- Move Chi2.hpp from include/aare/ to src/ (private)
- Pimpl on FitModel<Model>: MnUserParameters/MnStrategy behind opaque
src/FitModelImpl.hpp, no Minuit2 includes in public headers
- Move fit_pixel/fit_3d bodies to Fit.cpp with explicit instantiations
for all 8 models; drop FCN template param from public API
- CMake: aare::Minuit2 wrapped in $<BUILD_INTERFACE:...> (hidden from
exported targets, same pattern as lmfit), MINUIT2_INSTALL OFF, Chi2.hpp
removed from PUBLICHEADERS
- Update python bindings and benchmark callsites accordingly
---------
Co-authored-by: Erik Fröjdh <erik.frojdh@psi.ch>
Co-authored-by: Alice <alice.mazzoleni@psi.ch>
To improve codebase quality and reduce human error, this PR introduces
the pre-commit framework. This ensures that all code adheres to project
standards before it is even committed, maintaining a consistent style
and catching common mistakes early.
Key Changes:
- Code Formatting: Automated C++ formatting using clang-format (based on
the project's .clang-format file).
- Syntax Validation: Basic checks for file integrity and syntax.
- Spell Check: Automated scanning for typos in source code and comments.
- CMake Formatting: Standardization of CMakeLists.txt and .cmake
configuration files.
- GitHub Workflow: Added a CI action that validates every Pull Request
against the pre-commit configuration to ensure compliance.
The configuration includes a [ci] block to handle automated fixes within
the PR. Currently, this is disabled. If we want the CI to automatically
commit formatting fixes back to the PR branch, this can be toggled to
true in .pre-commit-config.yaml.
```yaml
ci:
autofix_commit_msg: [pre-commit] auto fixes from pre-commit hooks
autofix_prs: false
autoupdate_schedule: monthly
```
The last large commit with the fit functions, for example, was not
formatted according to the clang-format rules. This PR would allow to
avoid similar mistakes in the future.
Python fomat with `ruff` for tests and sanitiser for `.ipynb` notebooks
can be added as well.
## Unified Minuit2 fitting framework with FitModel API
### Models (`Models.hpp`)
Consolidate all model structs (Gaussian, RisingScurve, FallingScurve)
into a
single header. Each model provides: `eval`, `eval_and_grad`, `is_valid`,
`estimate_par`, `compute_steps`, and `param_info` metadata. No Minuit2
dependency.
### Chi2 functors (`Chi2.hpp`)
Generic `Chi2Model1DGrad` (analytic gradient) templated on the model
struct.
Replaces the separate Chi2Gaussian, Chi2GaussianGradient,
Chi2Scurves, and Chi2ScurvesGradient headers.
### FitModel (`FitModel.hpp`)
Configuration object wrapping `MnUserParameters`, strategy, tolerance,
and
user-override tracking. User constraints (fixed parameters, start
values, limits)
always take precedence over automatic data-driven estimates.
### Fit functions (`Fit.hpp`)
- `fit_pixel<Model, FCN>(model, x, y, y_err)` -> single-pixel,
self-contained
- `fit_pixel<Model, FCN>(model, upar_local, x, y, y_err)` -> pre-cloned
upar for hot loops
- `fit_3d<Model, FCN>(model, x, y, y_err, ..., n_threads)` ->
row-parallel over pixel grid
### Python bindings
- `Pol1`, `Pol2`, `Gaussian`, `RisingScurve`, `FallingScurve` model
classes with
`FixParameter`, `SetParLimits`, `SetParameter`, and properties for
`max_calls`, `tolerance`, `compute_errors`
- Single `fit(model, x, y, y_err, n_threads)` dispatch replacing the old
`fit_gaus_minuit`, `fit_gaus_minuit_grad`, `fit_scurve_minuit_grad`,
etc.
### Benchmarks
- Updated `fit_benchmark.cpp` (Google Benchmark) to use the new FitModel
API
- Jupyter notebooks for 1D and 3D S-curve fitting (lmfit vs Minuit2
analytic)
- ~1.8x speedup over lmfit, near-linear thread scaling up to physical
core count
---------
Co-authored-by: Erik Fröjdh <erik.frojdh@psi.ch>
lunin_landGitHub