#################################################################################
# The Institute for the Design of Advanced Energy Systems Integrated Platform
# Framework (IDAES IP) was produced under the DOE Institute for the
# Design of Advanced Energy Systems (IDAES).
#
# Copyright (c) 2018-2024 by the software owners: The Regents of the
# University of California, through Lawrence Berkeley National Laboratory,
# National Technology & Engineering Solutions of Sandia, LLC, Carnegie Mellon
# University, West Virginia University Research Corporation, et al.
# All rights reserved. Please see the files COPYRIGHT.md and LICENSE.md
# for full copyright and license information.
#################################################################################
"""
Tool to interrogate IDAES flowsheets and list the reaction properties
required to simulate it.
"""
import sys
# Import Pyomo libraries
from pyomo.environ import Set, Var, units as pyunits
# Import IDAES cores
from idaes.core import (
declare_process_block_class,
MaterialFlowBasis,
ReactionParameterBlock,
ReactionBlockDataBase,
ReactionBlockBase,
UnitModelBlockData,
)
import idaes.logger as idaeslog
# Some more information about this module
__author__ = "Andrew Lee"
# Set up logger
_log = idaeslog.getLogger(__name__)
[docs]
@declare_process_block_class("ReactionInterrogatorBlock")
class ReactionInterrogatorData(ReactionParameterBlock):
"""
Interrogator Parameter Block Class
This class contains the methods and attributes for recording and displaying
the reaction properties required by the flowsheet.
"""
[docs]
def build(self):
"""
Callable method for Block construction.
"""
super(ReactionInterrogatorData, self).build()
self._reaction_block_class = InterrogatorReactionBlock
# List of valid phases in property package
p_list = []
for p in self.config.property_package.phase_list:
p_list.append(p)
self.phase_list = Set(initialize=p_list)
# Component list - a list of component identifiers
c_list = []
for j in self.config.property_package.component_list:
c_list.append(j)
self.component_list = Set(initialize=c_list)
# Set up dict to record property calls
self.required_properties = {}
# Dummy reaction definition
# Reaction Index
self.rate_reaction_idx = Set(initialize=["R1"])
# Reaction Stoichiometry - fake the dict with all 1's
self.rate_reaction_stoichiometry = {}
for p in p_list:
for j in c_list:
self.rate_reaction_stoichiometry[("R1", p, j)] = 1
[docs]
def list_required_properties(self):
"""
Method to list all reaction properties required by the flowsheet.
Args:
None
Returns:
A list of properties required
"""
return list(self.required_properties)
[docs]
def list_models_requiring_property(self, prop):
"""
Method to list all models in the flowsheet requiring the given
property.
Args:
prop : the property of interest
Returns:
A list of unit model names which require prop
"""
try:
return self.required_properties[prop]
except KeyError:
raise KeyError(
"Property {} does not appear in required_properties. "
"Please check the spelling of the property that you are "
"interested in.".format(prop)
)
[docs]
def list_properties_required_by_model(self, model):
"""
Method to list all reaction properties required by a given unit model.
Args:
model : the unit model of interest. Can be given as either a model
component or the unit name as a string
Returns:
A list of reaction properties required by model
"""
prop_list = []
if not isinstance(model, str):
model = model.name
for k, v in self.required_properties.items():
if model in v:
prop_list.append(k)
if len(prop_list) < 1:
raise ValueError(
"Model {} does not appear in the flowsheet. Please check "
"the spelling of the model provided."
)
else:
return prop_list
[docs]
def print_required_properties(self, ostream=None):
"""
Method to print a summary of the reaction properties required by the
flowsheet.
Args:
ostream : output stream to print to. If not provided will print to
sys.stdout
Returns:
None
"""
if ostream is None:
ostream = sys.stdout
# Write header
max_str_length = 74
tab = " " * 4
ostream.write("\n" + "=" * max_str_length + "\n")
ostream.write("Reaction Property Interrogator Summary" + "\n")
ostream.write(
"\n"
+ "The Flowsheet requires the following reaction properties "
+ "(times required):"
+ "\n"
+ "\n"
)
for k, v in self.required_properties.items():
lead_str = tab + k
trail_str = str(len(v))
mid_str = " " * (max_str_length - len(lead_str) - len(trail_str))
ostream.write(lead_str + mid_str + trail_str + "\n")
ostream.write(
"\n"
+ "Note: User constraints may require additional properties "
+ "which are not"
+ "\n"
+ "reported here."
+ "\n"
)
[docs]
def print_models_requiring_property(self, prop, ostream=None):
"""
Method to print a summary of the models in the flowsheet requiring a
given property.
Args:
prop : the property of interest.
ostream : output stream to print to. If not provided will print to
sys.stdout
Returns:
None
"""
if ostream is None:
ostream = sys.stdout
tab = " " * 4
ostream.write("\n")
ostream.write(
f"The following models in the Flowsheet " f"require {prop}:" + "\n"
)
for m in self.required_properties[prop]:
ostream.write(tab + m + "\n")
[docs]
def print_properties_required_by_model(self, model, ostream=None):
"""
Method to print a summary of the reaction properties required by
a given unit model.
Args:
model : the unit model of interest.
ostream : output stream to print to. If not provided will print to
sys.stdout
Returns:
None
"""
if not isinstance(model, str):
model = model.name
if ostream is None:
ostream = sys.stdout
tab = " " * 4
ostream.write("\n")
ostream.write(
f"The following reaction properties are required by "
f"model {model}:" + "\n"
)
for m in self.list_properties_required_by_model(model):
ostream.write(tab + m + "\n")
class _InterrogatorReactionBlock(ReactionBlockBase):
"""
This Class contains methods which should be applied to Reaction Blocks as a
whole, rather than individual elements of indexed Reaction Blocks.
"""
def initialize(blk, *args, **kwargs):
"""
Dummy initialization routine, This will raise an TypeError if a user
tries to initialize a model using the Interrogator Reaction Package
and tell them that the model cannot be solved.
"""
raise TypeError(
"Models constructed using the Reaction Interrogator package "
"cannot be used to solve a flowsheet. Please rebuild your "
"flowsheet using a valid reaction package."
)
@declare_process_block_class(
"InterrogatorReactionBlock", block_class=_InterrogatorReactionBlock
)
class InterrogatorReactionBlockData(ReactionBlockDataBase):
"""
A dummy reaction block for interrogating flowsheets and recording reaction
properties called for during construction.
"""
def build(self):
"""
Callable method for Block construction
"""
super(InterrogatorReactionBlockData, self).build()
# Add dummy vars for returning expressions
self._dummy_var = Var(initialize=1)
self._dummy_var_phase = Var(self.params.phase_list, initialize=1)
self._dummy_var_comp = Var(self.params.component_list, initialize=1)
self._dummy_var_phase_comp = Var(
self.params.phase_list, self.params.component_list, initialize=1
)
self._dummy_reaction_idx = Var(self.params.rate_reaction_idx, initialize=1)
# Set default values for required attributes so construction doesn't fail
def get_reaction_rate_basis(b):
return MaterialFlowBasis.molar
def __getattr__(self, prop):
"""
Overload getattr to log each call for an unknown attribute, assuming
these are all properties.
Then, return a dummy variable with the correct indexing set.
"""
# Log call
self._log_call(prop)
# Return dummy var
if prop in ["reaction_rate", "dh_rxn"]:
return self._dummy_reaction_idx
elif prop.endswith("_phase_comp"):
return self._dummy_var_phase_comp
elif prop.endswith("_phase"):
return self._dummy_var_phase
elif prop.endswith("_comp"):
return self._dummy_var_comp
else:
return self._dummy_var
def _log_call(self, prop):
"""
Method to log calls for properties in required_properties dict
"""
# Get the required_properties dict from parameter block
prop_dict = self.params.required_properties
# Get name of parent unit to record in required_properties
name = self._get_parent_unit_name()
try:
# If name is not listed for current property, add to list
if name not in prop_dict[prop]:
prop_dict[prop].append(name)
except KeyError:
# If a KeyError occurs, it means property has not been logged
# before, so add new entry to dict
prop_dict[prop] = [name]
def _get_parent_unit_name(self):
"""
Method to find the parent unit of the current StateBlock (if one
exists) and return this so it can be logged as in required_properties.
If current StateBlock has no parent unit, it is a stand-alone
StateBlock, so log the name of this instead.
"""
# Start with current block (i.e. a StateBlock)
parent = self
# Search up the parent tree until we find a UnitModel or top of tree
while True:
if isinstance(parent, UnitModelBlockData):
# If parent is a UnitModel, we have found our target
# Return parent name
return parent.name
else:
if parent.parent_block() is None:
# Check if the parent object has no parent, i.e. is top of
# tree. If so, we are dealling with a stand-alone
# StateBlock.
# Return name of parent_component to strip indices
return self.parent_component().name
else:
# Otherwise continue searching up tree
parent = parent.parent_block()
