watertap.core.util package

Subpackages

• watertap.core.util.model_diagnostics package
  • Submodules
  • watertap.core.util.model_diagnostics.infeasible module
    • print_close_to_bounds()
    • print_constraints_close_to_bounds()
    • print_infeasible_bounds()
    • print_infeasible_constraints()
    • print_variables_close_to_bounds()
  • watertap.core.util.model_diagnostics.ipopt_initialization module
    • assert_no_initialization_perturbation()
    • generate_initialization_perturbation()
    • print_initialization_perturbation()
  • Module contents

Submodules

watertap.core.util.initialization module

This module contains utility functions for initialization of WaterTAP models.

watertap.core.util.initialization.assert_degrees_of_freedom(blk, expected_dof)

Assert that degrees of freedom are expected_dof. If not expected_dof, throw an error and stop.

Keyword Arguments:

• blk – block to check

• expected_dof – Integer number of degrees of freedom blk should have

Returns:

None

watertap.core.util.initialization.assert_no_degrees_of_freedom(blk)

Assert that degrees of freedom are 0. If blk has non-zero degrees of freedom, throw an error and stop.

Keyword Arguments:

blk – block to check

Returns:

None

watertap.core.util.initialization.check_dof(blk, fail_flag=False, logger=<LoggerAdapter idaes.watertap.core.util.initialization (INFO)>, expected_dof=0)

Check that degrees of freedom are 0, or the expected amount expected_dof. If not 0 or expected_dof, either throw a warning and continue or throw an error and stop.

Keyword Arguments:

• blk – block to check

• fail_flag – Boolean argument to specify error or warning

• (Default – fail_flag=False produces logger warning. Set fail_flag=True to raise an error and stop the initialization routine.)

• logger – Optional argument for loading idaes.getInitLogger object (e.g., logger=init_log)

• expected_dof – Integer number of degrees of freedom blk should have

Returns:

None

watertap.core.util.initialization.check_solve(results, checkpoint=None, logger=<LoggerAdapter idaes.watertap.core.util.initialization (INFO)>, fail_flag=False)

Check that solver termination is optimal and OK in an initialization routine. If the check fails, proceed through initialization with only a logger warning by default, or set fail_flag=True to raise an error. This should also work for checking a solve outside of an initialization routine.

Keyword Arguments:

• results – solver results

• checkpoint – Optional string argument to specify the step of initialization being checked (e.g., checkpoint=”Initialization step 1: solve indexed blocks”)

• logger – Optional argument for loading idaes.getInitLogger object (e.g., logger=init_log)

• fail_flag – Boolean argument to specify error or warning (Default: fail_flag=False produces logger warning. set fail_flag=True to raise an error and stop the initialization routine.)

Returns:

None

watertap.core.util.misc module

watertap.core.util.misc.is_constant_up_to_units(expr)

Determines if a Pyomo expression is constant, even if units are involved :param expr: A Pyomo expression or a numeric value

Returns:

True if the expr is constant besides units, False otherwise

Return type:

bool

watertap.core.util.oli_api module

This class provides methods for using the OLI Cloud API and augments the code provided via OLI API documentation. [WIP]

Most of this code was adopted from examples in OLI’s documentation, with modifications implemented for interfacing w/WaterTap and addition of other functions for better utilizing OLI API functionality

class watertap.core.util.oli_api.OLIApi(username=None, password=None, root_url=None, auth_url=None)

Bases: object

A class to wrap OLI Cloud API calls to be accessible in a simple manner. This is just an example

__init__(username=None, password=None, root_url=None, auth_url=None)

Constructs all necessary attributes for OLIApi class

Args: username: user’s username password: user’s password root_url: root url auth_url: authorization url

call(function_name, chemistry_model_file_id, json_input={}, poll_time=1.0, max_request=1000, tee=False)

calls a function in the OLI Engine API.

Parameters:

• function_name – name of function to call

• chemistry_model_file_id – the chemistry model file if for this calculation

• json_input – calculation input JSON

• poll_time – max delay between each call

• max_request – maximum requests

• tee – boolean argument to hide or display print messages

Returns: dictionary containing result or error

composition_survey(survey=None, chemistry_file_ID=None, input_dict=None, stateblock=None, time_point=None, AllowSolidsToForm=False, zero_species=None, tee=True)

This method allows the user to conduct an OLI composition survey. A survey can be conducted over as many components as desired, hypothetically, enabled by _recursive_survey().

Parameters:

• survey – dictionary with component name as the key, and the min, max, and number of samples (corresponding to start, stop, and num args in numpy linspace)

• e.g. – {“CAOH2”: (0, 350, 3), “NA2CO3”: (0, 350, 3), “NAION”: (10000,20000,3),}

• chemistry_file_ID – OLI chemistry file ID (i.e., DBS file ID)

• input_dict – dictionary with input concentration data for call function which runs calculations in OLI Cloud API

Returns:

OLI results inflows: inflow data used in OLI calculations

Return type:

final_results

create_dbs_dict(ions=None, phases=None, thermo_framework=None, model_name=None)

Creates dict for chemistry-builder to later generate a DBS file ID :param ions: OLI-compatible ion names as a Pyomo Set, list, or dict where the keys are ion names :param phases: OLI-compatible phases; if None, use default of liquid1 and solid

Returns: dbs_dict: dictionary in OLI format needed to generate chemistry [DBS] file ID

#TODO: support not None for phases

create_input_dict(stateblock, time_point=None, AllowSolidsToForm=False, zero_species=None)

Creates dict for call function that performs calculations via OLI Cloud API stateblock: stateblock that contains ion concentrations, ion charge, temp and pressure time_point: stateblock time dimension

generate_chemistry_file(function_name, chemistry_model_file_id='', json_input={})

calls chemistry-builder function in the OLI Engine API.

Parameters:

• function_name – name of function to call

• chemistry_model_file_id – the chemistry model file if for this calculation

• json_input – calculation input JSON

• poll_time – max delay between each call

• max_request – maximum requests

Returns: dictionary containing result or error

get_dbs_file_id(dbs_file_path=None, ions=None, phases=None, thermo_framework=None, model_name=None)

Returns the chemistry file ID (dbs_file_id) from either (1) creating a DBS dict that requires ion names and is then fed to chemistry-builder or (2) an uploaded DBS via the “manual” workflow without using chemistry-builder

Parameters:

• dbs_file_path – file path to DBS file.

• ions – ion names as pyomo set

Returns: chemistry file ID as a string

get_flash_history(dbs_file_id)

Retrieves history of flash information, e.g., input for a chemistry model :param dbs_file_id: the DBS file ID

Returns: dictionary containing array of submitted jobs, from which the jobID and input data can be obtained

get_job_id(dbs_file_id)

Retrieves jobID which is useful for troubleshooting with OLI Support Team :param dbs_file_id: the DBS file ID

Returns: OLI jobID

get_user_dbs_files()

Returns a dictionary containing a list of all user dbs file(s) uploaded

login(tee=True, fail_flag=True)

Login into user credentials for the OLI Cloud

Parameters:

• tee – boolean argument to print status code when True

• fail_flag – boolean argument to raise exception upon login failure when True

Returns: True on success, False on failure

refresh_token()

Refreshes the access token using the refresh token got obtained on login Returns: True on success, False on failure

request_auto_login(req_func)

Gets a new access token if the request returns with an expired token error. First tries with the refresh token if it’s still active or simple relogs in using the username and password.

Parameters:

req_func – function to call

Returns: an empty dict if failed

upload_dbs_file(file_path)

Uploads a dbs file to the OLI Cloud given a full file path.

Parameters:

file_path – full path to dbs file

Returns: dictionary containing the uploaded file ID

watertap.core.util.scaling module

This module contains a utility function for the scaling of WaterTAP property model constraints.

Module contents