Source code for idaes.core.base.property_base

#################################################################################
# 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), and is copyright (c) 2018-2021
# 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.
#################################################################################
"""
This module contains classes for property blocks and property parameter blocks.
"""

import sys

# Import Pyomo libraries
from pyomo.environ import Set, value, Var, Expression, Constraint, Reference
from pyomo.core.base.var import _VarData
from pyomo.core.base.expression import _ExpressionData
from pyomo.common.config import ConfigBlock, ConfigValue, Bool
from pyomo.common.formatting import tabular_writer
from pyomo.network import Port

# Import IDAES cores
from idaes.core.base.process_block import ProcessBlock
from idaes.core import ProcessBlockData, MaterialFlowBasis
from idaes.core.base import property_meta
from idaes.core.base.phases import PhaseData
from idaes.core.base.components import ComponentData
from idaes.core.util.config import is_physical_parameter_block
from idaes.core.util.exceptions import (
    BurntToast,
    ConfigurationError,
    PropertyNotSupportedError,
    PropertyPackageError,
)
from idaes.core.util.misc import add_object_reference
from idaes.core.util.model_statistics import (
    degrees_of_freedom,
    number_variables,
    number_activated_constraints,
    number_activated_blocks,
)
from idaes.core.util import scaling as iscale
import idaes.logger as idaeslog
from idaes.core.base.util import build_on_demand

# Some more information about this module
__author__ = "Andrew Lee, John Eslick"

__all__ = ["StateBlockData", "StateBlock", "PhysicalParameterBlock"]

# Set up logger
_log = idaeslog.getLogger(__name__)


class _lock_attribute_creation_context(object):
    """Context manager to lock creation of new attributes on a state block"""

    def __init__(self, block):
        self.block = block

    def __enter__(self):
        self.block._lock_attribute_creation = True

    def __exit__(self, exc_type, exc_value, traceback):
        self.block._lock_attribute_creation = False


[docs]class PhysicalParameterBlock(ProcessBlockData, property_meta.HasPropertyClassMetadata): """ This is the base class for thermophysical parameter blocks. These are blocks that contain a set of parameters associated with a specific thermophysical property package, and are linked to by all instances of that property package. """ # Create Class ConfigBlock CONFIG = ProcessBlockData.CONFIG() CONFIG.declare( "default_arguments", ConfigBlock( implicit=True, description="Default arguments to use with Property Package" ), )
[docs] def build(self): """ General build method for PropertyParameterBlocks. Inheriting models should call super().build. Args: None Returns: None """ super(PhysicalParameterBlock, self).build() # Need this to work with the Helmholtz EoS package if not hasattr(self, "_state_block_class"): self._state_block_class = None # By default, property packages do not include inherent reactions self._has_inherent_reactions = False
@property def state_block_class(self): if self._state_block_class is not None: return self._state_block_class else: raise AttributeError( "{} has not assigned a StateBlock class to be associated " "with this property package. Please contact the developer of " "the property package.".format(self.name) ) @property def has_inherent_reactions(self): return self._has_inherent_reactions
[docs] def build_state_block(self, *args, **kwargs): """ Methods to construct a StateBlock associated with this PhysicalParameterBlock. This will automatically set the parameters construction argument for the StateBlock. Returns: StateBlock """ # default = kwargs.pop("default", {}) initialize = kwargs.pop("initialize", {}) # TODO: Should find a better way to do this # For now, trigger get_phase_component_set to make sure # it has been constructed before building the state block self.get_phase_component_set() if initialize == {}: kwargs["parameters"] = self else: for i in initialize.keys(): initialize[i]["parameters"] = self return self.state_block_class( # pylint: disable=not-callable *args, **kwargs, initialize=initialize )
[docs] def get_phase_component_set(self): """ Method to get phase-component set for property package. If a phase- component set has not been constructed yet, this method will construct one. Args: None Returns: Phase-Component Set object """ try: return self._phase_component_set except AttributeError: # Phase-component set does not exist, so create one. pc_set = [] for p in self.phase_list: p_obj = self.get_phase(p) if p_obj.config.component_list is not None: c_list = p_obj.config.component_list else: c_list = self.component_list for j in c_list: pc_set.append((p, j)) self._phase_component_set = Set(initialize=pc_set, ordered=True) return self._phase_component_set
[docs] def get_component(self, comp): """ Method to retrieve a Component object based on a name from the component_list. Args: comp: name of Component object to retrieve Returns: Component object """ obj = getattr(self, comp) if not isinstance(obj, ComponentData): raise PropertyPackageError( "{} get_component found an attribute {}, but it does not " "appear to be an instance of a Component object.".format( self.name, comp ) ) return obj
[docs] def get_phase(self, phase): """ Method to retrieve a Phase object based on a name from the phase_list. Args: phase: name of Phase object to retrieve Returns: Phase object """ obj = getattr(self, phase) if not isinstance(obj, PhaseData): raise PropertyPackageError( "{} get_phase found an attribute {}, but it does not " "appear to be an instance of a Phase object.".format(self.name, phase) ) return obj
[docs]class StateBlock(ProcessBlock): """ This is the base class for state block objects. These are used when constructing the SimpleBlock or IndexedBlock which will contain the PropertyData objects, and contains methods that can be applied to multiple StateBlockData objects simultaneously. """ @property def component_list(self): return self._return_component_list() def _return_component_list(self): return self._get_parameter_block().component_list @property def phase_list(self): return self._return_phase_list() def _return_phase_list(self): return self._get_parameter_block().phase_list @property def phase_component_set(self): return self._return_phase_component_set() def _return_phase_component_set(self): return self._get_parameter_block().get_phase_component_set() @property def has_inherent_reactions(self): return self._has_inherent_reactions() def _has_inherent_reactions(self): return self._get_parameter_block().has_inherent_reactions # Need to separate the existence of inherent reactions from whether they # should be included in material balances # For some cases, Using an apparent species basis means they can be ignored @property def include_inherent_reactions(self): return self._include_inherent_reactions() def _include_inherent_reactions(self): return self._get_parameter_block().has_inherent_reactions def _get_parameter_block(self): # PYLINT-WHY: self._block_data_config_default is set elsewhere, # and is supposed to already exist as an attribute by the time # (or, it will raise AttributeError at L410) # this method is called, so the pylint errors here are false positives # pylint: disable=no-member,access-member-before-definition try: return self._block_data_config_default["parameters"] except (KeyError, TypeError): # Need to get parameters from initialize dict # We will also confirm these are all the same whilst we are at it param = None if self._block_data_config_default is None: self._block_data_config_default = {} for v in self._block_data_config_initialize.values(): if param is None: param = v["parameters"] elif param is not v["parameters"]: raise ConfigurationError( "{} StateBlock must use the same parameter block for " "elements. When using the initialize argument, please " "ensure that the same value is used for all parameter " "keys.".format(self.name) ) self._block_data_config_default["parameters"] = param return param
[docs] def initialize(self, *args, **kwargs): """ This is a default initialization routine for StateBlocks to ensure that a routine is present. All StateBlockData classes should overload this method with one suited to the particular property package Args: None Returns: None """ raise NotImplementedError( "{} property package has not implemented an" " initialize method. Please contact " "the property package developer".format(self.name) )
[docs] def report(self, index=(0), true_state=False, dof=False, ostream=None, prefix=""): """ Default report method for StateBlocks. Returns a Block report populated with either the display or state variables defined in the StateBlockData class. Args: index : tuple of Block indices indicating which point in time (and space if applicable) to report state at. true_state : whether to report the display variables (False default) or the actual state variables (True) dof : whether to show local degrees of freedom in the report (default=False) ostream : output stream to write report to prefix : string to append to the beginning of all output lines Returns: Printed output to ostream """ if ostream is None: ostream = sys.stdout # Get DoF and model stats if dof: dof_stat = degrees_of_freedom(self[index]) nv = number_variables(self[index]) nc = number_activated_constraints(self[index]) nb = number_activated_blocks(self[index]) # Create stream table if true_state: disp_dict = self[index].define_state_vars() else: disp_dict = self[index].define_display_vars() stream_attributes = {} for k in disp_dict: for i in disp_dict[k]: if i is None: stream_attributes[k] = disp_dict[k][i] else: stream_attributes[k + " " + i] = disp_dict[k][i] # Write output max_str_length = 84 tab = " " * 4 ostream.write("\n" + "=" * max_str_length + "\n") lead_str = f"{prefix}State : {self.name}" trail_str = f"Index: {index}" 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}" ) ostream.write("\n" + "-" * max_str_length + "\n") ostream.write(f"{prefix}{tab}State Report") if any(isinstance(v, _VarData) for k, v in stream_attributes.items()): ostream.write("\n" * 2) ostream.write(f"{prefix}{tab}Variables: \n\n") tabular_writer( ostream, prefix + tab, ( (k, v) for k, v in stream_attributes.items() if isinstance(v, _VarData) ), ("Value", "Fixed", "Bounds"), lambda k, v: ["{:#.5g}".format(value(v)), v.fixed, v.bounds], ) if any(isinstance(v, _ExpressionData) for k, v in stream_attributes.items()): ostream.write("\n" * 2) ostream.write(f"{prefix}{tab}Expressions: \n\n") tabular_writer( ostream, prefix + tab, ( (k, v) for k, v in stream_attributes.items() if isinstance(v, _ExpressionData) ), ("Value",), lambda k, v: ["{:#.5g}".format(value(v))], ) ostream.write("\n" + "=" * max_str_length + "\n")
[docs] def get_port_reference_name(self, component_name, port_name): """ Get the standard name of a "port reference", the component accessed on the port by "port_name.component_name". Args: component_name - name of port member of interest (str) port_name - name of Port object (str) Returns: str with name for Reference used for Port member """ return f"_{component_name}_{port_name}_ref"
[docs] def build_port( self, doc=None, slice_index=None, index=None, ): """ Constructs a Port based on this StateBlock attached to the target block. Args: doc - doc string or Prot object slice_index - Slice index (e.g. (slice(None), 0.0) that will be used to index self when constructing port references. Default = None. index - time index to use when calling define_port_memebers. Default = None. Returns: Port object and list of tuples with form (Reference, member name) """ if slice_index is None: slice_index = Ellipsis if index is None: index = self.index_set().first() # Create empty Port p = Port(doc=doc) # Get dict of Port members and names # Need to get a representative member of StateBlockDatas port_member_dict = self[index].define_port_members() # Create References for port members ref_name_list = [] for name, component in port_member_dict.items(): if not component.is_indexed(): slicer = self[slice_index].component(component.local_name) else: slicer = self[slice_index].component(component.local_name)[...] ref = Reference(slicer) ref_name_list.append((ref, name)) # Add Reference to Port p.add(ref, name) return p, ref_name_list
[docs]class StateBlockData(ProcessBlockData): """ This is the base class for state block data objects. These are blocks that contain the Pyomo components associated with calculating a set of thermophysical and transport properties for a given material. """ # Create Class ConfigBlock CONFIG = ProcessBlockData.CONFIG() CONFIG.declare( "parameters", ConfigValue( domain=is_physical_parameter_block, description="""A reference to an instance of the Property Parameter Block associated with this property package.""", ), ) CONFIG.declare( "defined_state", ConfigValue( default=False, domain=Bool, description="Flag indicating if incoming state is fully defined", doc="""Flag indicating whether the state should be considered fully defined, and thus whether constraints such as sum of mass/mole fractions should be included, **default** - False. **Valid values:** { **True** - state variables will be fully defined, **False** - state variables will not be fully defined.}""", ), ) CONFIG.declare( "has_phase_equilibrium", ConfigValue( default=True, domain=Bool, description="Phase equilibrium constraint flag", doc="""Flag indicating whether phase equilibrium constraints should be constructed in this state block, **default** - True. **Valid values:** { **True** - StateBlock should calculate phase equilibrium, **False** - StateBlock should not calculate phase equilibrium.}""", ), ) def __init__(self, *args, **kwargs): self._lock_attribute_creation = False super().__init__(*args, **kwargs)
[docs] def lock_attribute_creation_context(self): """Returns a context manager that does not allow attributes to be created while in the context and allows attributes to be created normally outside the context. """ return _lock_attribute_creation_context(self)
[docs] def is_property_constructed(self, attr): """Returns True if the attribute ``attr`` already exists, or false if it would be added in ``__getattr__``, or does not exist. Args: attr (str): Attribute name to check Return: True if the attribute is already constructed, False otherwise """ with self.lock_attribute_creation_context(): return hasattr(self, attr)
@property def component_list(self): return self.parent_component()._return_component_list() @property def phase_list(self): return self.parent_component()._return_phase_list() @property def phase_component_set(self): return self.parent_component()._return_phase_component_set() @property def has_inherent_reactions(self): return self.parent_component()._has_inherent_reactions() @property def include_inherent_reactions(self): return self.parent_component()._include_inherent_reactions()
[docs] def build(self): """ General build method for StateBlockDatas. Args: None Returns: None """ super(StateBlockData, self).build() add_object_reference(self, "_params", self.config.parameters)
@property def params(self): return self._params
[docs] def define_state_vars(self): """ Method that returns a dictionary of state variables used in property package. Implement a placeholder method which returns an Exception to force users to overload this. """ raise NotImplementedError( "{} property package has not implemented the" " define_state_vars method. Please contact " "the property package developer." )
[docs] def define_port_members(self): """ Method used to specify components to populate Ports with. Defaults to define_state_vars, and developers should overload as required. """ return self.define_state_vars()
[docs] def define_display_vars(self): """ Method used to specify components to use to generate stream tables and other outputs. Defaults to define_state_vars, and developers should overload as required. """ return self.define_state_vars()
[docs] def get_material_flow_terms(self, *args, **kwargs): """ Method which returns a valid expression for material flow to use in the material balances. """ raise NotImplementedError( "{} property package has not implemented the" " get_material_flow_terms method. Please " "contact the property package developer." )
[docs] def get_material_density_terms(self, *args, **kwargs): """ Method which returns a valid expression for material density to use in the material balances . """ raise NotImplementedError( "{} property package has not implemented the" " get_material_density_terms method. Please " "contact the property package developer." )
[docs] def get_material_diffusion_terms(self, *args, **kwargs): """ Method which returns a valid expression for material diffusion to use in the material balances. """ raise NotImplementedError( "{} property package has not implemented the" " get_material_diffusion_terms method. " "Please contact the property package " "developer." )
[docs] def get_enthalpy_flow_terms(self, *args, **kwargs): """ Method which returns a valid expression for enthalpy flow to use in the energy balances. """ raise NotImplementedError( "{} property package has not implemented the" " get_enthalpy_flow_terms method. Please " "contact the property package developer." )
[docs] def get_energy_density_terms(self, *args, **kwargs): """ Method which returns a valid expression for enthalpy density to use in the energy balances. """ raise NotImplementedError( "{} property package has not implemented the" " get_energy_density_terms method. Please " "contact the property package developer." )
[docs] def get_energy_diffusion_terms(self, *args, **kwargs): """ Method which returns a valid expression for energy diffusion to use in the energy balances. """ raise NotImplementedError( "{} property package has not implemented the" " get_energy_diffusion_terms method. " "Please contact the property package " "developer." )
[docs] def get_material_flow_basis(self, *args, **kwargs): """ Method which returns an Enum indicating the basis of the material flow term. """ return MaterialFlowBasis.other
[docs] def calculate_bubble_point_temperature(self, *args, **kwargs): """ Method which computes the bubble point temperature for a multi- component mixture given a pressure and mole fraction. """ raise NotImplementedError( "{} property package has not implemented the" " calculate_bubble_point_temperature method." " Please contact the property package " "developer." )
[docs] def calculate_dew_point_temperature(self, *args, **kwargs): """ Method which computes the dew point temperature for a multi- component mixture given a pressure and mole fraction. """ raise NotImplementedError( "{} property package has not implemented the" " calculate_dew_point_temperature method." " Please contact the property package " "developer." )
[docs] def calculate_bubble_point_pressure(self, *args, **kwargs): """ Method which computes the bubble point pressure for a multi- component mixture given a temperature and mole fraction. """ raise NotImplementedError( "{} property package has not implemented the" " calculate_bubble_point_pressure method." " Please contact the property package " "developer." )
[docs] def calculate_dew_point_pressure(self, *args, **kwargs): """ Method which computes the dew point pressure for a multi- component mixture given a temperature and mole fraction. """ raise NotImplementedError( "{} property package has not implemented the" " calculate_dew_point_pressure method." " Please contact the property package " "developer." )
def __getattr__(self, attr): """ This method is used to avoid generating unnecessary property calculations in state blocks. __getattr__ is called whenever a property is called for, and if a property does not exist, it looks for a method to create the required property, and any associated components. Create a property calculation if needed. Return an attribute error if attr == 'domain' or starts with a _ . The error for _ prevents a recursion error if trying to get a function to create a property and that function doesn't exist. Pyomo also occasionally looks for things that start with _ and may not exist. Pyomo also looks for the domain attribute, and it may not exist. This works by creating a property calculation by calling the "_"+attr function. A list of __getattr__ calls is maintained in self.__getattrcalls to check for recursive loops which maybe useful for debugging. This list is cleared after __getattr__ completes successfully. Args: attr: an attribute to create and return. Should be a property component. """ return build_on_demand(self, attr) def calculate_scaling_factors(self): super().calculate_scaling_factors() # Get scaling factor defaults, if no scaling factor set for v in self.component_data_objects( (Constraint, Var, Expression), descend_into=False ): if iscale.get_scaling_factor(v) is None: # don't replace if set name = v.getname().split("[")[0] index = v.index() sf = self.config.parameters.get_default_scaling(name, index) if sf is not None: iscale.set_scaling_factor(v, sf)