SCF sampling code

.mypy.ini

@@ -0,0 +1,50 @@
+# Global options:
+
+[mypy]
+python_version = 3.8
+
+disallow_untyped_defs = True
+no_implicit_reexport = True
+
+warn_unused_configs = True
+warn_redundant_casts = True
+warn_unused_ignores = True
+no_warn_no_return = True
+warn_return_any = True
+warn_unreachable = True
+
+plugins = numpy.typing.mypy_plugin
+
+
+#######################################
+# Per-module options:
+
+[mypy-*/tests.*]
+ignore_errors = True
+
+#######################################
+# missing imports
+
+[mypy-astropy.*]
+ignore_missing_imports = True
+
+[mypy-numpy.*]
+ignore_missing_imports = True
+
+[mypy-matplotlib.*]
+ignore_missing_imports = True
+
+[mypy-galpy.*]
+ignore_missing_imports = True
+
+[mypy-pytest.*]
+ignore_missing_imports = True
+
+[mypy-pytest_astropy_header.display]
+ignore_missing_imports = True
+
+[mypy-scipy.*]
+ignore_missing_imports = True
+
+[mypy-setuptools_scm.*]
+ignore_missing_imports = True

README.rst

@@ -13,8 +13,8 @@ Self-Consistent Field (SCF).
 License
 -------
 
-This project is Copyright (c) nathaniel starkman and licensed under
-the terms of the BSD 3-Clause license. This package is based upon
+This project is Copyright (c) Nathaniel Starkman and Maintainers and licensed
+under the terms of the BSD 3-Clause license. This package is based upon
 the `Astropy package template <https://github.com/astropy/package-template>`_
 which is licensed under the BSD 3-clause license. See the licenses folder for
 more information.
@@ -25,29 +25,3 @@ Contributing
 
 We love contributions! sampleSCF is open source,
 built on open source, and we'd love to have you hang out in our community.
-
-**Imposter syndrome disclaimer**: We want your help. No, really.
-
-There may be a little voice inside your head that is telling you that you're not
-ready to be an open source contributor; that your skills aren't nearly good
-enough to contribute. What could you possibly offer a project like this one?
-
-We assure you - the little voice in your head is wrong. If you can write code at
-all, you can contribute code to open source. Contributing to open source
-projects is a fantastic way to advance one's coding skills. Writing perfect code
-isn't the measure of a good developer (that would disqualify all of us!); it's
-trying to create something, making mistakes, and learning from those
-mistakes. That's how we all improve, and we are happy to help others learn.
-
-Being an open source contributor doesn't just mean writing code, either. You can
-help out by writing documentation, tests, or even giving feedback about the
-project (and yes - that includes giving feedback about the contribution
-process). Some of these contributions may be the most valuable to the project as
-a whole, because you're coming to the project with fresh eyes, so you can see
-the errors and assumptions that seasoned contributors have glossed over.
-
-Note: This disclaimer was originally written by
-`Adrienne Lowe <https://github.com/adriennefriend>`_ for a
-`PyCon talk <https://www.youtube.com/watch?v=6Uj746j9Heo>`_, and was adapted by
-sampleSCF based on its use in the README file for the
-`MetPy project <https://github.com/Unidata/MetPy>`_.

docs/conf.py

@@ -25,7 +25,7 @@
 # Thus, any C-extensions that are needed to build the documentation will *not*
 # be accessible, and the documentation will not build correctly.
 
-# BUILT-IN
+# STDLIB
 import datetime
 import os
 import sys
@@ -146,7 +146,9 @@
 
 # Grouping the document tree into LaTeX files. List of tuples
 # (source start file, target name, title, author, documentclass [howto/manual]).
-latex_documents = [("index", project + ".tex", project + u" Documentation", author, "manual")]
+latex_documents = [
+    ("index", project + ".tex", project + u" Documentation", author, "manual"),
+]
 
 
 # -- Options for manual page output -------------------------------------------

docs/index.rst

@@ -0,0 +1,14 @@
+Documentation
+=============
+
+This is the documentation for sampleSCF.
+
+.. toctree::
+  :maxdepth: 2
+
+  sample_scf/index.rst
+
+.. note:: The layout of this directory is simply a suggestion.  To follow
+          traditional practice, do *not* edit this page, but instead place
+          all documentation for the package inside ``sample_scf/``.
+          You can follow this practice or choose your own layout.

docs/sample_scf/index.rst

@@ -0,0 +1,10 @@
+***********************
+sampleSCF Documentation
+***********************
+
+This is the documentation for sampleSCF.
+
+Reference/API
+=============
+
+.. automodapi:: sample_scf

pyproject.toml

@@ -1,5 +1,4 @@
 [build-system]
-
 requires = ["extension-helpers",
             "setuptools",
             "setuptools_scm",
@@ -8,21 +7,19 @@ requires = ["extension-helpers",
 build-backend = 'setuptools.build_meta'
 
 [tool.isort]
-line_length = 100
-multi_line_output = 3
-include_trailing_comma = "True"
-force_grid_wrap = 0
-use_parentheses = "True"
-ensure_newline_before_comments = "True"
-sections = ["FUTURE", "STDLIB", "THIRDPARTY", "FIRSTPARTY", "LOCALFOLDER"]
-
-known_third_party = ["astropy", "extension_helpers", "setuptools"]
-known_localfolder = "sample_scf"
+  profile = "black"
+  include_trailing_comma = "True"
+  force_grid_wrap = 0
+  use_parentheses = "True"
+  ensure_newline_before_comments = "True"
+  sections = ["FUTURE", "STDLIB", "THIRDPARTY", "FIRSTPARTY", "LOCALFOLDER"]
+  known_third_party = ["astropy", "extension_helpers", "galpy", "matplotlib", "numpy", "pytest", "scipy", "setuptools"]
+  known_localfolder = "sample_scf"
 
-import_heading_stdlib = "BUILT-IN"
-import_heading_thirdparty = "THIRD PARTY"
-import_heading_firstparty = "FIRST PARTY"
-import_heading_localfolder = "LOCAL"
+  import_heading_stdlib = "STDLIB"
+  import_heading_thirdparty = "THIRD PARTY"
+  import_heading_firstparty = "FIRST PARTY"
+  import_heading_localfolder = "LOCAL"
 
 [tool.black]
 line-length = 100

sample_scf/__init__.py

@@ -3,3 +3,14 @@
 
 # LOCAL
 from sample_scf._astropy_init import *  # isort: +split  # noqa: F401, F403
+from sample_scf.core import SCFSampler
+from sample_scf.exact import ExactSCFSampler
+from sample_scf.interpolated import InterpolatedSCFSampler
+from sample_scf.representation import FiniteSphericalRepresentation
+
+__all__ = [
+    "SCFSampler",
+    "ExactSCFSampler",
+    "InterpolatedSCFSampler",
+    "FiniteSphericalRepresentation",
+]

sample_scf/_astropy_init.py

@@ -1,6 +1,6 @@
 # -*- coding: utf-8 -*-
 # Licensed under a 3-clause BSD style license - see LICENSE.rst
-# BUILT-IN
+# STDLIB
 import os
 
 __all__ = ["__version__", "test"]

sample_scf/_typing.py

@@ -0,0 +1,21 @@
+# -*- coding: utf-8 -*-
+# Licensed under a 3-clause BSD style license - see LICENSE.rst
+
+"""Custom typing."""
+
+# STDLIB
+from typing import Union
+
+# THIRD PARTY
+from numpy import floating
+from numpy.random import Generator, RandomState
+from numpy.typing import NDArray
+
+__all__ = ["RandomGenerator", "RandomLike", "NDArrayF", "FArrayLike"]
+
+RandomGenerator = Union[RandomState, Generator]
+RandomLike = Union[None, int, RandomGenerator]
+NDArrayF = NDArray[floating]
+
+# float array-like
+FArrayLike = Union[float, NDArrayF]