watertap.tools.oli_api package

Subpackages

• watertap.tools.oli_api.util package
  • Submodules
  • watertap.tools.oli_api.util.fixed_keys_dict module
    • FixedKeysDict
      • FixedKeysDict.__init__()
  • watertap.tools.oli_api.util.state_block_helper_functions module
    • convert_to_state_block_units()
    • create_property_model_input()
    • create_state_block()
    • extract_state_vars()
  • watertap.tools.oli_api.util.watertap_to_oli_helper_functions module
    • OLIName
      • OLIName.charge
      • OLIName.charge_group
      • OLIName.molar_mass
      • OLIName.oli_name
      • OLIName.watertap_name
    • get_charge()
    • get_charge_group()
    • get_molar_mass()
    • get_molar_mass_quantity()
    • get_oli_name()
    • get_oli_names()
    • oli_reverse_lookup()
    • watertap_to_oli()
  • Module contents

Submodules

watertap.tools.oli_api.client module

class watertap.tools.oli_api.client.OLIApi(credential_manager, interactive_mode=True, debug_level='INFO')

Bases: object

A class to wrap OLI Cloud API calls and access functions for interfacing with WaterTAP.

__init__(credential_manager, interactive_mode=True, debug_level='INFO')

Construct all necessary attributes for OLIApi class.

Parameters:

• credential_manager_class – class used to manage credentials

• interactive_mode – enables direct interaction with user through prompts

• debug_level – string defining level of logging activity

call(flash_method=None, dbs_file_id=None, input_params=None, poll_time=0.5, max_request=100, **kwargs)

Make a call to the OLI Cloud API.

Parameters:

• flash_method – string indicating flash method

• dbs_file_id – string indicating DBS file

• input_params – dictionary for flash calculation inputs

• poll_time – seconds between each poll

• max_request – maximum number of times to try request before failure

Return result:

dictionary for JSON output result

dbs_file_cleanup(dbs_file_ids=None)

Delete all (or specified) DBS files on OLI Cloud.

Parameters:

dbs_file_ids – list of DBS file IDs to delete

generate_dbs_file(inflows, thermo_framework=None, model_name=None, phases=None, databanks=None, keep_file=False)

Generate a DBS file on OLI Cloud given chemistry inputs.

Parameters:

• inflows – dictionary with inflows and optional custom parameters

• thermo_framework – string name of thermodynamic databank to use

• model_name – string name of model OLI will use

• phases – container dict for chemistry model parameters

• databanks – list of databanks to include in DBS file

• keep_file – bool to remove (default) or ignore DBS file during session cleanup

Return dbs_file_id:

string name for DBS file ID

get_corrosion_contact_surfaces(dbs_file_id)

Get list of valid contact surfaces for corrosion analysis, given a DBS file ID.

Parameters:

dbs_file_id – string name for DBS file ID

Return contact_surfaces:

JSON results from OLI Cloud

get_dbs_file_summary(dbs_file_id)

Get chemistry info and flash history for a DBS file.

Parameters:

dbs_file_id – string name for DBS file ID

Return dbs_file_summary:

dictionary containing JSON results from OLI Cloud

get_user_dbs_file_ids()

Get all DBS files on user’s cloud.

Return user_dbs_file_ids:

list of user DBS files saved on OLI Cloud

process_request_list(requests, **kwargs)

Process a list of flash calculation requests for OLI.

Parameters:

requests – list of request dictionaries containing flash_method, dbs_file_id, and json_input

upload_dbs_file(dbs_file_path, keep_file=False)

Upload a DBS file to OLI Cloud given a full file path.

Parameters:

• dbs_file_path – string path to DBS file

• keep_file – bool to remove (default) or ignore DBS file during session cleanup

Return dbs_file_id:

string name for DBS file ID

watertap.tools.oli_api.conftest module

watertap.tools.oli_api.conftest.auth_credentials() → dict

Credentials that allow running tests with an authenticated client

watertap.tools.oli_api.credentials module

class watertap.tools.oli_api.credentials.CredentialManager(username='', password='', root_url='', auth_url='', config_file='./credentials.txt', encryption_key='', access_keys=[], test=False, interactive_mode=True)

Bases: object

A class to handle credentials for OLI Cloud.

__init__(username='', password='', root_url='', auth_url='', config_file='./credentials.txt', encryption_key='', access_keys=[], test=False, interactive_mode=True)

Manages credentials for OLIApi authentication requests.

Parameters:

• username – user’s username

• password – user’s password

• root_url – root url

• auth_url – authorization url

• config_file – existing/desired path (absolute, or relative to the working directory) to encrypted oli_config_file

• encryption_key – fernet key generated by credential manager object

• access_keys – list of access keys generated by user

• test – bool switch for automation during tests

• interactive_mode – bool to switch level of logging display from info to debug only

auth_status(body, req_result=None)

Posts authorization request to OLI Cloud.

Parameters:

body – dictionary containing authorization data

Return bool:

bool indicating success or failure

delete_oliapi_access_key(api_key)

Delete an access key for OLI Cloud.

Parameters:

api_key – The access key to delete

Return string:

Response text containing the success message or an error message

generate_oliapi_access_key(key_lifetime=365)

Generate an access key for OLI Cloud.

Parameters:

key_lifetime – integer number of days key will be valid

Return string:

Response text containing the access key information or an error message

login(refresh=False)

Log in to OLI Cloud using access key or credentials.

Parameters:

refresh – bool to get refresh token

Return status:

bool indicating success or failure

set_access_key()

Allows access key to be selected from list if more than one is provided.

set_headers()

Creates OLI Cloud API headers and performs initial login.

update_headers(new_header)

Updates existing headers with new header.

Parameters:

new_header – dict containing new header key and value

Return updated_headers:

dict containing updated headers

watertap.tools.oli_api.flash module

class watertap.tools.oli_api.flash.Flash(optional_properties={'electricalConductivity': True, 'viscosity': True, 'selfDiffusivityAndMobility': True, 'heatCapacity': True, 'thermalConductivity': True, 'surfaceTension': True, 'interfacialTension': True, 'volumeStdConditions': True, 'prescalingTendenciesEstimated': False, 'prescalingIndexEstimated': False, 'prescalingTendenciesRigorous': True, 'prescalingIndexRigorous': True, 'scalingTendencies': True, 'scalingIndex': True, 'hardness': True, 'ionicStrengthXBased': True, 'ionicStrengthMBased': True, 'totalDissolvedSolids': True, 'vaporToInflowMoleFraction': True, 'partialPressure': True, 'vaporDiffusivityMatrix': True, 'entropyStream': True, 'entropySpecies': True, 'entropyStreamStandardState': True, 'entropySpeciesStandardState': True, 'gibbsEnergyStream': True, 'gibbsEnergySpecies': True, 'gibbsEnergyStreamStandardState': True, 'gibbsEnergySpeciesStandardState': True, 'activityCoefficientsXBased': True, 'activityCoefficientsMBased': True, 'fugacityCoefficients': True, 'vaporFugacity': True, 'kValuesXBased': True, 'kValuesMBased': True, 'MBGComposition': True, 'materialBalanceGroup': True}, input_unit_set={'molecularConcentration': {'oli_unit': 'mg/L', 'pyomo_unit': <pyomo.core.expr.numeric_expr.NPV_DivisionExpression object>}, 'mass': {'oli_unit': 'mg', 'pyomo_unit': <pyomo.core.base.units_container._PyomoUnit object>}, 'temperature': {'oli_unit': 'K', 'pyomo_unit': <pyomo.core.base.units_container._PyomoUnit object>}, 'pressure': {'oli_unit': 'Pa', 'pyomo_unit': <pyomo.core.base.units_container._PyomoUnit object>}, 'enthalpy': {'oli_unit': 'J', 'pyomo_unit': <pyomo.core.base.units_container._PyomoUnit object>}, 'vaporAmountMoles': {'oli_unit': 'mol', 'pyomo_unit': <pyomo.core.base.units_container._PyomoUnit object>}, 'vaporMolFrac': {'oli_unit': 'mol/mol', 'pyomo_unit': <pyomo.core.expr.numeric_expr.NPV_DivisionExpression object>}, 'totalVolume': {'oli_unit': 'L', 'pyomo_unit': <pyomo.core.base.units_container._PyomoUnit object>}, 'pipeDiameter': {'oli_unit': 'm', 'pyomo_unit': <pyomo.core.base.units_container._PyomoUnit object>}, 'pipeFlowVelocity': {'oli_unit': 'm/s', 'pyomo_unit': <pyomo.core.expr.numeric_expr.NPV_DivisionExpression object>}, 'diskDiameter': {'oli_unit': 'm', 'pyomo_unit': <pyomo.core.base.units_container._PyomoUnit object>}, 'diskRotatingSpeed': {'oli_unit': 'cycle/s', 'pyomo_unit': <pyomo.core.expr.numeric_expr.NPV_DivisionExpression object>}, 'rotorDiameter': {'oli_unit': 'm', 'pyomo_unit': <pyomo.core.base.units_container._PyomoUnit object>}, 'rotorRotation': {'oli_unit': 'cycle/s', 'pyomo_unit': <pyomo.core.expr.numeric_expr.NPV_DivisionExpression object>}, 'shearStress': {'oli_unit': 'Pa', 'pyomo_unit': <pyomo.core.base.units_container._PyomoUnit object>}, 'pipeRoughness': {'oli_unit': 'm', 'pyomo_unit': <pyomo.core.base.units_container._PyomoUnit object>}, 'liquidFlowInPipe': {'oli_unit': 'L/s', 'pyomo_unit': <pyomo.core.expr.numeric_expr.NPV_DivisionExpression object>}, 'gasFlowInPipe': {'oli_unit': 'L/s', 'pyomo_unit': <pyomo.core.expr.numeric_expr.NPV_DivisionExpression object>}, 'viscAbs2ndLiq': {'oli_unit': 'Pa-s', 'pyomo_unit': <pyomo.core.expr.numeric_expr.NPV_ProductExpression object>}, 'alkalinity': {'oli_unit': 'mg HCO3/L', 'pyomo_unit': <pyomo.core.expr.numeric_expr.NPV_DivisionExpression object>}, 'TIC': {'oli_unit': 'mol C/L', 'pyomo_unit': <pyomo.core.expr.numeric_expr.NPV_DivisionExpression object>}, 'CO2GasFraction': {'oli_unit': 'mol/mol', 'pyomo_unit': <pyomo.core.expr.numeric_expr.NPV_DivisionExpression object>}}, output_unit_set={'enthalpy': 'J', 'mass': 'mg', 'pt': 'Pa', 'total': 'mg', 'liq1_phs_comp': 'mg', 'solid_phs_comp': 'mg', 'vapor_phs_comp': 'mg', 'liq2_phs_comp': 'mg', 'combined_phs_comp': 'mg', 'molecularConcentration': 'mg/L'}, relative_inflows=True, debug_level='INFO')

Bases: object

A class to execute OLI Cloud flash calculations.

Parameters:

• optional_properties – dictionary for optional properties to attach to OLI calls, all True by default

• input_unit_set – dictionary for conversions between OLI and Pyomo unit names

• output_unit_set – dictionary for preferred output units

• relative_inflows – bool switch for surveys - true to add specified value to initial value, false to replace initial value with specified value

• debug_level – string defining level of logging activity

__init__(optional_properties={'electricalConductivity': True, 'viscosity': True, 'selfDiffusivityAndMobility': True, 'heatCapacity': True, 'thermalConductivity': True, 'surfaceTension': True, 'interfacialTension': True, 'volumeStdConditions': True, 'prescalingTendenciesEstimated': False, 'prescalingIndexEstimated': False, 'prescalingTendenciesRigorous': True, 'prescalingIndexRigorous': True, 'scalingTendencies': True, 'scalingIndex': True, 'hardness': True, 'ionicStrengthXBased': True, 'ionicStrengthMBased': True, 'totalDissolvedSolids': True, 'vaporToInflowMoleFraction': True, 'partialPressure': True, 'vaporDiffusivityMatrix': True, 'entropyStream': True, 'entropySpecies': True, 'entropyStreamStandardState': True, 'entropySpeciesStandardState': True, 'gibbsEnergyStream': True, 'gibbsEnergySpecies': True, 'gibbsEnergyStreamStandardState': True, 'gibbsEnergySpeciesStandardState': True, 'activityCoefficientsXBased': True, 'activityCoefficientsMBased': True, 'fugacityCoefficients': True, 'vaporFugacity': True, 'kValuesXBased': True, 'kValuesMBased': True, 'MBGComposition': True, 'materialBalanceGroup': True}, input_unit_set={'molecularConcentration': {'oli_unit': 'mg/L', 'pyomo_unit': <pyomo.core.expr.numeric_expr.NPV_DivisionExpression object>}, 'mass': {'oli_unit': 'mg', 'pyomo_unit': <pyomo.core.base.units_container._PyomoUnit object>}, 'temperature': {'oli_unit': 'K', 'pyomo_unit': <pyomo.core.base.units_container._PyomoUnit object>}, 'pressure': {'oli_unit': 'Pa', 'pyomo_unit': <pyomo.core.base.units_container._PyomoUnit object>}, 'enthalpy': {'oli_unit': 'J', 'pyomo_unit': <pyomo.core.base.units_container._PyomoUnit object>}, 'vaporAmountMoles': {'oli_unit': 'mol', 'pyomo_unit': <pyomo.core.base.units_container._PyomoUnit object>}, 'vaporMolFrac': {'oli_unit': 'mol/mol', 'pyomo_unit': <pyomo.core.expr.numeric_expr.NPV_DivisionExpression object>}, 'totalVolume': {'oli_unit': 'L', 'pyomo_unit': <pyomo.core.base.units_container._PyomoUnit object>}, 'pipeDiameter': {'oli_unit': 'm', 'pyomo_unit': <pyomo.core.base.units_container._PyomoUnit object>}, 'pipeFlowVelocity': {'oli_unit': 'm/s', 'pyomo_unit': <pyomo.core.expr.numeric_expr.NPV_DivisionExpression object>}, 'diskDiameter': {'oli_unit': 'm', 'pyomo_unit': <pyomo.core.base.units_container._PyomoUnit object>}, 'diskRotatingSpeed': {'oli_unit': 'cycle/s', 'pyomo_unit': <pyomo.core.expr.numeric_expr.NPV_DivisionExpression object>}, 'rotorDiameter': {'oli_unit': 'm', 'pyomo_unit': <pyomo.core.base.units_container._PyomoUnit object>}, 'rotorRotation': {'oli_unit': 'cycle/s', 'pyomo_unit': <pyomo.core.expr.numeric_expr.NPV_DivisionExpression object>}, 'shearStress': {'oli_unit': 'Pa', 'pyomo_unit': <pyomo.core.base.units_container._PyomoUnit object>}, 'pipeRoughness': {'oli_unit': 'm', 'pyomo_unit': <pyomo.core.base.units_container._PyomoUnit object>}, 'liquidFlowInPipe': {'oli_unit': 'L/s', 'pyomo_unit': <pyomo.core.expr.numeric_expr.NPV_DivisionExpression object>}, 'gasFlowInPipe': {'oli_unit': 'L/s', 'pyomo_unit': <pyomo.core.expr.numeric_expr.NPV_DivisionExpression object>}, 'viscAbs2ndLiq': {'oli_unit': 'Pa-s', 'pyomo_unit': <pyomo.core.expr.numeric_expr.NPV_ProductExpression object>}, 'alkalinity': {'oli_unit': 'mg HCO3/L', 'pyomo_unit': <pyomo.core.expr.numeric_expr.NPV_DivisionExpression object>}, 'TIC': {'oli_unit': 'mol C/L', 'pyomo_unit': <pyomo.core.expr.numeric_expr.NPV_DivisionExpression object>}, 'CO2GasFraction': {'oli_unit': 'mol/mol', 'pyomo_unit': <pyomo.core.expr.numeric_expr.NPV_DivisionExpression object>}}, output_unit_set={'enthalpy': 'J', 'mass': 'mg', 'pt': 'Pa', 'total': 'mg', 'liq1_phs_comp': 'mg', 'solid_phs_comp': 'mg', 'vapor_phs_comp': 'mg', 'liq2_phs_comp': 'mg', 'combined_phs_comp': 'mg', 'molecularConcentration': 'mg/L'}, relative_inflows=True, debug_level='INFO')

configure_flash_analysis(inflows=None, flash_method=None, temperature=None, pressure=None, calculated_variable=None, enthalpy=None, vapor_amount=None, vapor_fraction=None, volume=None, ph=None, acid_titrant=None, base_titrant=None, formed_solid=None, precipitant_inflow=None, included_solids=None, excluded_solids=None, contact_surface=None, flow_type=None, diameter=None, liq_velocity=None, gas_velocity=None, rot_velocity=None, shear_stress=None, roughness=None, nonaqueous_visc=None, water_cut_inversion=None, relative_visc_inversion=None, use_scaling_rigorous=True, file_name=None)

Configure Flash Analysis JSON input.

Parameters:

• inflows – dictionary of solutes, of the form {“unit”: unit, “values”: {solute: concentration}}

• flash_method – string for flash calculation name

• temperature – float for temperature in Kelvins

• pressure – float for pressure in Pascals

• calculated_variable – string for variable to calculate, such as temperature or pressure, used in ‘bubblepoint’, ‘dewpoint’, ‘vapor-amount’, ‘vapor-fraction’, and ‘isochoric’ flashes

• enthalpy – float for total enthalpy in Joules, used in ‘isenthalpic’ flash

• vapor_amount – float for vapor phase Moles, used in ‘vapor-amount’ flash

• vapor_fraction – float for vapor phase in Mole %, used in ‘vapor-fraction’ flash

• volume – float for total volume in Cubic Meters, used in ‘isochoric’ flash

• ph – float for target pH, used in ‘setph’ flash

• acid_titrant – string for acidification titrant, used in ‘setph’ flash

• base_titrant – string for basification titrant, used in ‘setph’ flash

• formed_solid – string for solid species to precipitate based on inflow sweep, used in ‘precipitation-point’

• precipitant_inflow – string for inflow species to sweep, used in ‘precipitation-point’

• included_solids – list of solids to include in analysis

• excluded_solids – list of solids to exclude from analysis

• contact_surface – string for contact surface metal name

• flow_type – string for flow configuration

• diameter – float for diameter of surface (i.e., pipe or rotor)

• liq_velocity – float for velocity of liquid flow

• gas_velocity – float for velocity of vapor flow, used in ‘approximateMultiPhaseFlow’

• rot_velocity – float for rotational velocity

• shear_stress – float for defined shear stress, used in ‘definedShearStress’

• roughness – float for pipe roughness, used in ‘approximateMultiPhaseFlow’

• nonaqueous_visc – float for absolute viscosity of nonaqueous phase, used in ‘approximateMultiPhaseFlow’

• water_cut_inversion – float for water cut at point of dispersion inversion, used in ‘approximateMultiPhaseFlow’

• relative_visc_inversion – float for maximum relative viscosity of dispersion at inversion, used in ‘approximateMultiPhaseFlow’

• use_scaling_rigorous – bool to switch between Rigorous (default) and Estimated scaling computations

• file_name – string for file to write, if any

Return json_input:

JSON for Water Analysis

configure_water_analysis(inflows=None, temperature=None, pressure=None, reconciliation=None, electroneutrality=None, makeup_ion=None, ph=None, acid_titrant=None, base_titrant=None, alkalinity=None, alkalinity_ph=None, alkalinity_titrant=None, tic=None, allow_solids=False, included_solids=None, excluded_solids=None, calc_alkalinity=False, use_scaling_rigorous=True, file_name=None)

Configure Water Analysis JSON input.

Parameters:

• inflows – dictionary of solutes

• temperature – float for temperature in Kelvins

• pressure – float for pressure in Pascals

• reconciliation – string for method of reconciliation: “EquilCalcOnly” (default), “ReconcilePh”, “ReconcilePhAndAlkalinity”, or “ReconcilePhAndAlkalinityAndTic”; “ReconcileCo2Gas” not supported currently.

• electroneutrality – string for method of electroneutrality calculation: “DominantIon”, “ProrateCations”, “ProrateAnions”, “Prorate”, “AutoNACL”, or “MakeupIon” are supported

• makeup_ion – string for ion to use for electroneutrality balance, if “MakeupIon,

• ph – float for pH to reconcile solution to, required for pH based reconciliation

• acid_titrant – string for acidification titrant, used in pH based reconciliation

• base_titrant – string for basification titrant, used in pH based reconciliation

• alkalinity – float for alkalinity to reconcile solution to, required for Alk based reconciliation

• alkalinity_ph – float for alkalinity endpoint ph, used in Alk based reconciliation

• alkalinity_titrant – string for alkalinity titration species, used in Alk based reconciliation

• tic – float for total inorganic carbon concentration to reconcile solution to, required for TIC based reconcilation

• allow_solids – bool to enable solid phase formation

• included_solids – list of solids to include in analysis

• excluded_solids – list of solids to exclude from analysis

• calc_alkalinity – bool to calculate alkalinity of solution

• use_scaling_rigorous – bool to switch between Rigorous (default) and Estimated scaling computations

• file_name – string for file to write, if any

• mesh_grid – if True (default) the input array will be combined to generate combination of all possible samples if False, the direct values in survey_arrays will be used

Return json_input:

JSON for Water Analysis

get_apparent_species_from_true(true_species_json, oliapi_instance, dbs_file_id, phase=None, file_name=None)

Run Water Analysis to get apparent species.

Parameters:

• true_species_json – JSON generated from true species

• oliapi_instance – instance of OLI Cloud API to call

• dbs_file_id – string ID of DBS file

• phase – string for inflows phase

• file_name – string for file to write, if any

Return apparent_species:

dictionary for molecular concentrations

get_clone(flash_method, json_input, index, survey=None)

Iterate over a survey to create a modified clone from JSON input.

Parameters:

• flash_method – string for flash calculation name

• json_input – JSON input for flash calculation

• index – integer for index of incoming data

• survey – dictionary containing names and input values to modify in JSON

Return clone:

dictionary containing modified state variables and survey index

run_flash(flash_method, oliapi_instance, dbs_file_id, json_input, survey=None, file_name=None)

Conduct single point analysis with initial JSON input, or conduct a survey on that input.

Parameters:

• flash_method – string for flash calculation name

• oliapi_instance – instance of OLI Cloud API

• dbs_file_id – string ID of DBS file

• json_input – JSON input for flash calculation

• survey – dictionary containing names and input values to modify in JSON

• file_name – string for file to write, if any

Return processed_requests:

results from processed OLI flash requests

watertap.tools.oli_api.flash.build_survey(survey_arrays, get_oli_names=False, file_name=None, mesh_grid=True)

Build a dictionary for modifying flash calculation parameters.

Parameters:

• survey_arrays – dictionary for variables and values to survey

• get_oli_names – bool switch to convert name into OLI name

• file_name – string for file to write, if any

• mesh_grid – if True (default) the input array will be combined to generate combination of all possible samples if False, the direct values in survey_arrays will be used

Return survey:

dictionary for product of survey variables and values

watertap.tools.oli_api.flash.get_survey_sample_conditions(survey, sample_points)

Return survey parameter values for one or more sample points.

Parameters:

• survey – dictionary for product of survey conditions and values

• sample_points – list of indices to get parameter values from

Return sample_conditions:

dictionary for parameter values for given samples

watertap.tools.oli_api.flash.write_output(content, file_name)

Write dictionary-based content to file.

Parameters:

• content – dictionary of content to write

• file_name – string for name of file to write

• file_path – string for full path of written file

Module contents