Source code for CADETProcess.stationarity
"""
======================================================
Cyclic Stationarity (:mod:`CADETProcess.stationarity`)
======================================================
.. currentmodule:: CADETProcess.stationarity
Module to evaluate cyclic stationarity of succeeding cycles.
.. autosummary::
:toctree: generated/
RelativeArea
NRMSE
StationarityEvaluator
"""
from addict import Dict
import numpy as np
from CADETProcess import log
from CADETProcess.dataStructure import Structure, UnsignedFloat
from CADETProcess import SimulationResults
from CADETProcess.comparison import Comparator
from CADETProcess.processModel import Inlet
__all__ = ['RelativeArea', 'NRMSE', 'StationarityEvaluator']
class CriterionBase(Structure):
threshold = UnsignedFloat(default=1e-3)
def __str__(self):
return self.__class__.__name__
[docs]
class RelativeArea(CriterionBase):
"""Class to evaluate difference in relative area as stationarity critereon."""
pass
[docs]
class NRMSE(CriterionBase):
"""Class to evaluate NRMSE as stationarity critereon."""
pass
[docs]
class StationarityEvaluator(Comparator):
"""Class for checking two succeding chromatograms for stationarity."""
valid_criteria = ['RelativeArea', 'NRMSE']
def __init__(
self,
criteria=None,
log_level='WARNING',
*args, **kwargs):
"""Initialize the stationarity evaluator.
Parameters
----------
criteria : List[CriterionBase], optional
List of criteria for stationarity evaluation, by default None
log_level : str, optional
The logging level, by default 'WARNING'
args : list
Additional arguments.
kwargs : dict
Additional keyword arguments.
"""
super().__init__(*args, **kwargs)
self.logger = log.get_logger('StationarityEvaluator', level=log_level)
self._criteria = []
@property
def criteria(self):
"""list: List of criteria."""
return self._criteria
[docs]
def add_criterion(self, criterion):
"""Add a criterion to the list of criteria.
Parameters
----------
criterion : CriterionBase
Criterion to add to the list of criteria.
"""
if not isinstance(criterion, CriterionBase):
raise TypeError("Expected CriterionBase.")
self._criteria.append(criterion)
[docs]
def assert_stationarity(self, simulation_results):
"""Check stationarity of two succeeding cycles.
Parameters
----------
simulation_results : SimulationResults
Results of current cycle.
Returns
-------
bool
True if stationarity is reached. False otherwise.
Raises
------
TypeError
If simulation_results is not a SimulationResults object.
"""
self._metrics = []
criteria = Dict()
if not isinstance(simulation_results, SimulationResults):
raise TypeError('Expcected SimulationResults')
stationarity = True
for unit, solution in simulation_results.solution_cycles.items():
if isinstance(simulation_results.process.flow_sheet[unit], Inlet):
continue
solution_previous = solution.outlet[-2]
solution_this = solution.outlet[-1]
self.add_reference(solution_previous, update=True, smooth=False)
for c in self.criteria:
metric = self.add_difference_metric(
str(c), unit, f'{unit}.outlet', smooth=False
)
criteria[unit][str(c)]['threshold'] = c.threshold
diff = metric.evaluate(solution_this)
criteria[unit][str(c)]['metric'] = diff
if not np.all(diff <= c.threshold):
s = False
stationarity = s
else:
s = True
criteria[unit][str(c)]['stationarity'] = s
self.logger.debug(f'Stationrity criteria: {criteria}')
return stationarity