Restructure residual calculation + Cstr - [opened]

[daklauss]

In GitLab by @d.klauss on Jun 25, 2024, 17:02

Merges add-dead-end-filtration -> master

TODOS:

• Move residual to module
  • Add tests
  • Add implementation for concentration
  • [>] Add implementation for viscosity (see Add residual implementation for visocisities #4)
• Add tests for CSTR (just a simple one to check all entries are combined correctly)

[daklauss]

In GitLab by @d.klauss on Jul 2, 2024, 13:58

added 3 commits

• 987fe55 - made myself confortable with pytest, added some tests and residuals
• fe80b34 - added residual and testfiles
• 88ac183 - added a smol test

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[daklauss]

In GitLab by @d.klauss on Jul 3, 2024, 14:59

added 1 commit

• f1242ae - removed false risidual, + cstr residual v<0 => error

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[daklauss]

In GitLab by @schmoelder on Jul 3, 2024, 17:29

Commented on CADETPythonSimulator/residual.py line 12

Please add doc strings.

[daklauss]

In GitLab by @d.klauss on Jul 3, 2024, 17:55

added 1 commit

• 8ef6753 - added some docstring

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[daklauss]

In GitLab by @d.klauss on Jul 4, 2024, 08:56

added 1 commit

• a5ccc36 - c should be a vector so -> np.array

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[daklauss]

In GitLab by @d.klauss on Jul 4, 2024, 10:06

added 1 commit

• 7c4a2f4 - improved testing residual structure + errortesting

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[daklauss]

In GitLab by @schmoelder on Jul 4, 2024, 10:16

resolved all threads

[daklauss]

In GitLab by @d.klauss on Jul 4, 2024, 10:51

marked the checklist item Move residual to module as completed

[daklauss]

In GitLab by @d.klauss on Jul 4, 2024, 10:51

marked the checklist item Add tests as completed

[daklauss]

In GitLab by @d.klauss on Jul 4, 2024, 10:51

marked the checklist item Add implementation for concentration as completed

[daklauss]

In GitLab by @d.klauss on Jul 4, 2024, 10:56

added 2 commits

• a305d31 - seperated error testing in another class
• 1f9f5b2 - throw not implemented error @Viscosity

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[daklauss]

In GitLab by @schmoelder on Jul 4, 2024, 12:02

Commented on CADETPythonSimulator/unit_operation.py line 577

[question] Does this automatically cast the "0" into the shape of the self.residuals['inlet']['viscosities'] array?

[alternative] Call the actual method. Raise a NotImplementedWarning and return "0" (or whatever shape is required).

[daklauss]

In GitLab by @schmoelder on Jul 4, 2024, 12:06

Commented on CADETPythonSimulator/residual.py line 4

Please add type annotations. :nerd:

(Sorry, hätte ich auch schon vorher beim Kommentar zu den docstrings schreiben können)

[daklauss]

In GitLab by @schmoelder on Jul 4, 2024, 12:06

Commented on CADETPythonSimulator/exception.py line 2

[question] Should we make this a base class for Exceptions (e.g. the NotInitializedError)?

[daklauss]

In GitLab by @schmoelder on Jul 4, 2024, 12:06

Commented on CADETPythonSimulator/unit_operation.py line 584

[formatting] Remove comments, they are now tracked in the PR (or issues)