fitwise 0.1.0__tar.gz

fitwise-0.1.0/.gitignore

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+# Byte-compiled / optimized / DLL files
+__pycache__/
+*.py[codz]
+*$py.class
+
+# C extensions
+*.so
+
+# Distribution / packaging
+.Python
+build/
+develop-eggs/
+dist/
+downloads/
+eggs/
+.eggs/
+lib/
+lib64/
+parts/
+sdist/
+var/
+wheels/
+share/python-wheels/
+*.egg-info/
+.installed.cfg
+*.egg
+MANIFEST
+
+# PyInstaller
+#   Usually these files are written by a python script from a template
+#   before PyInstaller builds the exe, so as to inject date/other infos into it.
+*.manifest
+*.spec
+
+# Installer logs
+pip-log.txt
+pip-delete-this-directory.txt
+
+# Unit test / coverage reports
+htmlcov/
+.tox/
+.nox/
+.coverage
+.coverage.*
+.cache
+nosetests.xml
+coverage.xml
+*.cover
+*.py.cover
+*.lcov
+.hypothesis/
+.pytest_cache/
+cover/
+
+# Translations
+*.mo
+*.pot
+
+# Django stuff:
+*.log
+local_settings.py
+db.sqlite3
+db.sqlite3-journal
+
+# Flask stuff:
+instance/
+.webassets-cache
+
+# Scrapy stuff:
+.scrapy
+
+# Sphinx documentation
+docs/_build/
+
+# PyBuilder
+.pybuilder/
+target/
+
+# Jupyter Notebook
+.ipynb_checkpoints
+
+# IPython
+profile_default/
+ipython_config.py
+
+# pyenv
+#   For a library or package, you might want to ignore these files since the code is
+#   intended to run in multiple environments; otherwise, check them in:
+# .python-version
+
+# pipenv
+#   According to pypa/pipenv#598, it is recommended to include Pipfile.lock in version control.
+#   However, in case of collaboration, if having platform-specific dependencies or dependencies
+#   having no cross-platform support, pipenv may install dependencies that don't work, or not
+#   install all needed dependencies.
+# Pipfile.lock
+
+# uv
+#   Similar to Pipfile.lock, it is generally recommended to include uv.lock in version control.
+#   This is especially recommended for binary packages to ensure reproducibility, and is more
+#   commonly ignored for libraries.
+# uv.lock
+
+# poetry
+#   Similar to Pipfile.lock, it is generally recommended to include poetry.lock in version control.
+#   This is especially recommended for binary packages to ensure reproducibility, and is more
+#   commonly ignored for libraries.
+#   https://python-poetry.org/docs/basic-usage/#commit-your-poetrylock-file-to-version-control
+# poetry.lock
+# poetry.toml
+
+# pdm
+#   Similar to Pipfile.lock, it is generally recommended to include pdm.lock in version control.
+#   pdm recommends including project-wide configuration in pdm.toml, but excluding .pdm-python.
+#   https://pdm-project.org/en/latest/usage/project/#working-with-version-control
+# pdm.lock
+# pdm.toml
+.pdm-python
+.pdm-build/
+
+# pixi
+#   Similar to Pipfile.lock, it is generally recommended to include pixi.lock in version control.
+# pixi.lock
+#   Pixi creates a virtual environment in the .pixi directory, just like venv module creates one
+#   in the .venv directory. It is recommended not to include this directory in version control.
+.pixi/*
+!.pixi/config.toml
+
+# PEP 582; used by e.g. github.com/David-OConnor/pyflow and github.com/pdm-project/pdm
+__pypackages__/
+
+# Celery stuff
+celerybeat-schedule*
+celerybeat.pid
+
+# Redis
+*.rdb
+*.aof
+*.pid
+
+# RabbitMQ
+mnesia/
+rabbitmq/
+rabbitmq-data/
+
+# ActiveMQ
+activemq-data/
+
+# SageMath parsed files
+*.sage.py
+
+# Environments
+.env
+.envrc
+.venv
+env/
+venv/
+ENV/
+env.bak/
+venv.bak/
+
+# Spyder project settings
+.spyderproject
+.spyproject
+
+# Rope project settings
+.ropeproject
+
+# mkdocs/Zensical documentation
+/site
+
+# mypy
+.mypy_cache/
+.dmypy.json
+dmypy.json
+
+# Pyre type checker
+.pyre/
+
+# pytype static type analyzer
+.pytype/
+
+# Cython debug symbols
+cython_debug/
+
+# PyCharm
+#   JetBrains specific template is maintained in a separate JetBrains.gitignore that can
+#   be found at https://github.com/github/gitignore/blob/main/Global/JetBrains.gitignore
+#   and can be added to the global gitignore or merged into this file.  For a more nuclear
+#   option (not recommended) you can uncomment the following to ignore the entire idea folder.
+# .idea/
+
+# Abstra
+#   Abstra is an AI-powered process automation framework.
+#   Ignore directories containing user credentials, local state, and settings.
+#   Learn more at https://abstra.io/docs
+.abstra/
+
+# Visual Studio Code
+#   Visual Studio Code specific template is maintained in a separate VisualStudioCode.gitignore that
+#   can be found at https://github.com/github/gitignore/blob/main/Global/VisualStudioCode.gitignore
+#   and can be added to the global gitignore or merged into this file. However, if you prefer, you
+#   could uncomment the following to ignore the entire vscode folder
+# .vscode/
+# Temporary file for partial code execution
+tempCodeRunnerFile.py
+
+# Ruff stuff:
+.ruff_cache/
+
+# PyPI configuration file
+.pypirc
+
+# Marimo
+marimo/_static/
+marimo/_lsp/
+__marimo__/
+
+# Streamlit
+.streamlit/secrets.toml
+
+# macOS
+.DS_Store
+
+# Sphinx / sphinx-gallery output
+docs/_build/
+docs/auto_examples/
+docs/generated/
+docs/sg_execution_times.rst

fitwise-0.1.0/CHANGELOG.md

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+# Changelog
+
+All notable changes to this project are documented in this file.
+The format follows [Keep a Changelog](https://keepachangelog.com/en/1.1.0/),
+and the project adheres to [Semantic Versioning](https://semver.org/).
+
+## [Unreleased]
+
+## [0.1.0] - 2026-10-22
+
+First public release.
+
+### Added
+
+- `fitwise.fit()` with `yerr`, `p0`, `bounds`, `fixed`, `scale_covar` and `nan_policy`.
+- `Model` from plain Python functions; composition with `+` and `*`, automatic prefixes.
+- Built-in models: `constant`, `linear`, `polynomial`, `gaussian`, `lorentzian`, `voigt`,
+  `exponential`, `sigmoid`, `powerlaw`, `damped_sine`, all with starting-value heuristics.
+- Nonlinear least squares on `scipy.optimize.least_squares` with normalized parameters and
+  restarts; all 27 NIST StRD problems are solved from both starting points.
+- `FitResult` with goodness-of-fit statistics, a documented covariance convention and
+  warnings for questionable results.
+- Text report, `plot()` with residual panel, `to_dict()` for JSON export.
+- Documentation: quickstart, guides on models and uncertainties, 10 gallery examples.
+
+[Unreleased]: https://github.com/maroba/fitwise/compare/v0.1.0...HEAD
+[0.1.0]: https://github.com/maroba/fitwise/releases/tag/v0.1.0

fitwise-0.1.0/LICENSE

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+BSD 3-Clause License
+
+Copyright (c) 2026, Matthias Baer
+
+Redistribution and use in source and binary forms, with or without
+modification, are permitted provided that the following conditions are met:
+
+1. Redistributions of source code must retain the above copyright notice, this
+   list of conditions and the following disclaimer.
+
+2. Redistributions in binary form must reproduce the above copyright notice,
+   this list of conditions and the following disclaimer in the documentation
+   and/or other materials provided with the distribution.
+
+3. Neither the name of the copyright holder nor the names of its
+   contributors may be used to endorse or promote products derived from
+   this software without specific prior written permission.
+
+THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
+AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
+DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE
+FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL
+DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR
+SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER
+CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY,
+OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
+OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.

fitwise-0.1.0/PKG-INFO

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+Metadata-Version: 2.5
+Name: fitwise
+Version: 0.1.0
+Summary: Curve fitting made easy: one call, one fit, one report you can trust.
+Project-URL: Homepage, https://github.com/maroba/fitwise
+Project-URL: Documentation, https://maroba.github.io/fitwise/
+Project-URL: Repository, https://github.com/maroba/fitwise
+Project-URL: Issues, https://github.com/maroba/fitwise/issues
+Project-URL: Changelog, https://github.com/maroba/fitwise/blob/main/CHANGELOG.md
+Author-email: Matthias Baer <matthias.r.baer@googlemail.com>
+License-Expression: BSD-3-Clause
+License-File: LICENSE
+Keywords: curve fitting,data analysis,least squares,lmfit,regression,uncertainty
+Classifier: Development Status :: 3 - Alpha
+Classifier: Intended Audience :: Education
+Classifier: Intended Audience :: Science/Research
+Classifier: Operating System :: OS Independent
+Classifier: Programming Language :: Python :: 3
+Classifier: Programming Language :: Python :: 3.11
+Classifier: Programming Language :: Python :: 3.12
+Classifier: Programming Language :: Python :: 3.13
+Classifier: Programming Language :: Python :: 3.14
+Classifier: Topic :: Scientific/Engineering :: Mathematics
+Classifier: Topic :: Scientific/Engineering :: Physics
+Classifier: Typing :: Typed
+Requires-Python: >=3.11
+Requires-Dist: lmfit>=1.3
+Requires-Dist: numpy>=1.26
+Requires-Dist: scipy>=1.12
+Provides-Extra: all
+Requires-Dist: matplotlib>=3.8; extra == 'all'
+Requires-Dist: odrpack>=0.6; extra == 'all'
+Requires-Dist: pandas>=2.1; extra == 'all'
+Requires-Dist: pint>=0.23; extra == 'all'
+Requires-Dist: sympy>=1.12; extra == 'all'
+Requires-Dist: uncertainties>=3.2; extra == 'all'
+Provides-Extra: batch
+Requires-Dist: pandas>=2.1; extra == 'batch'
+Provides-Extra: odr
+Requires-Dist: odrpack>=0.6; extra == 'odr'
+Provides-Extra: plot
+Requires-Dist: matplotlib>=3.8; extra == 'plot'
+Provides-Extra: symbolic
+Requires-Dist: sympy>=1.12; extra == 'symbolic'
+Provides-Extra: units
+Requires-Dist: pint>=0.23; extra == 'units'
+Requires-Dist: uncertainties>=3.2; extra == 'units'
+Description-Content-Type: text/markdown
+
+# fitwise
+
+**One call. One fit. One report you can trust.**
+
+[![Tests](https://github.com/maroba/fitwise/actions/workflows/test.yml/badge.svg)](https://github.com/maroba/fitwise/actions/workflows/test.yml)
+[![PyPI](https://img.shields.io/pypi/v/fitwise.svg)](https://pypi.org/project/fitwise/)
+[![License: BSD-3-Clause](https://img.shields.io/badge/license-BSD--3--Clause-blue.svg)](LICENSE)
+
+> **Status: alpha (0.1).** Fitting, built-in models, report, plot and export work and are
+> tested against the NIST reference data. The API may still change before 1.0.
+> **Documentation: https://maroba.github.io/fitwise/**
+
+`fitwise` is an ergonomic layer over [`lmfit`](https://lmfit.github.io/lmfit-py/) and
+[`scipy`](https://scipy.org/) for curve fitting in the lab. It brings no new solver of its own.
+Instead it makes the existing ones fast to use and hard to misuse:
+
+```python
+import fitwise as fw
+
+result = fw.fit(fw.models.gaussian, x, y, yerr=dy)
+print(result)              # report: parameters ± errors, χ²/ndf, R², correlations, warnings
+result.plot()              # data, fit, confidence band, residuals
+result.params["sigma"]     # value, uncertainty, unit
+```
+
+## What it does for you
+
+- **Picks the solver:** direct linear least squares when the model is linear in its parameters,
+  Levenberg–Marquardt otherwise, and orthogonal distance regression when `xerr` is given.
+- **Finds starting values,** including for your own functions, and shows how it found them.
+- **Gives honest uncertainties:** a documented covariance convention, confidence and prediction
+  bands, and bootstrap or profile likelihood on request.
+- **Warns instead of returning wrong numbers:** non-convergence, parameters at a bound, poor
+  χ²/ndf and strong correlations all show up in the report.
+- **Makes fits reproducible:** `result.to_dict()` captures everything needed to repeat the fit.
+
+## Installation
+
+```bash
+pip install fitwise            # core: numpy, scipy, lmfit
+pip install "fitwise[all]"     # + plotting, ODR, units, symbolic models, batch fits
+```
+
+## Development
+
+```bash
+uv sync --all-extras           # create .venv with all extras and dev tools
+uv run pre-commit install
+uv run pytest                  # fast tests
+uv run pytest -m nist          # NIST StRD reference suite
+```
+
+## License
+
+BSD-3-Clause

fitwise-0.1.0/README.md

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+# fitwise
+
+**One call. One fit. One report you can trust.**
+
+[![Tests](https://github.com/maroba/fitwise/actions/workflows/test.yml/badge.svg)](https://github.com/maroba/fitwise/actions/workflows/test.yml)
+[![PyPI](https://img.shields.io/pypi/v/fitwise.svg)](https://pypi.org/project/fitwise/)
+[![License: BSD-3-Clause](https://img.shields.io/badge/license-BSD--3--Clause-blue.svg)](LICENSE)
+
+> **Status: alpha (0.1).** Fitting, built-in models, report, plot and export work and are
+> tested against the NIST reference data. The API may still change before 1.0.
+> **Documentation: https://maroba.github.io/fitwise/**
+
+`fitwise` is an ergonomic layer over [`lmfit`](https://lmfit.github.io/lmfit-py/) and
+[`scipy`](https://scipy.org/) for curve fitting in the lab. It brings no new solver of its own.
+Instead it makes the existing ones fast to use and hard to misuse:
+
+```python
+import fitwise as fw
+
+result = fw.fit(fw.models.gaussian, x, y, yerr=dy)
+print(result)              # report: parameters ± errors, χ²/ndf, R², correlations, warnings
+result.plot()              # data, fit, confidence band, residuals
+result.params["sigma"]     # value, uncertainty, unit
+```
+
+## What it does for you
+
+- **Picks the solver:** direct linear least squares when the model is linear in its parameters,
+  Levenberg–Marquardt otherwise, and orthogonal distance regression when `xerr` is given.
+- **Finds starting values,** including for your own functions, and shows how it found them.
+- **Gives honest uncertainties:** a documented covariance convention, confidence and prediction
+  bands, and bootstrap or profile likelihood on request.
+- **Warns instead of returning wrong numbers:** non-convergence, parameters at a bound, poor
+  χ²/ndf and strong correlations all show up in the report.
+- **Makes fits reproducible:** `result.to_dict()` captures everything needed to repeat the fit.
+
+## Installation
+
+```bash
+pip install fitwise            # core: numpy, scipy, lmfit
+pip install "fitwise[all]"     # + plotting, ODR, units, symbolic models, batch fits
+```
+
+## Development
+
+```bash
+uv sync --all-extras           # create .venv with all extras and dev tools
+uv run pre-commit install
+uv run pytest                  # fast tests
+uv run pytest -m nist          # NIST StRD reference suite
+```
+
+## License
+
+BSD-3-Clause

fitwise-0.1.0/pyproject.toml

@@ -0,0 +1,170 @@
+[build-system]
+requires = ["hatchling"]
+build-backend = "hatchling.build"
+
+[project]
+name = "fitwise"
+dynamic = ["version"]
+description = "Curve fitting made easy: one call, one fit, one report you can trust."
+readme = "README.md"
+requires-python = ">=3.11"
+license = "BSD-3-Clause"
+license-files = ["LICENSE"]
+authors = [{ name = "Matthias Baer", email = "matthias.r.baer@googlemail.com" }]
+keywords = ["curve fitting", "least squares", "regression", "lmfit", "uncertainty", "data analysis"]
+classifiers = [
+    "Development Status :: 3 - Alpha",
+    "Intended Audience :: Science/Research",
+    "Intended Audience :: Education",
+    "Operating System :: OS Independent",
+    "Programming Language :: Python :: 3",
+    "Programming Language :: Python :: 3.11",
+    "Programming Language :: Python :: 3.12",
+    "Programming Language :: Python :: 3.13",
+    "Programming Language :: Python :: 3.14",
+    "Topic :: Scientific/Engineering :: Physics",
+    "Topic :: Scientific/Engineering :: Mathematics",
+    "Typing :: Typed",
+]
+dependencies = [
+    "numpy>=1.26",
+    "scipy>=1.12",
+    "lmfit>=1.3",
+]
+
+[project.optional-dependencies]
+plot = ["matplotlib>=3.8"]
+odr = ["odrpack>=0.6"]
+units = ["pint>=0.23", "uncertainties>=3.2"]
+symbolic = ["sympy>=1.12"]
+batch = ["pandas>=2.1"]
+all = ["fitwise[plot,odr,units,symbolic,batch]"]
+
+[project.urls]
+Homepage = "https://github.com/maroba/fitwise"
+Documentation = "https://maroba.github.io/fitwise/"
+Repository = "https://github.com/maroba/fitwise"
+Issues = "https://github.com/maroba/fitwise/issues"
+Changelog = "https://github.com/maroba/fitwise/blob/main/CHANGELOG.md"
+
+[dependency-groups]
+test = [
+    "pytest>=8.0",
+    "pytest-cov>=5.0",
+    "hypothesis>=6.100",
+]
+lint = [
+    "ruff>=0.14",
+    "mypy>=1.18",
+    "pre-commit>=4.0",
+    "scipy-stubs>=1.17.1.5",
+]
+docs = [
+    "sphinx>=8.0",
+    "pydata-sphinx-theme>=0.16",
+    "myst-parser>=4.0",
+    "sphinx-gallery>=0.19",
+    "sphinx-copybutton>=0.5",
+    "matplotlib>=3.8",
+]
+dev = [
+    { include-group = "test" },
+    { include-group = "lint" },
+]
+
+[tool.uv]
+default-groups = ["dev"]
+
+[tool.hatch.version]
+path = "src/fitwise/__init__.py"
+
+[tool.hatch.build.targets.wheel]
+packages = ["src/fitwise"]
+
+[tool.hatch.build.targets.sdist]
+include = ["/src", "/tests", "/LICENSE", "/README.md", "/CHANGELOG.md"]
+
+# --- Ruff ---------------------------------------------------------------
+
+[tool.ruff]
+line-length = 100
+target-version = "py311"
+
+[tool.ruff.format]
+# Code blocks in Markdown are aligned by hand for readability.
+exclude = ["*.md"]
+
+[tool.ruff.lint]
+select = [
+    "E", "W",   # pycodestyle
+    "F",        # pyflakes
+    "I",        # isort
+    "B",        # bugbear
+    "UP",       # pyupgrade
+    "N",        # pep8-naming
+    "SIM",      # simplify
+    "RUF",      # ruff-specific
+    "NPY",      # numpy
+    "PT",       # pytest style
+    "D",        # docstrings
+]
+ignore = [
+    "D105",     # magic methods need no docstring
+    "D107",     # __init__ is documented on the class
+    "RUF001",   # ambiguous unicode (σ, χ², ± are intended)
+    "RUF002",
+    "RUF003",
+]
+
+[tool.ruff.lint.pydocstyle]
+convention = "numpy"
+
+[tool.ruff.lint.per-file-ignores]
+"tests/**" = ["D"]
+"conftest.py" = ["D"]
+# sphinx-gallery: titled docstrings, imports per cell, physics symbols such as T or Ea
+"examples/**" = ["D", "E402", "N803", "N806", "N816"]
+"docs/**" = ["D"]
+
+# --- mypy ---------------------------------------------------------------
+
+[tool.mypy]
+python_version = "3.11"
+strict = true
+files = ["src/fitwise"]
+warn_unreachable = true
+
+[[tool.mypy.overrides]]
+module = ["lmfit.*", "odrpack.*", "pint.*", "uncertainties.*", "sympy.*"]
+ignore_missing_imports = true
+
+# --- pytest -------------------------------------------------------------
+
+[tool.pytest.ini_options]
+testpaths = ["tests", "src"]
+addopts = "--strict-markers --strict-config -ra --doctest-modules"
+xfail_strict = true
+filterwarnings = [
+    "error",
+    # deprecations in third-party packages must not break the suite, ours must
+    "default::DeprecationWarning",
+    "default::PendingDeprecationWarning",
+    "error::DeprecationWarning:fitwise",
+]
+markers = [
+    "slow: long-running tests (deselect with '-m \"not slow\"')",
+    "nist: NIST StRD nonlinear regression reference tests",
+]
+
+[tool.coverage.run]
+source = ["fitwise"]
+branch = true
+
+[tool.coverage.report]
+fail_under = 90
+show_missing = true
+exclude_also = [
+    "if TYPE_CHECKING:",
+    "@overload",
+    "raise NotImplementedError",
+]

fitwise-0.1.0/src/fitwise/__init__.py

@@ -0,0 +1,30 @@
+"""fitwise: curve fitting made easy.
+
+One call, one fit, one report you can trust.
+
+>>> import fitwise as fw
+>>> result = fw.fit(fw.models.gaussian, x, y, yerr=dy)  # doctest: +SKIP
+>>> print(result)  # doctest: +SKIP
+"""
+
+from fitwise import models, warnings
+from fitwise.api import fit
+from fitwise.model import CompositeModel, Model
+from fitwise.parameters import Parameter, Parameters
+from fitwise.result import FitResult
+from fitwise.warnings import FitWarning
+
+__version__ = "0.1.0"
+
+__all__ = [
+    "CompositeModel",
+    "FitResult",
+    "FitWarning",
+    "Model",
+    "Parameter",
+    "Parameters",
+    "__version__",
+    "fit",
+    "models",
+    "warnings",
+]

fitwise-0.1.0/src/fitwise/_typing.py

@@ -0,0 +1,11 @@
+"""Shared type aliases."""
+
+from typing import TypeAlias
+
+import numpy as np
+from numpy.typing import ArrayLike, NDArray
+
+FloatArray: TypeAlias = NDArray[np.float64]
+Bounds: TypeAlias = tuple[float, float]
+
+__all__ = ["ArrayLike", "Bounds", "FloatArray"]