✨ Complete internal rewrite - new result API #1562
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Which is more consistent with 0.7 API
for more information, see https://pre-commit.ci
Forward port of 🩹 Fix prepare_dataset's add_svd_to_dataset function (glotaran#1522)
by making each init use named arguments
This fix relies on assert to narrow down types. However using more uniform interfaces would be a more desirable way to solve this, but this is out of scope for a review fix.
_associated_amplitude_ -> _associated_amplitudes_ _associated_concentration_ -> _associated_concentrations_
for more information, see https://pre-commit.ci
for more information, see https://pre-commit.ci
to be more consistent with model/scheme definition
Make calculate_parameter_errors a seperate function
On the basis of user feedback
- removes extras - add activations - unpack (what was in) data to top level including: -- input_data -- residual(s) - make fitted_data a property (computed on the fly) - make keyword arguments only
and fix some formatting
DatasetResult -> OptimizationResult (possible because of precious optimization_info refactor) Give DOAS and kinetic test more meaningful names
Reduced of 3 fails in total unit tests
Co-authored-by: s-weigand <s.weigand.phy@gmail.com>
Maybe rename it at some point ^^
🧰✨ Add toml formatter and linter hook
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to evaluate later
pydantic.errors.PydanticUserError: `ExperimentModel` is not fully defined; you should define `ParameterType`, then call `ExperimentModel.model_rebuild()`.
Change optimization.objective to use this method instead
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TODO: summarize the close to 200 commits.
Joined effort from maintainers:
Change summary
Checklist
Closes issues
closes #XXXX