def run_drgep(model_file,
importance_coeffs,
ignition_conditions,
psr_conditions,
flame_conditions,
error_limit,
species_targets,
species_safe,
phase_name='',
threshold_upper=None,
num_threads=1,
path=''):
"""Main function for running DRGEP reduction.
Parameters
----------
model_file : str
Original model file
ignition_conditions : list of InputIgnition
List of autoignition initial conditions.
psr_conditions : list of InputPSR
List of PSR simulation conditions.
flame_conditions : list of InputLaminarFlame
List of laminar flame simulation conditions.
error_limit : float
Maximum allowable error level for reduced model
species_targets : list of str
List of target species names
species_safe : list of str
List of species names to always be retained
phase_name : str, optional
Optional name for phase to load from CTI file (e.g., 'gas').
threshold_upper : float, optional
Upper threshold (epsilon^*) to identify limbo species for sensitivity analysis
num_threads : int, optional
Number of CPU threads to use for performing simulations in parallel.
Optional; default = 1, in which the multiprocessing module is not used.
If 0, then use the available number of cores minus one. Otherwise,
use the specified number of threads.
path : str, optional
Optional path for writing files
Returns
-------
ReducedModel
Return reduced model and associated metadata
"""
solution = ct.Solution(model_file, phase_name)
assert species_targets, 'Need to specify at least one target species.'
# first, sample thermochemical data and generate metrics for measuring error
# (e.g, ignition delays). Also produce adjacency matrices for graphs, which
# will be used to produce graphs for any threshold value.
sampled_metrics, sampled_data = drgep.sample(model_file,
ignition_conditions,
phase_name=phase_name,
num_threads=num_threads,
path=path)
matrices = []
for state in sampled_data:
matrices.append(
drgep.create_drgep_matrix((state[0], state[1], state[2:]),
solution))
# For DRGEP, find the overall interaction coefficients for all species
# using the maximum over all the sampled states
# importance_coeffs = drgep.get_importance_coeffs(
# solution.species_names, species_targets, matrices
# )
# begin reduction iterations
logging.info('Beginning reduction loop')
logging.info(45 * '-')
logging.info('Threshold | Number of species | Max error (%)')
# make lists to store data
threshold_data = []
num_species_data = []
error_data = []
# start with detailed (starting) model
previous_model = reduce_model.ReducedModel(model=solution,
filename=model_file,
error=0.0)
first = True
error_current = 0.0
threshold = 0.01
threshold_increment = 0.01
while error_current <= error_limit:
reduced_model = reduce_drgep(model_file,
species_safe,
threshold,
importance_coeffs,
ignition_conditions,
sampled_metrics,
phase_name=phase_name,
previous_model=previous_model,
num_threads=num_threads,
path=path)
error_current = reduced_model.error
num_species = reduced_model.model.n_species
# reduce threshold if past error limit on first iteration
if first and error_current > error_limit:
error_current = 0.0
threshold /= 10
threshold_increment /= 10
if threshold <= 1e-6:
raise SystemExit(
'Threshold value dropped below 1e-6 without producing viable reduced model'
)
logging.info('Threshold value too high, reducing by factor of 10')
continue
logging.info(
f'{threshold:^9.2e} | {num_species:^17} | {error_current:^.2f}')
# store data
threshold_data.append(threshold)
num_species_data.append(num_species)
error_data.append(error_current)
threshold += threshold_increment
first = False
# cleanup files
if previous_model.model.n_species != reduced_model.model.n_species:
os.remove(reduced_model.filename)
previous_model = reduce_model.ReducedModel(
model=reduced_model.model,
filename=reduced_model.filename,
error=reduced_model.error,
limbo_species=reduced_model.limbo_species)
if reduced_model.error > error_limit:
threshold -= (2 * threshold_increment)
reduced_model = reduce_drgep(model_file,
species_safe,
threshold,
importance_coeffs,
ignition_conditions,
sampled_metrics,
phase_name=phase_name,
num_threads=num_threads,
path=path)
else:
soln2cti.write(reduced_model,
f'reduced_{reduced_model.model.n_species}.cti',
path=path)
if threshold_upper:
for sp in reduced_model.model.species_names:
if importance_coeffs[sp] < threshold_upper and (
sp not in species_safe):
reduced_model.limbo_species.append(sp)
logging.info(45 * '-')
logging.info('Reduction complete.')
logging.info(
f'Skeletal model: {reduced_model.model.n_species} species and '
f'{reduced_model.model.n_reactions} reactions.')
logging.info(f'Maximum error: {reduced_model.error:.2f}%')
logging.info('Final reduced model saved as ' + reduced_model.filename)
return threshold_data, num_species_data, error_data
def reduce_drgep(model_file,
species_safe,
threshold,
importance_coeffs,
ignition_conditions,
sampled_metrics,
phase_name='',
previous_model=None,
num_threads=1,
path=''):
"""Given a threshold and DRGEP coefficients, reduce the model and determine the error.
Parameters
----------
model_file : str
Filename for model being reduced
species_safe : list of str
List of species to always be retained
threshold : float
DRG threshold for trimming graph
importance_coeffs : dict
Dictionary with species and their overall interaction coefficients.
ignition_conditions : list of InputIgnition
List of autoignition initial conditions.
sampled_metrics: numpy.ndarray
Global metrics from original model used to evaluate error
phase_name : str, optional
Optional name for phase to load from CTI file (e.g., 'gas').
previous_model : ReducedModel, optional
Model produced at previous threshold level; used to avoid repeated work.
num_threads : int, optional
Number of CPU threads to use for performing simulations in parallel.
Optional; default = 1, in which the multiprocessing module is not used.
If 0, then use the available number of cores minus one. Otherwise,
use the specified number of threads.
path : str, optional
Optional path for writing files
Returns
-------
ReducedModel
Return reduced model and associated metadata
"""
solution = ct.Solution(model_file, phase_name)
species_removed = [
sp for sp in solution.species_names
if importance_coeffs[sp] < threshold and sp not in species_safe
]
if (previous_model and len(species_removed)
== solution.n_species - previous_model.model.n_species):
return previous_model
# Cut the exclusion list from the model.
reduced_model = reduce_model.trim(model_file,
species_removed,
f'reduced_{model_file}',
phase_name=phase_name)
reduced_model_filename = soln2cti.write(
reduced_model, f'reduced_{reduced_model.n_species}.cti', path=path)
reduced_model_metrics = sampling.sample_metrics(reduced_model_filename,
ignition_conditions,
phase_name=phase_name,
num_threads=num_threads,
path=path)
error = sampling.calculate_error(sampled_metrics, reduced_model_metrics)
return reduce_model.ReducedModel(model=reduced_model,
filename=reduced_model_filename,
error=error)