Idaes-pse

New Features and Models

- New diagnostics toolboxes and examples
- Tutorial for using the DiagnosticsToolbox
- Methods to identify potential evaluation errors in models
- `SVDToolbox`` for performing singular value decomposition analysis on models to identify possible degeneracies and poor scaling
- DegeneracyHunter for identifying irreducible degenerate sets in models
- Model for solid-liquid separation which takes two inputs (solid and liquid streams) and produces three outlets (solids, liquid entrained with solids and pure liquid)
- Example of temperature swing adsorption in `models_extra`

Deprecation Warnings

- With the update to Pyomo 6.7.0, the plate heat exchanger model has begun failing tests on some CI platforms. If this is not addressed by the February release, this model may be removed due to failing tests. See https://github.com/IDAES/idaes-pse/issues/1294. Offers to help identify the cause and fix this issue are welcome.

Improvements and bug fixes

- Fixed oversight which precluded using `Mixer` and `Separator` models when inherent reactions were present in property package
- Added reporting methods to the `MSContactor` model
- Minor corrections in some examples where values were being fixed outside of declared variable bounds

Start with our [online documentation](https://idaes-pse.readthedocs.org/en/2.2.0rc1) to get started with install instructions, examples, etc.

Start with our [online documentation](https://idaes-pse.readthedocs.org/en/2.2.0rc0) to get started with install instructions, examples, etc.

New Features: DiagnosticsToolbox

DiagnosticsToolbox (`idaes.core.util.model_diagnostics.DiagnosticsToolbox` is a new self-guiding toolbox for assisting with diagnosing modeling issues. The toolbox contains a wide range of tools for identifying common modeling issues and conveying these to the user, and more features will be added in the coming months.

To try the new toolbox, use the following steps:

- `from idaes.core.util import DiagnosticsToolbox`
- Build an instance of your model
- Ensure your models has zero degrees of freedom (as best you can)
- `dt = DiagnostisticsToobox(model)`
- `dt.report_strucutral_issues()`
- Follow the prompts

Deprecations

- DegeneracyHunter is being deprecated in favor of the new DiagnosticsToolbox. The features and capabilities of DegeneracyHunter will be moved over to the DiagnositcsToolbox in the coming months.
- Removal of usage of Pyomo's `expr.current` due to deprecation upstream.
- Removed support for radial basis functions in ALAMOpy as these did not work in the current implementation. Those wishing to use radial basis functions should use Pysmo instead.

New Capabilities

- MSContactor model for unit operations involving mass transfer between 2 or more streams, such as membrane, solvent extraction and solids leaching operations.

Other Improvements

- Improved formulation for solubility products with additional parameters for better scaling of terms
- Better backward compatibility, verification and robustness testing of core models and APIs
- Added support for Separator models without energy balances

New Features: DiagnosticsToolbox

DiagnosticsToolbox (`idaes.core.util.model_diagnostics.DiagnosticsToolbox` is a new self-guiding toolbox for assisting with diagnosing modeling issues. The toolbox contains a wide range of tools for identifying common modeling issues and conveying these to the user, and more features will be added in the coming months.

To try the new toolbox, use the following steps:

- `from idaes.core.util import DiagnosticsToolbox`
- Build an instance of your model
- Ensure your models has zero degrees of freedom (as best you can)
- `dt = DiagnostisticsToobox(model)`
- `dt.report_strucutral_issues()`
- Follow the prompts

Deprecations

- DegeneracyHunter is being deprecated in favor of the new DiagnosticsToolbox. The features and capabilities of DegeneracyHunter will be moved over to the DiagnositcsToolbox in the coming months.
- Removal of usage of Pyomo's `expr.current` due to deprecation upstream.
- Removed support for radial basis functions in ALAMOpy as these did not work in the current implementation. Those wishing to use radial basis functions should use Pysmo instead.

New Capabilities

- MSContactor model for unit operations involving mass transfer between 2 or more streams, such as membrane, solvent extraction and solids leaching operations.

Other Improvements

- Improved formulation for solubility products with additional parameters for better scaling of terms
- Better backward compatibility, verification and robustness testing of core models and APIs
- Added support for Separator models without energy balances

New IDAES Examples Repository

Starting with this release, the IDAES examples are developed in the new [IDAES/examples](https://github.com/IDAES/examples) repository.

Along with many content and usability improvements, the most significant changes are:

- To install the examples, after installing IDAES, run `pip install idaes-examples`
- The `idaes get-examples` command, previously used for this, has been removed
- The HTML version is now available at https://idaes-examples.readthedocs.io
- The previous URL, https://idaes.github.io/examples-pse, will not be updated and may be removed at some point in the future

For more details, refer to the resources available at [IDAES/examples](https://github.com/IDAES/examples).

Removal of Non-Functional Apps

A review of the code in the idaes/apps and idaes/models_extra folders was undertaken, and a number of tools were identified as being outdated or non-functional and no longer supported by their development teams. Due to this, the following tools have been removed:

idaes/apps/alamopy_depr (note that the new ALAMOpy interface remains avaialble in idaes/core/surrogates)
idaes/apps/helmet
idaes/apps/ripe
idaes/apps/roundingRegression
idaes/models_extra/carbon_capture