert file_label in self.file_data.keys(), err_msg
return ncf.get_variable(self.file_data[file_label]['actual'], varname)
def bwd_no_transport(adjoint_forcing):
"""mimic CMAQ_bwd with no transport.
assumes ALL files have a 1-hour timestep"""
#get nlays for force, sense & sense_emis
f_lay = ncf.get_variable(template.force, spcs_list[0]).shape[1]
s_lay = ncf.get_variable(template.sense_conc, spcs_list[0]).shape[1]
e_lay = ncf.get_variable(template.sense_emis, spcs_list[0]).shape[1]
#get icon for each species, init as 0.
nstep, _, row, col = ncf.get_variable(template.force, spcs_list[0]).shape
icon = {spc: np.zeros((
s_lay,
row,
col,
))
for spc in spcs_list}
for date in dt.get_datelist()[::-1]:
force = ncf.get_variable(dt.replace_date(cmaq.force_file, date),
spcs_list)
conc = {}
emis = {}
for spc in spcs_list:
bwd_arr = np.zeros((nstep, s_lay, row, col))
bwd_arr[-1, :, :, :] = icon[spc][:, :, :]
bwd_arr[:-1, :, :, :] = force[spc][1:, :s_lay, :, :]
s_arr = np.cumsum(bwd_arr[::-1, :, :, :], axis=0)[::-1, :, :, :]
icon[spc][:] = s_arr[0, :, :, :].copy()
conc[spc] = s_arr[:, :s_lay, :, :].copy()
emis[spc] = s_arr[:, :e_lay, :, :].copy() * float(tsec)
#write sensitivity files
c_file = dt.replace_date(cmaq.conc_sense_file, date)
e_file = dt.replace_date(cmaq.emis_sense_file, date)
ncf.create_from_template(template.sense_conc,
c_file,
var_change=conc,
date=date,
overwrite=True)
ncf.create_from_template(template.sense_emis,
e_file,
var_change=emis,
date=date,
overwrite=True)
return d.SensitivityData()
def prepare_model(physical_data):
"""
application: change resolution/formatting of physical data for input in forward model
input: PhysicalData
output: ModelInputData
"""
global unit_convert
if unit_convert is None:
unit_convert = get_unit_convert()
if inc_icon is True:
model_input_args = {'icon': {}}
#physical icon has no time dim, model input icon has time dim of len 1
for spcs, icon_array in physical_data.icon.items():
model_input_args['icon'][spcs] = icon_array.reshape(
(1, ) + icon_array.shape)
else:
model_input_args = {}
#all emis files & spcs for model_input use same NSTEP dimension, get it's size
emis_fname = dt.replace_date(template.emis, dt.start_date)
m_daysize = ncf.get_variable(emis_fname,
physical_data.spcs[0]).shape[0] - 1
dlist = dt.get_datelist()
p_daysize = float(physical_data.nstep) / len(dlist)
assert (p_daysize <
1) or (m_daysize % p_daysize
== 0), 'physical & model input emis TSTEP incompatible.'
emis_pattern = 'emis.<YYYYMMDD>'
for i, date in enumerate(dlist):
spcs_dict = {}
start = int(i * p_daysize)
end = int((i + 1) * p_daysize)
if start == end:
end += 1
for spcs_name in physical_data.spcs:
phys_data = physical_data.emis[spcs_name][start:end, ...]
if end < physical_data.nstep:
last_slice = physical_data.emis[spcs_name][end:end + 1, ...]
else:
last_slice = physical_data.emis[spcs_name][end - 1:end, ...]
mod_data = np.repeat(phys_data, m_daysize // (end - start), axis=0)
mod_data = np.append(mod_data, last_slice, axis=0)
spcs_dict[spcs_name] = mod_data * unit_convert
emis_argname = dt.replace_date(emis_pattern, date)
model_input_args[emis_argname] = spcs_dict
#may want to remove this line in future.
cmaq.wipeout_fwd()
return ModelInputData.create_new(**model_input_args)
def finite_diff(scale):
prior_phys = user.get_background()
unknowns = transform(prior_phys, d.UnknownData)
init_vector = unknowns.get_vector()
init_gradient = partial_adjoint(init_vector)
d.ModelOutputData().archive('init_conc')
pert_vector = make_perturbation(init_vector, scale)
pert_gradient = partial_adjoint(pert_vector)
d.ModelOutputData().archive('pert_conc')
d.AdjointForcingData().archive('force')
eps = 1e-6
if abs(pert_gradient -
init_gradient).sum() > eps * abs(pert_gradient).sum():
print "WARNING: pert & init gradients differ."
print "init gradient norm = {:}".format(np.linalg.norm(init_gradient))
print "pert gradient norm = {:}".format(np.linalg.norm(pert_gradient))
pert_diff = pert_vector - init_vector
sense_score = .5 * ((pert_diff * init_gradient).sum() +
(pert_diff * pert_gradient).sum())
force_score = 0.
iconc_file = os.path.join(archive_path, 'init_conc',
archive_defn.conc_file)
pconc_file = os.path.join(archive_path, 'pert_conc',
archive_defn.conc_file)
force_file = os.path.join(archive_path, 'force', archive_defn.force_file)
for date in dt.get_datelist():
iconc = ncf.get_variable(dt.replace_date(iconc_file, date), spcs_list)
pconc = ncf.get_variable(dt.replace_date(pconc_file, date), spcs_list)
force = ncf.get_variable(dt.replace_date(force_file, date), spcs_list)
c_diff = {s: pconc[s] - iconc[s] for s in spcs_list}
force_score += sum([(c_diff[s] * force[s]).sum() for s in spcs_list])
return sense_score, force_score
def get_kwargs_dict(cls):
"""
extension: get a dict that will work as kwarg input
input: None
output: { file_label : { spcs : np.ndarray(<zeros>) } }
"""
file_labels = get_filedict(cls.__name__).keys()
spcs = ncf.get_attr(template.force, 'VAR-LIST').split()
shape = ncf.get_variable(template.force, spcs[0]).shape
argdict = {}
for label in file_labels:
data = {spc: np.zeros(shape) for spc in spcs}
argdict[label] = data
return argdict
def obs_operator(model_output):
"""
application: simulate set of observations from output of the forward model
input: ModelOutputData
output: ObservationData
"""
ObservationData.assert_params()
val_list = [o for o in ObservationData.offset_term]
for ymd, ilist in ObservationData.ind_by_date.items():
conc_file = model_output.file_data['conc.' + ymd]['actual']
var_dict = ncf.get_variable(conc_file, ObservationData.spcs)
for i in ilist:
for coord, weight in ObservationData.weight_grid[i].items():
if str(coord[0]) == ymd:
step, lay, row, col, spc = coord[1:]
conc = var_dict[spc][step, lay, row, col]
val_list[i] += (weight * conc)
return ObservationData(val_list)
def convert_unc( unc, val ):
"""
convert the uncertainty object provided into a valid dictionary
uncertainty object is either a string (filepath), dictionary (of spcs) or a scalar
"""
spc_list = val.keys()
arr_shape = val.values()[0].shape
if str(unc) == unc:
try:
unc_var = ncf.get_variable( unc, spc_list )
except:
print 'uncertainty file is not valid'
raise
for spc in spc_list:
arr = unc_var[ spc ]
msg = 'unc file has data with wrong shape, needs {:}'.format( str(arr_shape) )
assert arr.shape == arr_shape, msg
unc_dict = { s:unc_var[s] for s in spc_list }
elif type(unc) == dict:
msg = 'uncertainty dictionary is missing needed spcs.'
assert set( spc_list ).issubset( unc.keys() ), msg
unc_dict = {}
for spc in spc_list:
val = unc[ spc ]
unc_dict[ spc ] = np.zeros(arr_shape) + val
else:
try:
val = float( unc )
except:
print 'invalid uncertainty parameter'
raise
unc_dict = { s:(np.zeros(arr_shape)+val) for s in spc_list }
for spc in spc_list:
arr = unc_dict.pop( spc )
assert (arr > 0).all(), 'uncertainty values must be greater than 0.'
unc_dict[ spc + '_UNC' ] = arr
return unc_dict
def fwd_no_transport(model_input):
"""mimic CMAQ_fwd with no transport.
assumes ALL files have a 1-hour timestep"""
#get nlays conc
c_lay = ncf.get_variable(template.conc, spcs_list[0]).shape[1]
#get nlays emis
e_lay = ncf.get_variable(dt.replace_date(template.emis, dt.start_date),
spcs_list[0]).shape[1]
#get icon for each species
icon = ncf.get_variable(cmaq.icon_file, spcs_list)
#get constants to convert emission units
mwair = 28.9628
ppm_scale = 1E6
kg_scale = 1E-3
srcfile = dt.replace_date(cmaq.met_cro_3d, dt.start_date)
xcell = ncf.get_attr(srcfile, 'XCELL')
ycell = ncf.get_attr(srcfile, 'YCELL')
lay_sigma = list(ncf.get_attr(srcfile, 'VGLVLS'))
lay_thick = [lay_sigma[i] - lay_sigma[i + 1] for i in range(e_lay)]
lay_thick = np.array(lay_thick).reshape((1, e_lay, 1, 1))
emis_scale = (ppm_scale * kg_scale * mwair) / (lay_thick * xcell * ycell
) # * RRHOJ
#run fwd
for date in dt.get_datelist():
conc = ncf.get_variable(template.conc, spcs_list)
emis = ncf.get_variable(dt.replace_date(cmaq.emis_file, date),
spcs_list)
rhoj = ncf.get_variable(dt.replace_date(cmaq.met_cro_3d, date),
"DENSA_J")
for spc, c_arr in conc.items():
c_arr[:, :, :, :] = icon[spc][:, :c_lay, :, :]
e_arr = emis_scale * emis[spc][:-1, ...]
e_arr = 2 * tsec * e_arr / (rhoj[:-1, :e_lay, :, :] +
rhoj[1:, :e_lay, :, :])
c_arr[1:, :e_lay, :, :] += np.cumsum(e_arr, axis=0)
#update icon for next day
icon[spc] = c_arr[-1:, ...]
#write conc file
c_file = dt.replace_date(cmaq.conc_file, date)
ncf.create_from_template(template.conc,
c_file,
var_change=conc,
date=date,
overwrite=True)
return d.ModelOutputData()
def map_sense(sensitivity):
"""
application: map adjoint sensitivities to physical grid of unknowns.
input: SensitivityData
output: PhysicalAdjointData
"""
global unit_convert_dict
global unit_key
if unit_convert_dict is None:
unit_convert_dict = get_unit_convert()
#check that:
#- date_handle dates exist
#- PhysicalAdjointData params exist
#- template.emis & template.sense_emis are compatible
#- template.icon & template.sense_conc are compatible
datelist = dt.get_datelist()
PhysicalAdjointData.assert_params()
#all spcs use same dimension set, therefore only need to test 1.
test_spc = PhysicalAdjointData.spcs[0]
test_fname = dt.replace_date(template.emis, dt.start_date)
mod_shape = ncf.get_variable(test_fname, test_spc).shape
#phys_params = ['tsec','nstep','nlays_icon','nlays_emis','nrows','ncols','spcs']
#icon_dict = { spcs: np.ndarray( nlays_icon, nrows, ncols ) }
#emis_dict = { spcs: np.ndarray( nstep, nlays_emis, nrows, ncols ) }
#create blank constructors for PhysicalAdjointData
p = PhysicalAdjointData
if inc_icon is True:
icon_shape = (
p.nlays_icon,
p.nrows,
p.ncols,
)
icon_dict = {spc: np.zeros(icon_shape) for spc in p.spcs}
emis_shape = (
p.nstep,
p.nlays_emis,
p.nrows,
p.ncols,
)
emis_dict = {spc: np.zeros(emis_shape) for spc in p.spcs}
del p
#construct icon_dict
if inc_icon is True:
icon_label = dt.replace_date('conc.<YYYYMMDD>', datelist[0])
icon_fname = sensitivity.file_data[icon_label]['actual']
icon_vars = ncf.get_variable(icon_fname, icon_dict.keys())
for spc in PhysicalAdjointData.spcs:
data = icon_vars[spc][0, :, :, :]
ilays, irows, icols = data.shape
msg = 'conc_sense and PhysicalAdjointData.{} are incompatible'
assert ilays >= PhysicalAdjointData.nlays_icon, msg.format(
'nlays_icon')
assert irows == PhysicalAdjointData.nrows, msg.format('nrows')
assert icols == PhysicalAdjointData.ncols, msg.format('ncols')
icon_dict[spc] = data[
0:PhysicalAdjointData.nlays_icon, :, :].copy()
p_daysize = float(24 * 60 * 60) / PhysicalAdjointData.tsec
emis_pattern = 'emis.<YYYYMMDD>'
for i, date in enumerate(datelist):
label = dt.replace_date(emis_pattern, date)
sense_fname = sensitivity.file_data[label]['actual']
sense_data_dict = ncf.get_variable(sense_fname,
PhysicalAdjointData.spcs)
start = int(i * p_daysize)
end = int((i + 1) * p_daysize)
if start == end:
end += 1
for spc in PhysicalAdjointData.spcs:
unit_convert = unit_convert_dict[dt.replace_date(unit_key, date)]
sdata = sense_data_dict[spc][:] * unit_convert
sstep, slay, srow, scol = sdata.shape
#recast to match mod_shape
mstep, mlay, mrow, mcol = mod_shape
msg = 'emis_sense and ModelInputData {} are incompatible.'
assert ((sstep - 1) >=
(mstep - 1)) and ((sstep - 1) %
(mstep - 1) == 0), msg.format('TSTEP')
assert slay >= mlay, msg.format('NLAYS')
assert srow == mrow, msg.format('NROWS')
assert scol == mcol, msg.format('NCOLS')
sense_arr = sdata[:-1, :mlay, :, :]
model_arr = sense_arr.reshape(
(mstep - 1, -1, mlay, mrow, mcol)).sum(axis=1)
#adjoint prepare_model
pstep = end - start
play = PhysicalAdjointData.nlays_emis
prow = PhysicalAdjointData.nrows
pcol = PhysicalAdjointData.ncols
msg = 'ModelInputData and PhysicalAdjointData.{} are incompatible.'
assert ((mstep - 1) >=
(pstep)) and ((mstep - 1) %
(pstep) == 0), msg.format('nstep')
assert mlay >= play, msg.format('nlays_emis')
assert mrow == prow, msg.format('nrows')
assert mcol == pcol, msg.format('ncols')
model_arr = model_arr[:, :play, :, :]
phys_arr = model_arr.reshape(
(pstep, -1, play, prow, pcol)).sum(axis=1)
emis_dict[spc][start:end, ...] += phys_arr.copy()
if inc_icon is False:
icon_dict = None
return PhysicalAdjointData(icon_dict, emis_dict)
def from_file(cls, filename):
"""
extension: create a PhysicalData instance from a file
input: user-defined
output: PhysicalData
eg: prior_phys = datadef.PhysicalData.from_file( "saved_prior.data" )
"""
daysec = 24 * 60 * 60
unc = lambda spc: spc + '_UNC'
#get all data/parameters from file
sdate = str(ncf.get_attr(filename, 'SDATE'))
edate = str(ncf.get_attr(filename, 'EDATE'))
tstep = ncf.get_attr(filename, 'TSTEP')
day, step = int(tstep[0]), int(tstep[1])
tsec = daysec * day + 3600 * (step // 10000) + 60 * (
(step // 100) % 100) + (step) % 100
spcs_list = ncf.get_attr(filename, 'VAR-LIST').split()
unc_list = [unc(spc) for spc in spcs_list]
if inc_icon is True:
icon_dict = ncf.get_variable(filename, spcs_list, group='icon')
icon_unc = ncf.get_variable(filename, unc_list, group='icon')
emis_dict = ncf.get_variable(filename, spcs_list, group='emis')
emis_unc = ncf.get_variable(filename, unc_list, group='emis')
for spc in spcs_list:
if inc_icon is True:
icon_unc[spc] = icon_unc.pop(unc(spc))
emis_unc[spc] = emis_unc.pop(unc(spc))
#ensure parameters from file are valid
msg = 'invalid start date'
assert sdate == dt.replace_date('<YYYYDDD>', dt.start_date), msg
msg = 'invalid end date'
assert edate == dt.replace_date('<YYYYDDD>', dt.end_date), msg
emis_shape = [e.shape for e in emis_dict.values()]
for eshape in emis_shape[1:]:
assert eshape == emis_shape[
0], 'all emis spcs must have the same shape.'
estep, elays, erows, ecols = emis_shape[0]
if inc_icon is True:
icon_shape = [i.shape for i in icon_dict.values()]
for ishape in icon_shape[1:]:
assert ishape == icon_shape[
0], 'all icon spcs must have the same shape.'
ilays, irows, icols = icon_shape[0]
assert irows == erows, 'icon & emis must match rows.'
assert icols == ecols, 'icon & emis must match columns.'
assert max(daysec, tsec) % min(
daysec, tsec
) == 0, 'tsec must be a factor or multiple of No. seconds in a day.'
assert (tsec >= daysec) or (
estep %
(daysec // tsec) == 0), 'nstep must cleanly divide into days.'
for spc in spcs_list:
msg = 'Uncertainty values are invalid for this data.'
if inc_icon is True:
assert icon_unc[spc].shape == icon_dict[spc].shape, msg
assert (icon_unc[spc] > 0).all(), msg
assert emis_unc[spc].shape == emis_dict[spc].shape, msg
assert (emis_unc[spc] > 0).all(), msg
#assign new param values.
par_name = [
'tsec', 'nstep', 'nlays_emis', 'nrows', 'ncols', 'spcs', 'emis_unc'
]
par_val = [tsec, estep, elays, erows, ecols, spcs_list, emis_unc]
par_mutable = ['emis_unc']
if inc_icon is True:
par_name += ['nlays_icon', 'icon_unc']
par_val += [ilays, icon_unc]
par_mutable += ['icon_unc']
for name, val in zip(par_name, par_val):
old_val = getattr(cls, name)
if old_val is not None:
#param already defined, ensure no clash.
if name in par_mutable:
#parameter is mutable, affect applied globally
msg = 'Any change to PhysicalAbstractData.{} is applied globally!'.format(
name)
logger.warn(msg)
else:
msg = 'cannot change PhysicalAbstractData.{}'.format(name)
assert np.array_equal(old_val, val), msg
#set this abstract classes attribute, not calling child!
setattr(PhysicalAbstractData, name, val)
if inc_icon is False:
icon_dict = None
return cls(icon_dict, emis_dict)
# PhysicalData tstep must fit into model days
assert max(tsec, daysec) % min(tsec, daysec) == 0, 'tstep must fit into days'
assert len(
dt.get_datelist()) * daysec % tsec == 0, 'tstep must fit into model length'
# convert emis-file data into needed PhysicalData format
nrow = int(ncf.get_attr(efile, 'NROWS'))
ncol = int(ncf.get_attr(efile, 'NCOLS'))
xcell = float(ncf.get_attr(efile, 'XCELL'))
ycell = float(ncf.get_attr(efile, 'YCELL'))
emis_dict = {spc: [] for spc in spc_list}
cell_area = xcell * ycell
for date in dt.get_datelist():
efile = dt.replace_date(cmaq_config.emis_file, date)
edict = ncf.get_variable(efile, spc_list)
for spc in spc_list:
#get data and convert unit (mol/(s*cell) to mol/(s*m**2)
data = edict[spc][:-1, :emis_nlay, :, :] / cell_area
emis_dict[spc].append(data)
tot_nstep = len(dt.get_datelist()) * daysec // tsec
for spc in spc_list:
data = emis_dict[spc]
data = np.concatenate(data, axis=0)
data = data.reshape((
tot_nstep,
-1,
emis_nlay,
nrow,
ncol,
cmaq_config.avg_conc_spcs = ' '.join(conc_spcs)
if str(cmaq_config.force_lays).lower() == 'template':
force_lay = int(ncf.get_attr(icon_file, 'NLAYS'))
cmaq_config.force_lays = str(force_lay)
if str(cmaq_config.sense_emis_lays).lower() == 'template':
sense_lay = int(ncf.get_attr(icon_file, 'NLAYS'))
cmaq_config.sense_emis_lays = str(sense_lay)
# generate sample files by running 1 day of cmaq (fwd & bwd)
cmaq_handle.wipeout_fwd()
cmaq_handle.run_fwd_single(dt.start_date, is_first=True)
# make force file with same attr as conc and all data zeroed
conc_spcs = ncf.get_attr(conc_file, 'VAR-LIST').split()
conc_data = ncf.get_variable(conc_file, conc_spcs)
force_data = {k: np.zeros(v.shape) for k, v in conc_data.items()}
ncf.create_from_template(conc_file, force_file, force_data)
cmaq_handle.run_bwd_single(dt.start_date, is_first=True)
# create record for icon & emis files
fh.ensure_path(os.path.dirname(template.icon))
ncf.copy_compress(icon_file, template.icon)
for date in dt.get_datelist():
emis_src = dt.replace_date(cmaq_config.emis_file, date)
emis_dst = dt.replace_date(template.emis, date)
fh.ensure_path(os.path.dirname(emis_dst))
ncf.copy_compress(emis_src, emis_dst)
# create template for conc, force & sense files
fh.ensure_path(os.path.dirname(template.conc))
