skpkg: migrate src folder

Author: zmx27

.pre-commit-config.yaml

@@ -50,3 +50,17 @@ repos:
       - id: codespell
         additional_dependencies:
           - tomli
+  # prettier - multi formatter for .json, .yml, and .md files
+  - repo: https://github.com/pre-commit/mirrors-prettier
+    rev: f12edd9c7be1c20cfa42420fd0e6df71e42b51ea # frozen: v4.0.0-alpha.8
+    hooks:
+      - id: prettier
+        additional_dependencies:
+          - "prettier@^3.2.4"
+  # docformatter - PEP 257 compliant docstring formatter
+  - repo: https://github.com/s-weigand/docformatter
+    rev: 5757c5190d95e5449f102ace83df92e7d3b06c6c
+    hooks:
+      - id: docformatter
+        additional_dependencies: [tomli]
+        args: [--in-place, --config, ./pyproject.toml]

src/diffpy/__init__.py

@@ -1,24 +1,14 @@
 #!/usr/bin/env python
 ##############################################################################
 #
-# (c) 2024 The Trustees of Columbia University in the City of New York.
+# (c) 2025 The Trustees of Columbia University in the City of New York.
 # All rights reserved.
 #
 # File coded by: Billinge Group members and community contributors.
 #
 # See GitHub contributions for a more detailed list of contributors.
-# https://github.com/diffpy/diffpy.pdfmorph/graphs/contributors
+# https://github.com/diffpy/diffpy.morph/graphs/contributors
 #
 # See LICENSE.rst for license information.
 #
 ##############################################################################
-"""morph - tools for manipulating and comparing PDF data.
-
-"""
-
-
-from pkgutil import extend_path
-
-__path__ = extend_path(__path__, __name__)
-
-# End of file

src/diffpy/morph/__init__.py

@@ -1,27 +1,23 @@
 #!/usr/bin/env python
 ##############################################################################
 #
-# (c) 2024 The Trustees of Columbia University in the City of New York.
+# (c) 2025 The Trustees of Columbia University in the City of New York.
 # All rights reserved.
 #
-# File coded by: Billinge Group members and community contributors.
+# File coded by: Sangjoon Lee, Simon Billinge, Billinge Group members.
 #
 # See GitHub contributions for a more detailed list of contributors.
 # https://github.com/diffpy/diffpy.morph/graphs/contributors
 #
 # See LICENSE.rst for license information.
 #
 ##############################################################################
-"""Tools for manipulating and comparing PDF profiles."""
-
-# key used when saving multiple morphs
-__save_morph_as__ = "save_morph_as"
+"""Python package for manipulating and comparing PDF profiles."""
 
 # package version
-from diffpy.morph.version import __version__
+from diffpy.morph.version import __version__  # noqa
 
 # silence the pyflakes syntax checker
 assert __version__ or True
 
-
 # End of file

src/diffpy/morph/functions.py

@@ -0,0 +1,31 @@
+import numpy as np
+
+
+def dot_product(a, b):
+    """Compute the dot product of two vectors of any size.
+
+    Ensure that the inputs, a and b, are of the same size.
+    The supported types are "array_like" objects, which can
+    be converted to a NumPy array. Examples include lists and tuples.
+
+    Parameters
+    ----------
+    a : array_like
+        The first input vector.
+    b : array_like
+        The second input vector.
+
+    Returns
+    -------
+    float
+        The dot product of the two vectors.
+
+    Examples
+    --------
+    Compute the dot product of two lists:
+    >>> a = [1, 2, 3]
+    >>> b = [4, 5, 6]
+    >>> dot_product(a, b)
+    32.0
+    """
+    return float(np.dot(a, b))

src/diffpy/morph/version.py

@@ -1,13 +1,13 @@
 #!/usr/bin/env python
 ##############################################################################
 #
-# (c) 2024 The Trustees of Columbia University in the City of New York.
+# (c) 2025 The Trustees of Columbia University in the City of New York.
 # All rights reserved.
 #
-# File coded by: Billinge Group members and community contributors.
+# File coded by: Sangjoon Lee, Simon Billinge, Billinge Group members.
 #
 # See GitHub contributions for a more detailed list of contributors.
-# https://github.com/diffpy/diffpy.pdfmorph/graphs/contributors
+# https://github.com/diffpy/diffpy.morph/graphs/contributors  # noqa: E501
 #
 # See LICENSE.rst for license information.
 #