diffpy.srfit 1.3__tar.gz → 3.1.0rc0__tar.gz

diffpy_srfit-3.1.0rc0/AUTHORS.rst

@@ -0,0 +1,10 @@
+Authors
+=======
+
+Christopher Farrow, Pavol Juhas, Simon J. L. Billinge, and members of the Billinge Group
+
+Contributors
+------------
+
+For a list of contributors, visit
+https://github.com/diffpy/diffpy.srfit/graphs/contributors

diffpy.srfit-1.3/LICENSE.txt → diffpy_srfit-3.1.0rc0/LICENSE.rst

@@ -9,9 +9,10 @@ Copyright (c) 2014, Australian Synchrotron Research Program Inc., ("ASRP")
 Copyright (c) 2006-2007, Board of Trustees of Michigan State University
 Copyright (c) 2008-2012, The Trustees of Columbia University in the City
     of New York
-
-Copyright (c) 2014-2017, Brookhaven Science Associates, Brookhaven National
+Copyright (c) 2014-2019, Brookhaven Science Associates, Brookhaven National
     Laboratory
+Copyright (c) 2020-2025, The Trustees of Columbia University in the City
+    of New York
 
 
 The "DiffPy-CMI" is distributed subject to the following license conditions:

diffpy_srfit-3.1.0rc0/MANIFEST.in

@@ -0,0 +1,14 @@
+graft src
+graft tests
+graft requirements
+
+include AUTHORS.rst LICENSE*.rst README.rst
+
+# Exclude all bytecode files and __pycache__ directories
+global-exclude *.py[cod]  # Exclude all .pyc, .pyo, and .pyd files.
+global-exclude .DS_Store  # Exclude Mac filesystem artifacts.
+global-exclude __pycache__  # Exclude Python cache directories.
+global-exclude .git*  # Exclude git files and directories.
+global-exclude .idea  # Exclude PyCharm project settings.
+exclude .codecov.yml
+exclude .coveragerc

diffpy_srfit-3.1.0rc0/PKG-INFO

@@ -0,0 +1,216 @@
+Metadata-Version: 2.4
+Name: diffpy.srfit
+Version: 3.1.0rc0
+Summary: Configurable code for solving atomic structures.
+Author-email: Simon Billinge <sb2896@columbia.edu>
+Maintainer-email: Simon Billinge <sb2896@columbia.edu>
+Project-URL: Homepage, https://github.com/diffpy/diffpy.srfit/
+Project-URL: Issues, https://github.com/diffpy/diffpy.srfit/issues/
+Keywords: regression,modelling,fitting,diffraction,PDF
+Classifier: Development Status :: 5 - Production/Stable
+Classifier: Environment :: Console
+Classifier: Intended Audience :: Developers
+Classifier: Intended Audience :: Science/Research
+Classifier: License :: OSI Approved :: BSD License
+Classifier: Operating System :: MacOS :: MacOS X
+Classifier: Operating System :: Microsoft :: Windows
+Classifier: Operating System :: POSIX
+Classifier: Operating System :: Unix
+Classifier: Programming Language :: Python :: 3.11
+Classifier: Programming Language :: Python :: 3.12
+Classifier: Programming Language :: Python :: 3.13
+Classifier: Topic :: Scientific/Engineering :: Physics
+Classifier: Topic :: Scientific/Engineering :: Chemistry
+Requires-Python: <3.14,>=3.11
+Description-Content-Type: text/x-rst
+License-File: LICENSE.rst
+License-File: LICENSE_DANSE.rst
+License-File: AUTHORS.rst
+Requires-Dist: matplotlib
+Requires-Dist: numpy
+Requires-Dist: scipy
+Dynamic: license-file
+
+|Icon| |title|_
+===============
+
+.. |title| replace:: diffpy.srfit
+.. _title: https://diffpy.github.io/diffpy.srfit
+
+.. |Icon| image:: https://avatars.githubusercontent.com/diffpy
+        :target: https://diffpy.github.io/diffpy.srfit
+        :height: 100px
+
+|PyPI| |Forge| |PythonVersion| |PR|
+
+|CI| |Codecov| |Black| |Tracking|
+
+.. |Black| image:: https://img.shields.io/badge/code_style-black-black
+        :target: https://github.com/psf/black
+
+.. |CI| image:: https://github.com/diffpy/diffpy.srfit/actions/workflows/matrix-and-codecov-on-merge-to-main.yml/badge.svg
+        :target: https://github.com/diffpy/diffpy.srfit/actions/workflows/matrix-and-codecov-on-merge-to-main.yml
+
+.. |Codecov| image:: https://codecov.io/gh/diffpy/diffpy.srfit/branch/main/graph/badge.svg
+        :target: https://codecov.io/gh/diffpy/diffpy.srfit
+
+.. |Forge| image:: https://img.shields.io/conda/vn/conda-forge/diffpy.srfit
+        :target: https://anaconda.org/conda-forge/diffpy.srfit
+
+.. |PR| image:: https://img.shields.io/badge/PR-Welcome-29ab47ff
+
+.. |PyPI| image:: https://img.shields.io/pypi/v/diffpy.srfit
+        :target: https://pypi.org/project/diffpy.srfit/
+
+.. |PythonVersion| image:: https://img.shields.io/pypi/pyversions/diffpy.srfit
+        :target: https://pypi.org/project/diffpy.srfit/
+
+.. |Tracking| image:: https://img.shields.io/badge/issue_tracking-github-blue
+        :target: https://github.com/diffpy/diffpy.srfit/issues
+
+diffpy.srfit
+============
+
+Configurable code for solving atomic structures.
+
+The diffpy.srfit package provides the framework for building a global optimizer
+on the fly from components such as function calculators (that calculate
+different data spectra), regression algorithms and structure models.  The
+software is capable of co-refinement using multiple information sources or
+models. It provides a uniform interface for various regression algorithms. The
+target function being optimized can be specified by the user according to the
+data available.
+
+Within the diffpy.srfit framework, any parameter used in describing the
+structure of a material can be passed as a refinable variable to the global
+optimizer.  Once parameters are declared as variables they can easily be turned
+"on" or "off", i.e. fixed or allowed to vary. Additionally, variables may be
+constrained to obey mathematical relationships with other parameters or
+variables used in the structural model. Restraints can be applied to
+variables, which adds a penalty to the refinement process commensurate with the
+deviation from the known value or range. The cost function can also be
+customized by the user. If the refinement contains multiple models, each model
+can have its own cost function which will be properly weighted and combined to
+obtain the total cost function. Additionally, diffpy.srfit is designed to be
+extensible, allowing the user to integrate external calculators to perform
+co-refinements with other techniques.
+
+For more information about the diffpy.srfit library, please consult our `online documentation <https://diffpy.github.io/diffpy.srfit>`_.
+
+Citation
+--------
+
+If you use diffpy.srfit in a scientific publication, we would like you to cite this package as
+
+
+   P. Juhás, C. L. Farrow, X. Yang, K. R. Knox and S. J. L. Billinge,
+   `Complex modeling: a strategy and software program for combining
+   multiple information sources to solve ill posed structure and
+   nanostructure inverse problems
+   <http://dx.doi.org/10.1107/S2053273315014473>`__,
+   *Acta Crystallogr. A* **71**, 562-568 (2015).
+
+Installation
+------------
+
+The preferred method is to use `Miniconda Python
+<https://docs.conda.io/projects/miniconda/en/latest/miniconda-install.html>`_
+and install from the "conda-forge" channel of Conda packages.
+
+To add "conda-forge" to the conda channels, run the following in a terminal. ::
+
+        conda config --add channels conda-forge
+
+We want to install our packages in a suitable conda environment.
+The following creates and activates a new environment named ``diffpy.srfit_env`` ::
+
+        conda create -n diffpy.srfit_env diffpy.srfit
+        conda activate diffpy.srfit_env
+
+To confirm that the installation was successful, type ::
+
+        python -c "import diffpy.srfit; print(diffpy.srfit.__version__)"
+
+The output should print the latest version displayed on the badges above.
+
+This will install the minimal `diffpy.srfit` installation.  It will often be used
+as along with other packages for manipulating and computing crystal structures
+and so on.  We also therefore recommend installing the following:
+
+* ``diffpy.structure`` - crystal structure container and parsers,
+  https://github.com/diffpy/diffpy.structure
+* ``pyobjcryst`` - Crystal and Molecule storage, rigid units, bond
+  length and bond angle restraints, https://github.com/diffpy/pyobjcryst
+
+Optimizations involving pair distribution functions PDF or bond valence
+sums require
+
+* ``diffpy.srreal`` - python library for PDF calculation,
+  https://github.com/diffpy/diffpy.srreal
+
+Optimizations involving small angle scattering or shape characteristic
+functions from the diffpy.srfit.sas module require
+
+* ``sas`` - module for calculation of P(R) in small-angle scattering
+  from the SasView project, http://www.sasview.org
+
+Fallback Installation
+---------------------
+
+If the above does not work, you can use ``pip`` to download and install the latest release from
+`Python Package Index <https://pypi.python.org>`_.
+To install using ``pip`` into your ``diffpy.srfit_env`` environment, type ::
+
+        pip install diffpy.srfit
+
+If you prefer to install from sources, after installing the dependencies, obtain the source archive from
+`GitHub <https://github.com/diffpy/diffpy.srfit/>`_. Once installed, ``cd`` into your ``diffpy.srfit`` directory
+and run the following ::
+
+        pip install .
+
+Getting Started
+---------------
+
+You may consult our `online documentation <https://diffpy.github.io/diffpy.srfit>`_ for tutorials and API references.
+
+Support and Contribute
+----------------------
+
+If you see a bug or want to request a feature, please `report it as an issue <https://github.com/diffpy/diffpy.srfit/issues>`_ and/or `submit a fix as a PR <https://github.com/diffpy/diffpy.srfit/pulls>`_.
+
+Feel free to fork the project and contribute. To install diffpy.srfit
+in a development mode, with its sources being directly used by Python
+rather than copied to a package directory, use the following in the root
+directory ::
+
+        pip install -e .
+
+To ensure code quality and to prevent accidental commits into the default branch, please set up the use of our pre-commit
+hooks.
+
+1. Install pre-commit in your working environment by running ``conda install pre-commit``.
+
+2. Initialize pre-commit (one time only) ``pre-commit install``.
+
+Thereafter your code will be linted by black and isort and checked against flake8 before you can commit.
+If it fails by black or isort, just rerun and it should pass (black and isort will modify the files so should
+pass after they are modified). If the flake8 test fails please see the error messages and fix them manually before
+trying to commit again.
+
+Improvements and fixes are always appreciated.
+
+Before contributing, please read our `Code of Conduct <https://github.com/diffpy/diffpy.srfit/blob/main/CODE_OF_CONDUCT.rst>`_.
+
+Contact
+-------
+
+For more information on diffpy.srfit please visit the project `web-page <https://diffpy.github.io/>`_ or email Simon Billinge at sb2896@columbia.edu.
+
+Acknowledgements
+----------------
+
+``diffpy.srfit`` is built and maintained with `scikit-package <https://scikit-package.github.io/scikit-package/>`_.
+
+The source code in *observable.py* was derived from the 1.0 version
+of the Caltech "Pyre" project.

diffpy_srfit-3.1.0rc0/README.rst

@@ -0,0 +1,183 @@
+|Icon| |title|_
+===============
+
+.. |title| replace:: diffpy.srfit
+.. _title: https://diffpy.github.io/diffpy.srfit
+
+.. |Icon| image:: https://avatars.githubusercontent.com/diffpy
+        :target: https://diffpy.github.io/diffpy.srfit
+        :height: 100px
+
+|PyPI| |Forge| |PythonVersion| |PR|
+
+|CI| |Codecov| |Black| |Tracking|
+
+.. |Black| image:: https://img.shields.io/badge/code_style-black-black
+        :target: https://github.com/psf/black
+
+.. |CI| image:: https://github.com/diffpy/diffpy.srfit/actions/workflows/matrix-and-codecov-on-merge-to-main.yml/badge.svg
+        :target: https://github.com/diffpy/diffpy.srfit/actions/workflows/matrix-and-codecov-on-merge-to-main.yml
+
+.. |Codecov| image:: https://codecov.io/gh/diffpy/diffpy.srfit/branch/main/graph/badge.svg
+        :target: https://codecov.io/gh/diffpy/diffpy.srfit
+
+.. |Forge| image:: https://img.shields.io/conda/vn/conda-forge/diffpy.srfit
+        :target: https://anaconda.org/conda-forge/diffpy.srfit
+
+.. |PR| image:: https://img.shields.io/badge/PR-Welcome-29ab47ff
+
+.. |PyPI| image:: https://img.shields.io/pypi/v/diffpy.srfit
+        :target: https://pypi.org/project/diffpy.srfit/
+
+.. |PythonVersion| image:: https://img.shields.io/pypi/pyversions/diffpy.srfit
+        :target: https://pypi.org/project/diffpy.srfit/
+
+.. |Tracking| image:: https://img.shields.io/badge/issue_tracking-github-blue
+        :target: https://github.com/diffpy/diffpy.srfit/issues
+
+diffpy.srfit
+============
+
+Configurable code for solving atomic structures.
+
+The diffpy.srfit package provides the framework for building a global optimizer
+on the fly from components such as function calculators (that calculate
+different data spectra), regression algorithms and structure models.  The
+software is capable of co-refinement using multiple information sources or
+models. It provides a uniform interface for various regression algorithms. The
+target function being optimized can be specified by the user according to the
+data available.
+
+Within the diffpy.srfit framework, any parameter used in describing the
+structure of a material can be passed as a refinable variable to the global
+optimizer.  Once parameters are declared as variables they can easily be turned
+"on" or "off", i.e. fixed or allowed to vary. Additionally, variables may be
+constrained to obey mathematical relationships with other parameters or
+variables used in the structural model. Restraints can be applied to
+variables, which adds a penalty to the refinement process commensurate with the
+deviation from the known value or range. The cost function can also be
+customized by the user. If the refinement contains multiple models, each model
+can have its own cost function which will be properly weighted and combined to
+obtain the total cost function. Additionally, diffpy.srfit is designed to be
+extensible, allowing the user to integrate external calculators to perform
+co-refinements with other techniques.
+
+For more information about the diffpy.srfit library, please consult our `online documentation <https://diffpy.github.io/diffpy.srfit>`_.
+
+Citation
+--------
+
+If you use diffpy.srfit in a scientific publication, we would like you to cite this package as
+
+
+   P. Juhás, C. L. Farrow, X. Yang, K. R. Knox and S. J. L. Billinge,
+   `Complex modeling: a strategy and software program for combining
+   multiple information sources to solve ill posed structure and
+   nanostructure inverse problems
+   <http://dx.doi.org/10.1107/S2053273315014473>`__,
+   *Acta Crystallogr. A* **71**, 562-568 (2015).
+
+Installation
+------------
+
+The preferred method is to use `Miniconda Python
+<https://docs.conda.io/projects/miniconda/en/latest/miniconda-install.html>`_
+and install from the "conda-forge" channel of Conda packages.
+
+To add "conda-forge" to the conda channels, run the following in a terminal. ::
+
+        conda config --add channels conda-forge
+
+We want to install our packages in a suitable conda environment.
+The following creates and activates a new environment named ``diffpy.srfit_env`` ::
+
+        conda create -n diffpy.srfit_env diffpy.srfit
+        conda activate diffpy.srfit_env
+
+To confirm that the installation was successful, type ::
+
+        python -c "import diffpy.srfit; print(diffpy.srfit.__version__)"
+
+The output should print the latest version displayed on the badges above.
+
+This will install the minimal `diffpy.srfit` installation.  It will often be used
+as along with other packages for manipulating and computing crystal structures
+and so on.  We also therefore recommend installing the following:
+
+* ``diffpy.structure`` - crystal structure container and parsers,
+  https://github.com/diffpy/diffpy.structure
+* ``pyobjcryst`` - Crystal and Molecule storage, rigid units, bond
+  length and bond angle restraints, https://github.com/diffpy/pyobjcryst
+
+Optimizations involving pair distribution functions PDF or bond valence
+sums require
+
+* ``diffpy.srreal`` - python library for PDF calculation,
+  https://github.com/diffpy/diffpy.srreal
+
+Optimizations involving small angle scattering or shape characteristic
+functions from the diffpy.srfit.sas module require
+
+* ``sas`` - module for calculation of P(R) in small-angle scattering
+  from the SasView project, http://www.sasview.org
+
+Fallback Installation
+---------------------
+
+If the above does not work, you can use ``pip`` to download and install the latest release from
+`Python Package Index <https://pypi.python.org>`_.
+To install using ``pip`` into your ``diffpy.srfit_env`` environment, type ::
+
+        pip install diffpy.srfit
+
+If you prefer to install from sources, after installing the dependencies, obtain the source archive from
+`GitHub <https://github.com/diffpy/diffpy.srfit/>`_. Once installed, ``cd`` into your ``diffpy.srfit`` directory
+and run the following ::
+
+        pip install .
+
+Getting Started
+---------------
+
+You may consult our `online documentation <https://diffpy.github.io/diffpy.srfit>`_ for tutorials and API references.
+
+Support and Contribute
+----------------------
+
+If you see a bug or want to request a feature, please `report it as an issue <https://github.com/diffpy/diffpy.srfit/issues>`_ and/or `submit a fix as a PR <https://github.com/diffpy/diffpy.srfit/pulls>`_.
+
+Feel free to fork the project and contribute. To install diffpy.srfit
+in a development mode, with its sources being directly used by Python
+rather than copied to a package directory, use the following in the root
+directory ::
+
+        pip install -e .
+
+To ensure code quality and to prevent accidental commits into the default branch, please set up the use of our pre-commit
+hooks.
+
+1. Install pre-commit in your working environment by running ``conda install pre-commit``.
+
+2. Initialize pre-commit (one time only) ``pre-commit install``.
+
+Thereafter your code will be linted by black and isort and checked against flake8 before you can commit.
+If it fails by black or isort, just rerun and it should pass (black and isort will modify the files so should
+pass after they are modified). If the flake8 test fails please see the error messages and fix them manually before
+trying to commit again.
+
+Improvements and fixes are always appreciated.
+
+Before contributing, please read our `Code of Conduct <https://github.com/diffpy/diffpy.srfit/blob/main/CODE_OF_CONDUCT.rst>`_.
+
+Contact
+-------
+
+For more information on diffpy.srfit please visit the project `web-page <https://diffpy.github.io/>`_ or email Simon Billinge at sb2896@columbia.edu.
+
+Acknowledgements
+----------------
+
+``diffpy.srfit`` is built and maintained with `scikit-package <https://scikit-package.github.io/scikit-package/>`_.
+
+The source code in *observable.py* was derived from the 1.0 version
+of the Caltech "Pyre" project.

diffpy_srfit-3.1.0rc0/pyproject.toml

@@ -0,0 +1,80 @@
+[build-system]
+requires = ["setuptools>=62.0", "setuptools-git-versioning>=2.0"]
+build-backend = "setuptools.build_meta"
+
+[project]
+name = "diffpy.srfit"
+dynamic=['version', 'dependencies']
+authors = [
+  { name="Simon Billinge", email="sb2896@columbia.edu" },
+]
+maintainers = [
+  { name="Simon Billinge", email="sb2896@columbia.edu" },
+]
+description = "Configurable code for solving atomic structures."
+keywords = ['regression', 'modelling', 'fitting', 'diffraction', 'PDF']
+readme = "README.rst"
+requires-python = ">=3.11, <3.14"
+classifiers = [
+        'Development Status :: 5 - Production/Stable',
+        'Environment :: Console',
+        'Intended Audience :: Developers',
+        'Intended Audience :: Science/Research',
+        'License :: OSI Approved :: BSD License',
+        'Operating System :: MacOS :: MacOS X',
+        'Operating System :: Microsoft :: Windows',
+        'Operating System :: POSIX',
+        'Operating System :: Unix',
+        'Programming Language :: Python :: 3.11',
+        'Programming Language :: Python :: 3.12',
+        'Programming Language :: Python :: 3.13',
+        'Topic :: Scientific/Engineering :: Physics',
+        'Topic :: Scientific/Engineering :: Chemistry',
+]
+
+[project.urls]
+Homepage = "https://github.com/diffpy/diffpy.srfit/"
+Issues = "https://github.com/diffpy/diffpy.srfit/issues/"
+
+[tool.setuptools-git-versioning]
+enabled = true
+template = "{tag}"
+dev_template = "{tag}"
+dirty_template = "{tag}"
+
+[tool.setuptools.packages.find]
+where = ["src"]  # list of folders that contain the packages (["."] by default)
+include = ["*"]  # package names should match these glob patterns (["*"] by default)
+exclude = []  # exclude packages matching these glob patterns (empty by default)
+namespaces = false  # to disable scanning PEP 420 namespaces (true by default)
+
+[tool.setuptools.dynamic]
+dependencies = {file = ["requirements/pip.txt"]}
+
+[tool.codespell]
+exclude-file = ".codespell/ignore_lines.txt"
+ignore-words = ".codespell/ignore_words.txt"
+skip = "*.cif,*.dat"
+
+[tool.black]
+line-length = 79
+include = '\.pyi?$'
+exclude = '''
+/(
+    \.git
+  | \.hg
+  | \.mypy_cache
+  | \.tox
+  | \.venv
+  | \.rst
+  | \.txt
+  | _build
+  | buck-out
+  | build
+  | dist
+
+  # The following are specific to Black, you probably don't want those.
+  | blib2to3
+  | tests/data
+)/
+'''

diffpy_srfit-3.1.0rc0/requirements/conda.txt

@@ -0,0 +1,3 @@
+matplotlib-base
+numpy
+scipy

diffpy_srfit-3.1.0rc0/requirements/docs.txt

@@ -0,0 +1,5 @@
+sphinx
+sphinx_rtd_theme
+sphinx-copybutton
+doctr
+m2r

diffpy_srfit-3.1.0rc0/requirements/pip.txt

@@ -0,0 +1,3 @@
+matplotlib
+numpy
+scipy

diffpy_srfit-3.1.0rc0/requirements/test.txt

@@ -0,0 +1,7 @@
+flake8
+pytest
+codecov
+coverage
+pytest-cov
+pytest-env
+sympy

diffpy_srfit-3.1.0rc0/src/diffpy/__init__.py

@@ -0,0 +1,15 @@
+#!/usr/bin/env python
+##############################################################################
+#
+# (c) 2008-2025 The Trustees of Columbia University in the City of New York.
+# All rights reserved.
+#
+# File coded by: Chris Farrow and Billinge Group members and community
+# contributors.
+#
+# See GitHub contributions for a more detailed list of contributors.
+# https://github.com/diffpy/diffpy.srfit/graphs/contributors
+#
+# See LICENSE.rst for license information.
+#
+##############################################################################

diffpy_srfit-3.1.0rc0/src/diffpy/srfit/__init__.py

@@ -0,0 +1,41 @@
+#!/usr/bin/env python
+##############################################################################
+#
+# (c) 2008-2025 The Trustees of Columbia University in the City of New York.
+# All rights reserved.
+#
+# File coded by: Christopher Farrow, Pavol Juhas, and members of the
+# Billinge Group.
+#
+# See GitHub contributions for a more detailed list of contributors.
+# https://github.com/diffpy/diffpy.srfit/graphs/contributors
+#
+# See LICENSE.rst for license information.
+#
+##############################################################################
+"""Complex modeling framework for structure refinement and solution.
+
+SrFit is a tool for coherently combining known information about a
+material to derive other properties, in particular material structure.
+SrFit allows the customization and creation of structure
+representations, profile calculators, constraints, restraints and file
+input parsers. The customized pieces can be glued together within SrFit
+to optimize a structure, or other physically relevant information from
+one or more experimental profiles. Other known information about the
+system of interest can be included with arbitrarily complex constraints
+and restraints. In this way, the end user creates a customized fitting
+application that suits the problem to the available information.
+
+The subpackages herein define various pieces of the SrFit framework.
+Developers are encouraged to work through the examples described in the
+documentation to learn how to use and customize the various parts of
+SrFit.
+"""
+
+# package version
+from diffpy.srfit.version import __version__
+
+# silence the pyflakes syntax checker
+assert __version__ or True
+
+# End of file

{diffpy.srfit-1.3 → diffpy_srfit-3.1.0rc0}/src/diffpy/srfit/equation/__init__.py

@@ -12,21 +12,20 @@
 # See LICENSE_DANSE.txt for license information.
 #
 ##############################################################################
-
 """The core equation evaluator for diffpy.srfit.
 
-This package contains modules and subpackages that are used to create Equation
-objects. The Equation class is an encapsulation of a lazy evaluation network
-that is used throughout SrFit. The EquationsFactory class is used to create
-Equation objects from strings and can incorporate user-defined functions as
-well as default operations.
+This package contains modules and subpackages that are used to create
+Equation objects. The Equation class is an encapsulation of a lazy
+evaluation network that is used throughout SrFit. The EquationsFactory
+class is used to create Equation objects from strings and can
+incorporate user-defined functions as well as default operations.
 
 The subpackages define various pieces of the evaluation network.
 """
 
 __all__ = ["Equation"]
 
-from diffpy.srfit.equation.equationmod import Equation
 
+from diffpy.srfit.equation.equationmod import Equation
 
 # End of file