#################################################################################
# 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.
#################################################################################
"""
Base for IDAES process model objects.
"""
# TODO: Missing docstrings
# pylint: disable=missing-function-docstring
# TODO: Look into if this is necessary
# pylint: disable=protected-access
import sys
import logging
import textwrap
from enum import Enum
from pandas import DataFrame
from pyomo.core.base.block import BlockData
from pyomo.common.formatting import tabular_writer
from pyomo.environ import Block
from pyomo.gdp import Disjunct
from pyomo.common.config import ConfigBlock
from idaes.core.base.process_block import declare_process_block_class
from idaes.core.initialization import BlockTriangularizationInitializer
from idaes.core.util.exceptions import (
ConfigurationError,
DynamicError,
PropertyPackageError,
)
from idaes.core.util.tables import stream_table_dataframe_to_string
from idaes.core.util.model_statistics import (
degrees_of_freedom,
number_variables,
number_activated_constraints,
number_activated_blocks,
)
from idaes.core.util.units_of_measurement import report_quantity
# Some more information about this module
__author__ = "John Eslick, Qi Chen, Andrew Lee"
__all__ = ["ProcessBlockData"]
useDefault = object()
# Set up logger
_log = logging.getLogger(__name__)
# Enumerate options for material flow basis
class MaterialFlowBasis(Enum):
"""
Material flow basis Enum
"""
molar = 0
mass = 1
other = 2
[docs]@declare_process_block_class("ProcessBaseBlock")
class ProcessBlockData(BlockData):
"""
Base class for most IDAES process models and classes.
The primary purpose of this class is to create the local config block to
handle arguments provided by the user when constructing an object and to
ensure that these arguments are stored in the config block.
Additionally, this class contains a number of methods common to all IDAES
classes.
"""
CONFIG = ConfigBlock("ProcessBlockData", implicit=False)
# Set default initializer
default_initializer = BlockTriangularizationInitializer
def __init__(self, component):
"""
Initialize a ProcessBlockData object.
Args:
component(Block): container Block instance to which this BlockData
belongs.
Returns:
(ProcessBlockData): A new instance
"""
super(ProcessBlockData, self).__init__(component=component)
self._pb_configured = False
[docs] def build(self):
"""
The build method is called by the default ProcessBlock rule. If a rule
is specified other than the default it is important to call
ProcessBlockData's build method to put information from the "default"
and "initialize" arguments to a ProcessBlock derived class into the
BlockData object's ConfigBlock.
The build method should usually be overloaded in a subclass derived
from ProcessBlockData. This method would generally add Pyomo components
such as variables, expressions, and constraints to the object. It is
important for build() methods implemented in derived classes to call
build() from the super class.
Args:
None
Returns:
None
"""
self._get_config_args()
# Add initialization order list, and populate with current model
self.initialization_order = [self]
# This is a dict to store default property scaling factors. They are
# defined in the parameter block to provide a universal default for
# quantities in a particular kind of state block. For example, you can
# set flow scaling once instead of for every state block. Some of these
# may be left for the user to set and some may be defined in a property
# module where reasonable defaults can be defined a priori. See
# set_default_scaling, get_default_scaling, and unset_default_scaling
self._default_scaling_factors = {}
@property
def default_scaling_factors(self):
"""
Dict of default scaling factors for components in model
"""
return self._default_scaling_factors
@property
def default_scaling_factor(self):
# Backwards compatibility for name change
# TODO: Deprecate once v2.0 is released
return self._default_scaling_factors
[docs] def set_default_scaling(self, attribute: str, value: float, index: str = None):
"""Set a default scaling factor for a property.
Args:
attribute: property attribute name
value: default scaling factor
index: for indexed properties, if this is not provided the default
scaling factor applies to all indexed elements where specific
indexes are not specified.
Returns:
None
"""
self._default_scaling_factors[(attribute, index)] = value
[docs] def unset_default_scaling(self, attribute: str, index: str = None):
"""Remove a previously set default value
Args:
attribute: property attribute name
index: optional index for indexed properties
Returns:
None
"""
try:
del self._default_scaling_factors[(attribute, index)]
except KeyError:
pass
[docs] def get_default_scaling(self, attribute: str, index: str = None):
"""Returns a default scale factor for a property
Args:
attribute: property attribute name
index: optional index for indexed properties
Returns:
None
"""
try:
# If a specific component data index exists
return self._default_scaling_factors[(attribute, index)]
except KeyError:
try:
# indexed, but no specific index?
return self._default_scaling_factors[(attribute, None)]
except KeyError:
# Can't find a default scale factor for what you asked for
return None
[docs] def flowsheet(self):
"""
This method returns the components parent flowsheet object, i.e. the
flowsheet component to which the model is attached. If the component
has no parent flowsheet, the method returns None.
Args:
None
Returns:
Flowsheet object or None
"""
parent = self.parent_block()
while True:
if parent is None:
return None
if hasattr(parent, "is_flowsheet") and parent.is_flowsheet():
return parent
else:
parent = parent.parent_block()
def _get_config_args(self):
"""
Get config arguments for this element and put them in the ConfigBlock
"""
if self._pb_configured:
return
self._pb_configured = True
idx_map = self.parent_component()._idx_map # index map function
try:
idx = self.index()
except AttributeError:
idx = None
if idx_map is not None:
idx = idx_map(idx)
initialize = self.parent_component()._block_data_config_initialize
if idx in initialize:
kwargs = initialize[idx]
else:
kwargs = self.parent_component()._block_data_config_default
self.config = self.CONFIG(kwargs)
[docs] def fix_initial_conditions(self, state="steady-state"):
"""This method fixes the initial conditions for dynamic models.
Args:
state : initial state to use for simulation (default =
'steady-state')
Returns :
None
"""
if state == "steady-state":
for obj in self.component_objects((Block, Disjunct), descend_into=True):
# Try to fix material_accumulation @ first time point
try:
obj.material_accumulation[obj.flowsheet().time.first(), ...].fix(
0.0
)
except AttributeError:
pass
# Try to fix element_accumulation @ first time point
try:
obj.element_accumulation[obj.flowsheet().time.first(), ...].fix(0.0)
except AttributeError:
pass
# Try to fix energy_accumulation @ first time point
try:
obj.energy_accumulation[obj.flowsheet().time.first(), ...].fix(0.0)
except AttributeError:
pass
else:
raise ValueError(
"Unrecognised value for argument 'state'. "
"Valid values are 'steady-state'."
)
[docs] def unfix_initial_conditions(self):
"""This method unfixed the initial conditions for dynamic models.
Args:
None
Returns :
None
"""
for obj in self.component_objects(Block, descend_into=True):
# Try to unfix material_accumulation @ first time point
try:
obj.material_accumulation[obj.flowsheet().time.first(), ...].unfix()
except AttributeError:
pass
# Try to fix element_accumulation @ first time point
try:
obj.element_accumulation[obj.flowsheet().time.first(), ...].unfix()
except AttributeError:
pass
# Try to fix energy_accumulation @ first time point
try:
obj.energy_accumulation[obj.flowsheet().time.first(), ...].unfix()
except AttributeError:
pass
def report(self, time_point=0, dof=False, ostream=None, prefix=""):
time_point = float(time_point)
if ostream is None:
ostream = sys.stdout
# Get DoF and model stats
if dof:
dof_stat = degrees_of_freedom(self)
nv = number_variables(self)
nc = number_activated_constraints(self)
nb = number_activated_blocks(self)
# Get components to report in performance section
performance = self._get_performance_contents(time_point=time_point)
# Get stream table
stream_table = self._get_stream_table_contents(time_point=time_point)
# Set model type output
if hasattr(self, "is_flowsheet") and self.is_flowsheet:
model_type = "Flowsheet"
else:
model_type = "Unit"
# Write output
max_str_length = 84
tab = " " * 4
ostream.write("\n" + "=" * max_str_length + "\n")
lead_str = f"{prefix}{model_type} : {self.name}"
trail_str = f"Time: {time_point}"
mid_str = " " * (max_str_length - len(lead_str) - len(trail_str))
ostream.write(lead_str + mid_str + trail_str)
if dof:
ostream.write("\n" + "=" * max_str_length + "\n")
ostream.write(f"{prefix}{tab}Local Degrees of Freedom: {dof_stat}")
ostream.write("\n")
ostream.write(
f"{prefix}{tab}Total Variables: {nv}{tab}"
f"Activated Constraints: {nc}{tab}"
f"Activated Blocks: {nb}"
)
if performance is not None:
# PYLINT-WHY: pylint has no way of knowing that performance is supposed to be dict-like
# pylint: disable=unsubscriptable-object
# PYLINT-TODO: alternatively, have the function return an empty dict and test with `if performance:`
ostream.write("\n" + "-" * max_str_length + "\n")
ostream.write(f"{prefix}{tab}Unit Performance")
ostream.write("\n" * 2)
if "vars" in performance.keys() and len(performance["vars"]) > 0:
ostream.write(f"{prefix}{tab}Variables: \n\n")
tabular_writer(
ostream,
prefix + tab,
((k, v) for k, v in performance["vars"].items()),
("Value", "Units", "Fixed", "Bounds"),
lambda k, v: [
"{:#.5g}".format(report_quantity(v).m),
report_quantity(v).u,
v.fixed,
v.bounds,
],
)
if "exprs" in performance.keys() and len(performance["exprs"]) > 0:
ostream.write("\n")
ostream.write(f"{prefix}{tab}Expressions: \n\n")
tabular_writer(
ostream,
prefix + tab,
((k, v) for k, v in performance["exprs"].items()),
(
"Value",
"Units",
),
lambda k, v: [
"{:#.5g}".format(report_quantity(v).m),
report_quantity(v).u,
],
)
if "params" in performance.keys() and len(performance["params"]) > 0:
ostream.write("\n")
ostream.write(f"{prefix}{tab}Parameters: \n\n")
tabular_writer(
ostream,
prefix + tab,
((k, v) for k, v in performance["params"].items()),
("Value", "Units", "Mutable"),
lambda k, v: [
report_quantity(v).m,
report_quantity(v).u,
not v.is_constant(),
],
)
if stream_table is not None:
ostream.write("\n" + "-" * max_str_length + "\n")
ostream.write(f"{prefix}{tab}Stream Table")
ostream.write("\n")
ostream.write(
textwrap.indent(
stream_table_dataframe_to_string(stream_table), prefix + tab
)
)
ostream.write("\n" + "=" * max_str_length + "\n")
def _get_performance_contents(self, time_point=0):
return None
def _get_stream_table_contents(self, time_point=0):
return None
[docs] def serialize_contents(self, time_point=0):
"""
Return the performance contents and stream table
NOTE: There is the possibility of a ConfigurationError because
the names of the inlets and outlets of the unit model may not be
standard. If this occurs then return an empty dataframe
Args:
time_point: The time
Returns:
performance_contents: Pandas dataframe with the performance contents
stream_table: Pandas dataframe with the stream table for a unit model
"""
performance_contents = self._get_performance_contents(time_point)
try:
stream_table = self._get_stream_table_contents(time_point)
except ConfigurationError as err:
_log.warning(f"Could not serialize stream table: {err}")
stream_table = DataFrame()
return performance_contents, stream_table
def _setup_dynamics(self):
"""
This method automates the setting of the dynamic flag and time domain
for unit models.
Performs the following:
1) Determines if this is a top level flowsheet
2) Gets dynamic flag from parent if not top level, or checks validity
of argument provided
3) Checks has_holdup flag if present and dynamic = True
Args:
None
Returns:
None
"""
# Get parent object
if hasattr(self.parent_block(), "config"):
# Parent block has a config block, so use this
parent = self.parent_block()
else:
# Use parent flowsheet
try:
parent = self.flowsheet()
except ConfigurationError:
raise DynamicError(
"{} has no parent flowsheet from which to "
"get dynamic argument. Please provide a "
"value for this argument when constructing "
"the unit.".format(self.name)
)
# Check the dynamic flag, and retrieve if necessary
if self.config.dynamic == useDefault:
# Get flag from parent flowsheet
try:
self.config.dynamic = parent.config.dynamic
except AttributeError:
# No flowsheet, raise exception
raise DynamicError(
"{} parent flowsheet has no dynamic "
"argument. Please provide a "
"value for this argument when constructing "
"the unit.".format(self.name)
)
# Check for case when dynamic=True, but parent dynamic=False
if self.config.dynamic and not parent.config.dynamic:
raise DynamicError(
"{} trying to declare a dynamic model within "
"a steady-state flowsheet. This is not "
"supported by the IDAES framework. Try "
"creating a dynamic flowsheet instead, and "
"declaring some models as steady-state.".format(self.name)
)
# Set and validate has_holdup argument
if self.config.has_holdup == useDefault:
# Default to same value as dynamic flag
self.config.has_holdup = self.config.dynamic
elif self.config.has_holdup is False:
if self.config.dynamic is True:
# Dynamic model must have has_holdup = True
raise ConfigurationError(
"{} invalid arguments for dynamic and has_holdup. "
"If dynamic = True, has_holdup must also be True "
"(was False)".format(self.name)
)
def _get_property_package(self):
"""
This method gathers the necessary information about the property
package to be used in the control volume block.
If a property package has not been provided by the user, the method
searches up the model tree until it finds an object with the
'default_property_package' attribute and uses this package for the
control volume block.
The method also gathers any default construction arguments specified
for the property package and combines these with any arguments
specified by the user for the control volume block (user specified
arguments take priority over defaults).
Args:
None
Returns:
None
"""
# Get property_package block if not provided in arguments
parent = self.parent_block()
if self.config.property_package == useDefault:
# Try to get property_package from parent
try:
if parent.config.property_package in [None, useDefault]:
parent.config.property_package = self._get_default_prop_pack()
self.config.property_package = parent.config.property_package
except AttributeError:
self.config.property_package = self._get_default_prop_pack()
# Check for any flowsheet level build arguments
for k in self.config.property_package.config.default_arguments:
if k not in self.config.property_package_args:
self.config.property_package_args[k] = (
self.config.property_package.config.default_arguments[k]
)
def _get_default_prop_pack(self):
"""
This method is used to find a default property package defined at the
flowsheet level if a package is not provided as an argument when
instantiating the control volume block.
Args:
None
Returns:
None
"""
parent = self.flowsheet()
while True:
if parent is None:
raise ConfigurationError(
"{} no property package provided and "
"no default defined by parent flowsheet(s).".format(self.name)
)
elif parent.config.default_property_package is not None:
_log.info(f"{self.name} Using default property package")
return parent.config.default_property_package
parent = parent.flowsheet()
def _get_indexing_sets(self):
"""
This method collects all necessary indexing sets from property
parameter block and makes references to these for use within the
control volume block. Collected indexing sets are phase_list and
component_list.
Args:
None
Returns:
None
"""
# Check for phase list(s)
if not hasattr(self.config.property_package, "phase_list"):
raise PropertyPackageError(
"{} property_package provided does not "
"contain a phase_list. "
"Please contact the developer of the property package.".format(
self.name
)
)
# Check for component list(s)
if not hasattr(self.config.property_package, "component_list"):
raise PropertyPackageError(
"{} property_package provided does not "
"contain a component_list. "
"Please contact the developer of the property package.".format(
self.name
)
)
def _get_reaction_package(self):
"""
This method gathers the necessary information about the reaction
package to be used in the control volume block (if required).
If a reaction package has been provided by the user, the method
gathers any default construction arguments specified
for the reaction package and combines these with any arguments
specified by the user for the control volume block (user specified
arguments take priority over defaults).
Args:
None
Returns:
None
"""
if self.config.reaction_package is not None:
# Check for any flowsheet level build arguments
for k in self.config.reaction_package.config.default_arguments:
if k not in self.config.reaction_package_args:
self.config.reaction_package_args[k] = (
self.config.reaction_package.config.default_arguments[k]
)
def calculate_scaling_factors(self):
# This lets you call super().calculate_scaling_factors() in a unit
# model's calculate_scaling_factors method without worrying about
# whether the parent class defines one. This allows for a more standized
# form of calculate_scaling_factors() methods.
pass
