##############################################################################
# Institute for the Design of Advanced Energy Systems Process Systems
# Engineering Framework (IDAES PSE Framework) Copyright (c) 2018-2019, 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.txt and LICENSE.txt for full copyright and
# license information, respectively. Both files are also available online
# at the URL "https://github.com/IDAES/idaes-pse".
##############################################################################
"""
This module contains classes for property blocks and property parameter blocks.
"""
import sys
# Import Pyomo libraries
from pyomo.environ import value
from pyomo.core.base.var import _VarData
from pyomo.core.base.expression import _ExpressionData
from pyomo.common.config import ConfigBlock, ConfigValue, In
from pyomo.core.base.misc import tabular_writer
# Import IDAES cores
from idaes.core.process_block import ProcessBlock
from idaes.core import ProcessBlockData
from idaes.core import property_meta
from idaes.core import MaterialFlowBasis
from idaes.core.util.config import is_physical_parameter_block
from idaes.core.util.exceptions import (BurntToast,
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)
# Some more information about this module
__author__ = "Andrew Lee, John Eslick"
__all__ = ['StateBlockData',
'StateBlock',
'PhysicalParameterBlock']
[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()
[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.
"""
[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 the'
' 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]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=In([True, False]),
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=In([True, False]),
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.}"""))
[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)
[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_energy_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 propery 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 attrbute 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 ocasionally 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.
"""
def clear_call_list(self, attr):
"""Local method for cleaning up call list when a call is handled.
Args:
attr: attribute currently being handled
"""
if self.__getattrcalls[-1] == attr:
if len(self.__getattrcalls) <= 1:
del self.__getattrcalls
else:
del self.__getattrcalls[-1]
else:
raise PropertyPackageError(
"{} Trying to remove call {} from __getattr__"
" call list, however this is not the most "
"recent call in the list ({}). This indicates"
" a bug in the __getattr__ calls. Please "
"contact the IDAES developers with this bug."
.format(self.name, attr, self.__getattrcalls[-1]))
# Check that attr is not something we shouldn't touch
if attr == "domain" or attr.startswith("_"):
# Don't interfere with anything by getting attributes that are
# none of my business
raise PropertyPackageError(
'{} {} does not exist, but is a protected '
'attribute. Check the naming of your '
'components to avoid any reserved names'
.format(self.name, attr))
if attr == "config":
try:
self._get_config_args()
return self.config
except:
raise BurntToast("{} getattr method was triggered by a call "
"to the config block, but _get_config_args "
"failed. This should never happen.")
# Check for recursive calls
try:
# Check to see if attr already appears in call list
if attr in self.__getattrcalls:
# If it does, indicates a recursive loop.
if attr == self.__getattrcalls[-1]:
# attr method is calling itself
self.__getattrcalls.append(attr)
raise PropertyPackageError(
'{} _{} made a recursive call to '
'itself, indicating a potential '
'recursive loop. This is generally '
'caused by the {} method failing to '
'create the {} component.'
.format(self.name, attr, attr, attr))
else:
self.__getattrcalls.append(attr)
raise PropertyPackageError(
'{} a potential recursive loop has been '
'detected whilst trying to construct {}. '
'A method was called, but resulted in a '
'subsequent call to itself, indicating a '
'recursive loop. This may be caused by a '
'method trying to access a component out '
'of order for some reason (e.g. it is '
'declared later in the same method). See '
'the __getattrcalls object for a list of '
'components called in the __getattr__ '
'sequence.'
.format(self.name, attr))
# If not, add call to list
self.__getattrcalls.append(attr)
except AttributeError:
# A list of calls if one does not exist, so create one
self.__getattrcalls = [attr]
# Get property information from properties metadata
try:
m = self.config.parameters.get_metadata().properties
if m is None:
raise PropertyPackageError(
'{} property package get_metadata()'
' method returned None when trying to create '
'{}. Please contact the developer of the '
'property package'.format(self.name, attr))
except KeyError:
# If attr not in metadata, assume package does not
# support property
clear_call_list(self, attr)
raise PropertyNotSupportedError(
'{} {} is not supported by property package (property is '
'not listed in package metadata properties).'
.format(self.name, attr, attr))
# Get method name from resulting properties
try:
if m[attr]['method'] is None:
# If method is none, property should be constructed
# by property package, so raise PropertyPackageError
clear_call_list(self, attr)
raise PropertyPackageError(
'{} {} should be constructed automatically '
'by property package, but is not present. '
'This can be caused by methods being called '
'out of order.'.format(self.name, attr))
elif m[attr]['method'] is False:
# If method is False, package does not support property
# Raise NotImplementedError
clear_call_list(self, attr)
raise PropertyNotSupportedError(
'{} {} is not supported by property package '
'(property method is listed as False in '
'package property metadata).'
.format(self.name, attr))
elif isinstance(m[attr]['method'], str):
# Try to get method name in from PropertyBlock object
try:
f = getattr(self, m[attr]['method'])
except AttributeError:
# If fails, method does not exist
clear_call_list(self, attr)
raise PropertyPackageError(
'{} {} package property metadata method '
'returned a name that does not correspond'
' to any method in the property package. '
'Please contact the developer of the '
'property package.'.format(self.name, attr))
else:
# Otherwise method name is invalid
clear_call_list(self, attr)
raise PropertyPackageError(
'{} {} package property metadata method '
'returned invalid value for method name. '
'Please contact the developer of the '
'property package.'
.format(self.name, attr))
except KeyError:
# No method key - raise Exception
# Need to use an AttributeError so Pyomo.DAE will handle this
clear_call_list(self, attr)
raise PropertyNotSupportedError(
'{} package property metadata method '
'does not contain a method for {}. '
'Please select a package which supports '
'the necessary properties for your process.'
.format(self.name, attr))
# Call attribute if it is callable
# If this fails, it should return a meaningful error.
if callable(f):
try:
f()
except Exception:
# Clear call list and reraise error
clear_call_list(self, attr)
raise
else:
# If f is not callable, inform the user and clear call list
clear_call_list(self, attr)
raise PropertyPackageError(
'{} tried calling attribute {} in order to create '
'component {}. However the method is not callable.'
.format(self.name, f, attr))
# Clear call list, and return
comp = getattr(self, attr)
clear_call_list(self, attr)
return comp