Metadata-Version: 2.2
Name: PyMieSim
Version: 5.7.1
Summary: A package for light scattering (Mie) computation.
Keywords: mie,scattering,backscatter,sphere,cylinder,nanoparticle,phase function,efficiency,rayleigh,backscattering
Author-Email: Martin Poinsinet de Sivry-Houle <martin.poinsinet.de.sivry@gmail.com>
License: MIT License
         
         Copyright (c) 2020 Martin Poinsinet de Sivry-Houle
         
         Permission is hereby granted, free of charge, to any person obtaining a copy
         of this software and associated documentation files (the "Software"), to deal
         in the Software without restriction, including without limitation the rights
         to use, copy, modify, merge, publish, distribute, sublicense, and/or sell
         copies of the Software, and to permit persons to whom the Software is
         furnished to do so, subject to the following conditions:
         
         The above copyright notice and this permission notice shall be included in all
         copies or substantial portions of the Software.
         
         THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR
         IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY,
         FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE
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         LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM,
         OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE
         SOFTWARE.
         
Classifier: Programming Language :: Python
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
Classifier: Programming Language :: Python :: 3.13
Classifier: Programming Language :: Python :: Implementation :: CPython
Classifier: Development Status :: 5 - Production/Stable
Classifier: Intended Audience :: Science/Research
Classifier: Intended Audience :: Developers
Classifier: Topic :: Scientific/Engineering :: Physics
Classifier: Topic :: Scientific/Engineering :: Mathematics
Classifier: Topic :: Scientific/Engineering :: Visualization
Classifier: Topic :: Software Development :: Libraries :: Python Modules
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Classifier: Framework :: Jupyter
Classifier: Framework :: Sphinx
Project-URL: Documentation, https://martinpdes.github.io/PyMieSim/
Project-URL: Repository, https://github.com/MartinPdeS/PyMieSim
Requires-Python: >=3.10
Requires-Dist: TypedUnit==0.0.11
Requires-Dist: MPSPlots==1.8.9
Requires-Dist: PyOptik==3.2.1
Requires-Dist: setuptools_scm[toml]<11,>=8
Requires-Dist: numpy==2.2.6
Requires-Dist: matplotlib==3.10.9
Requires-Dist: pandas~=2.3.0
Provides-Extra: testing
Requires-Dist: pytest>=8.0; extra == "testing"
Requires-Dist: pytest-cov>=5.0; extra == "testing"
Requires-Dist: pytest-json-report==1.5.0; extra == "testing"
Requires-Dist: coverage==7.16.1; extra == "testing"
Provides-Extra: documentation
Requires-Dist: numpydoc==1.11.0; extra == "documentation"
Requires-Dist: sphinx>=5.1.1; extra == "documentation"
Requires-Dist: sphinx-rtd-theme==3.1.0; extra == "documentation"
Requires-Dist: sphinx-gallery==0.21.0; extra == "documentation"
Requires-Dist: sphinx_design==0.6.1; extra == "documentation"
Requires-Dist: pydata-sphinx-theme==0.19.0; extra == "documentation"
Provides-Extra: dev
Requires-Dist: mypy<2,>=1.11; extra == "dev"
Requires-Dist: flake8==7.3.0; extra == "dev"
Requires-Dist: ruff==0.16.7; extra == "dev"
Description-Content-Type: text/x-rst

|logo|

.. list-table::
   :widths: 35 65
   :header-rows: 1

   * - Badge
     - Status
   * - Python versions
     - |python|
   * - Documentation
     - |docs|
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     - |ci/cd|
   * - Test coverage
     - |coverage|
   * - Google Colab
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   * - PyPI package
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     - |PyPI_download|
   * - Anaconda package
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   * - Latest Anaconda release
     - |anaconda_date|

PyMieSim
========

**PyMieSim** is an open-source Python package for fast and flexible Mie scattering simulations.
It supports spherical, cylindrical and core--shell particles and provides helper classes for custom sources and detectors.
The project targets both quick single-scatterer studies and large parametric experiments.

Try the live web GUI: `PyMieSim Parameter Sweep Lab <https://pymiesim.onrender.com/>`_.

Features
--------
- Solvers for spheres, cylinders and core--shell geometries.
- Built-in models for plane wave and Gaussian sources.
- Multiple detector types including photodiodes and coherent modes.
- Simple data analysis with pandas DataFrame outputs.

Installation
------------
PyMieSim is available on PyPI and Anaconda.  Install it with:

.. code-block:: bash

   pip install PyMieSim
   conda install PyMieSim  --channels MartinPdeS

This installs a pre-built wheel when one is available for your operating
system, architecture, and Python version. Wheels are the recommended option
for using PyMieSim because they include the compiled C++ and Fortran
extensions.

Verify the installation with the same Python interpreter that you will use for
your simulations:

.. code-block:: bash

   python -c "import PyMieSim; print(PyMieSim.__version__)"

Named optical materials use PyOptik's provenance-preserving
RefractiveIndex.INFO catalog. Initialize its local snapshot once before using
constructors such as ``SellmeierMaterial("BK7")`` or
``TabulatedMaterial("silver")``:

.. code-block:: bash

   python -m PyOptik setup

Building from source is intended for development or platforms without a
matching wheel. It requires a C++20 compiler, Fortran, CMake, pybind11, and
OpenMP; see
`troubleshooting <https://martinpdes.github.io/PyMieSim/troubleshooting.html>`_
if the compiled extension cannot be imported.

First simulation
----------------
Create a source, a scatterer, and a ``Simulation``.  Physical quantities use
the built-in ``ureg`` unit registry, while refractive indices are
dimensionless real or complex values.

.. code-block:: python

    from PyMieSim import (
        Gaussian,
        PolarizationState,
        Simulation,
        Sphere,
        ureg,
    )

    source = Gaussian(
        wavelength=633 * ureg.nanometer,
        polarization=PolarizationState(angle=0 * ureg.degree),
        optical_power=1e-3 * ureg.watt,
        numerical_aperture=0.2,
    )

    scatterer = Sphere(
        diameter=200 * ureg.nanometer,
        material=1.5 + 0.01j,
        medium=1.0,
    )

    simulation = Simulation(scatterer=scatterer, source=source)
    qsca = simulation.run("Qsca")
    print(qsca)

This prints a dimensionless scattering efficiency, approximately:

.. code-block:: text

   0.2080989068292113 dimensionless

Inspect the measures supported by the configured simulation with:

.. code-block:: python

   print(simulation.available_measures)

For explicit measure and unit metadata, request a typed result:

.. code-block:: python

   result = simulation.run("Qsca", as_result=True)
   print(result.measure, result.quantity, result.units)

Units and material conventions
------------------------------
Always attach units to wavelengths, lengths, powers, and angles:

.. code-block:: python

   633 * ureg.nanometer
   200 * ureg.nanometer
   1e-3 * ureg.watt
   0 * ureg.degree

Refractive indices are dimensionless.  A complex index such as
``1.5 + 0.01j`` represents an absorbing material under PyMieSim's optical
convention.  Built-in and tabulated materials have supported wavelength
ranges; use ``load_material`` and ``validate_wavelength`` when working with
real material data.

Parameter sweeps
----------------
Use ``Experiment`` when you want to evaluate several wavelengths, particle
sizes, or material parameters.  Results retain named dimensions and
coordinates, and can be converted to NumPy or pandas explicitly.

.. code-block:: python

   import numpy as np
   from PyMieSim import (
       Experiment,
       GaussianSet,
       PolarizationSet,
       SphereSet,
       ureg,
   )

   source = GaussianSet(
       wavelength=np.linspace(500, 700, 5) * ureg.nanometer,
       polarization=PolarizationSet(angles=0 * ureg.degree),
       optical_power=1e-3 * ureg.watt,
       numerical_aperture=0.2,
   )
   scatterer = SphereSet(
       diameter=np.linspace(100, 500, 9) * ureg.nanometer,
       material=1.5,
       medium=1.0,
   )

   experiment = Experiment(scatterer_set=scatterer, source_set=source)
   result = experiment.get("Qsca")
   values = result.as_numpy()
   dataframe = result.as_dataframe()

The experiment grid has five wavelength values and nine diameter values, so
``values.shape`` is ``(5, 9)``.  See the
`parameter sweep guide <https://martinpdes.github.io/PyMieSim/workflows/parameter_sweeps.html>`_
for multiple measures and plotting.

Detector coupling
-----------------
Add a detector when you need collected or coupled power rather than only a
scatterer property:

.. code-block:: python

   from PyMieSim import (
       Gaussian,
       Photodiode,
       PolarizationState,
       Simulation,
       Sphere,
       ureg,
   )

   single_source = Gaussian(
       wavelength=633 * ureg.nanometer,
       polarization=PolarizationState(angle=0 * ureg.degree),
       optical_power=1e-3 * ureg.watt,
       numerical_aperture=0.2,
   )
   single_scatterer = Sphere(
       diameter=200 * ureg.nanometer,
       material=1.5 + 0.01j,
       medium=1.0,
   )

   detector = Photodiode(
       sampling=500,
       numerical_aperture=0.2,
       phi_offset=0 * ureg.degree,
       gamma_offset=0 * ureg.degree,
       medium=1.0,
   )
   simulation = Simulation(
       scatterer=single_scatterer,
       source=single_source,
       detector=detector,
   )
   coupling = simulation.run("coupling")
   print(coupling)

``coupling`` requires a detector.  Other available detector types include
``CoherentMode`` and ``IntegratingSphere``; see the
`detector coupling guide <https://martinpdes.github.io/PyMieSim/workflows/detector_coupling.html>`_.

Common issues
-------------

* If ``import PyMieSim`` fails, run ``python -m pip show PyMieSim`` and check
  that it uses the same Python executable as your script.
* If a constructor reports a unit error, check that every dimensional input
  has units and convert it with ``.to(...)`` when necessary.
* If ``coupling`` is unavailable, add a detector and inspect
  ``simulation.available_measures``.
* For slow or memory-heavy sweeps, print ``experiment.array_shape`` and
  ``experiment.total_iterations`` before requesting a result.
* On servers or in CI, select a non-interactive Matplotlib backend such as
  ``Agg`` before importing plotting code.

See the `online documentation <https://martinpdes.github.io/PyMieSim/>`_ for
theory, performance guidance, runnable examples, and advanced near-field and
far-field workflows.


.. image:: https://github.com/MartinPdeS/PyMieSim/raw/master/docs/images/resonances.png
    :width: 1000
    :align: center
    :alt: Scattering efficiency of a 200 nm sphere with refractive index 4.0.


Code structure
---------------
Here is the architecture for a standard workflow using PyMieSim:

.. image:: https://github.com/MartinPdeS/PyMieSim/raw/master/docs/images/code_structure.png
   :width: 1000
   :align: center
   :alt: Code structure of a standard workflow using PyMieSim.

Developer setup
---------------
Clone the repository, select the Python interpreter you want to use, install
the development and testing dependencies, and build an editable installation:

.. code-block:: bash

   git clone https://github.com/MartinPdeS/PyMieSim.git
   cd PyMieSim
   python -m pip install ".[testing,documentation,dev]"
   python -m PyOptik setup --no-progress
   make PYTHON=python editable

``make editable`` builds the native extensions in the local ``build``
directory and installs them into the same environment. Always run tests with
that same interpreter:

.. code-block:: bash

   python -c "import PyMieSim; print(PyMieSim.__version__)"
   python -m pytest --config-file=pytest.ini

If the import reports missing native extensions, the build was not completed
for this interpreter. Re-run ``make editable`` after checking that CMake,
Fortran, pybind11, and OpenMP are installed. Do not mix build artifacts from
different Python versions or architectures.

Building from source manually
-----------------------------
The equivalent lower-level workflow is:

.. code-block:: bash

   python -m pip install --no-build-isolation -Cbuild-dir=build -e .

The editable workflow is preferred because it keeps the Python sources and
compiled extensions aligned. A released wheel does not require a compiler or
the native build toolchain.

Testing
-------
After the developer setup, run the unit tests with:

.. code-block:: bash

   python -m pytest --config-file=pytest.ini

Citing PyMieSim
---------------
If you use PyMieSim in academic work, please cite:

.. code-block:: none

   @article{PoinsinetdeSivry-Houle:23,
       author = {Martin Poinsinet de Sivry-Houle and Nicolas Godbout and Caroline Boudoux},
       journal = {Opt. Continuum},
       title = {PyMieSim: an open-source library for fast and flexible far-field Mie scattering simulations},
       volume = {2},
       number = {3},
       pages = {520--534},
       year = {2023},
       doi = {10.1364/OPTCON.473102},
   }

Contact
-------
For questions or contributions, contact `martin.poinsinet.de.sivry@gmail.com <mailto:martin.poinsinet.de.sivry@gmail.com>`_.

.. |logo| image:: https://github.com/MartinPdeS/PyMieSim/raw/master/docs/images/logo.png
    :alt: PyMieSim logo
.. |python| image:: https://img.shields.io/pypi/pyversions/pymiesim.svg
    :alt: Python
    :target: https://www.python.org/
.. |article| image:: https://img.shields.io/badge/Optics%20Continuum-PyMieSim-green.svg
    :alt: Scientific article
    :target: https://opg.optica.org/optcon/viewmedia.cfm?uri=optcon-2-3-520&html=true
.. |colab| image:: https://colab.research.google.com/assets/colab-badge.svg
    :alt: Google Colab
    :target: https://colab.research.google.com/github/MartinPdeS/PyMieSim/blob/master/notebook.ipynb
.. |docs| image:: https://github.com/martinpdes/pymiesim/actions/workflows/deploy_documentation.yml/badge.svg
    :target: https://martinpdes.github.io/PyMieSim/
    :alt: Documentation Status
.. |PyPI| image:: https://badge.fury.io/py/PyMieSim.svg
    :alt: PyPI version
    :target: https://badge.fury.io/py/PyMieSim
.. |PyPI_download| image:: https://api.pepy.tech/badge/PyMieSim/month
    :alt: PyPI downloads
    :target: https://pepy.tech/projects/pymiesim
.. |coverage| image:: https://raw.githubusercontent.com/MartinPdeS/PyMieSim/python-coverage-comment-action-data/badge.svg
    :alt: Unittest coverage
    :target: https://htmlpreview.github.io/?https://github.com/MartinPdeS/PyMieSim/blob/python-coverage-comment-action-data/htmlcov/index.html
.. |ci/cd| image:: https://github.com/martinpdes/pymiesim/actions/workflows/deploy_coverage.yml/badge.svg
    :alt: Unittest Status
.. |wikipedia_example| image:: https://github.com/MartinPdeS/PyMieSim/raw/master/docs/images/wikipedia_example.png
    :width: 800
    :alt: Example wikipedia
.. |example_plasmon| image:: https://github.com/MartinPdeS/PyMieSim/raw/master/docs/images/plasmonic_resonances.png
    :width: 800
    :alt: Plasmonic resonances
.. |example_qsca| image:: https://github.com/MartinPdeS/PyMieSim/raw/master/docs/images/Qsca_diameter.png
    :width: 800
    :alt: Qsca vs diameter
.. |anaconda| image:: https://anaconda.org/martinpdes/pymiesim/badges/version.svg
    :alt: Anaconda version
    :target: https://anaconda.org/martinpdes/pymiesim
.. |anaconda_download| image:: https://anaconda.org/martinpdes/pymiesim/badges/downloads.svg
    :alt: Anaconda downloads
    :target: https://anaconda.org/martinpdes/pymiesim
.. |anaconda_date| image:: https://anaconda.org/martinpdes/pymiesim/badges/latest_release_relative_date.svg
    :alt: Latest release date
    :target: https://anaconda.org/martinpdes/pymiesim
