Enable concentration factor survey in OLI API #1458
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…o enable survey across water composition to simulate an applied concentration factor or recovery rate
| conc_unit = self.input_unit_set["inflows"]["oli_unit"] | ||
| _logger.info(f"Using {conc_unit} for inflows input") | ||
| for k, v in inflows.items(): | ||
| charge = get_charge(k) | ||
| input_list.append( | ||
| { | ||
| "group": get_charge_group(charge), | ||
| "name": get_oli_name(k), | ||
| "unit": self.input_unit_set["molecularConcentration"]["oli_unit"], | ||
| "unit": conc_unit, |
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most important changes of the PR. Simple fix
| if ("unit" in inflows.keys()) and ("values" in inflows.keys()): | ||
| input_dict["inflows"] = inflows | ||
| # otherwise, assume a solute dictionary with {solute_name: concentration_value} | ||
| else: | ||
| unit = self.input_unit_set["molecularConcentration"]["oli_unit"] | ||
| inflows_oli_names = {get_oli_name(k): v for k, v in inflows.items()} | ||
| input_dict["inflows"] = {"unit": unit, "values": inflows_oli_names} |
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Another important change to allow for the user to just supply a solute:concentration dict to the configure_flash_analysis method for setting up isothermal flash calculations.
This is what we do for our configure_water_analysis method, and this configure_flash_analysis seems to assume it'll be getting output from get_apparent_species_from_true; i.e., without this PR, the code assumes that the user is running a water analysis first and then extracting apparent species output as input to this method; either that, or the user needs to manually supply a dict that doesn't match the input dict format that goes into configure_water_analysis.
This standardizes things to make things less confusing for the user.
| output_unit_set_info = {} | ||
| for k, v in self.output_unit_set.items(): | ||
| output_unit_set_info[k] = v["oli_unit"] |
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I turned output_unit_set into a nested FixedKeysDict, which basically means that (1) users can't overwrite keys, which makes sense because these keys correspond to specific OLI output property names, and (2) setting the oli_unit or the pyomo_unit of a given property will sync with both oli_unit and pyomo_unit values. See #1388 for more background if that doesn't make sense.
Codecov ReportAttention: Patch coverage is
Additional details and impacted files@@ Coverage Diff @@
## main #1458 +/- ##
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+ Coverage 93.67% 95.16% +1.49%
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Files 285 285
Lines 30572 30580 +8
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+ Hits 28638 29102 +464
+ Misses 1934 1478 -456 ☔ View full report in Codecov by Sentry. |
Fixes/Resolves:
Summary/Motivation:
One way to streamline a composition survey in OLI API, where we want to simulate the concentrating of solutes in solution as water is removed from that solution is to conduct a survey on H2O itself (as opposed to applying concentration factors to each solute in composition via a survey).
However, as our oli_api/client and oli_api/flash are configured now, this is not possible. This PR makes some adjustments to set the stage for conducting a concentration factor survey in a future PR by dealing with units as OLI would expect them to be.
Changes proposed in this PR:
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