diffpy.fourigui 0.2.1rc0__tar.gz → 0.3.0__tar.gz

{diffpy_fourigui-0.2.1rc0 → diffpy_fourigui-0.3.0}/AUTHORS.rst

@@ -1,7 +1,7 @@
 Authors
 =======
 
-Billinge Group and community contributors.
+Simon Billinge, Billinge Group members
 
 Contributors
 ------------

{diffpy_fourigui-0.2.1rc0 → diffpy_fourigui-0.3.0}/LICENSE.rst

@@ -1,7 +1,7 @@
 BSD 3-Clause License
 
-Copyright (c) 2024, The Trustees of Columbia University
-in the City of New York.
+Copyright (c) 2022-2025, The Trustees of Columbia University in the City of New York.
+Copyright (c) 2026-present, The Contributors to the diffpy.fourigui project.
 All rights reserved.
 
 Redistribution and use in source and binary forms, with or without

{diffpy_fourigui-0.2.1rc0/src/diffpy.fourigui.egg-info → diffpy_fourigui-0.3.0}/PKG-INFO

@@ -1,12 +1,12 @@
-Metadata-Version: 2.1
+Metadata-Version: 2.4
 Name: diffpy.fourigui
-Version: 0.2.1rc0
-Summary: Tool for visualizing 3D diffraction and PDF Images.
-Author-email: "Simon J.L. Billinge group" <simon.billinge@gmail.com>
-Maintainer-email: "Simon J.L. Billinge group" <simon.billinge@gmail.com>
+Version: 0.3.0
+Summary: Tool for visualizing 3D diffraction and PDF images.
+Author-email: Simon Billinge <sbillinge@ucsb.edu>
+Maintainer-email: Simon Billinge <sbillinge@ucsb.edu>
 Project-URL: Homepage, https://github.com/diffpy/diffpy.fourigui/
 Project-URL: Issues, https://github.com/diffpy/diffpy.fourigui/issues/
-Keywords: diffraction,pdf,pair distribution function,gui
+Keywords: diffraction,PDF,pair distribution function,gui
 Classifier: Development Status :: 5 - Production/Stable
 Classifier: Environment :: Console
 Classifier: Intended Audience :: Developers
@@ -16,12 +16,12 @@ 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: Programming Language :: Python :: 3.14
 Classifier: Topic :: Scientific/Engineering :: Physics
 Classifier: Topic :: Scientific/Engineering :: Chemistry
-Requires-Python: <3.14,>=3.11
+Requires-Python: <3.15,>=3.12
 Description-Content-Type: text/x-rst
 License-File: LICENSE.rst
 License-File: AUTHORS.rst
@@ -29,6 +29,7 @@ Requires-Dist: h5py
 Requires-Dist: tk
 Requires-Dist: matplotlib
 Requires-Dist: numpy
+Dynamic: license-file
 
 |Icon| |title|_
 ===============
@@ -40,15 +41,15 @@ Requires-Dist: numpy
         :target: https://diffpy.github.io/diffpy.fourigui
         :height: 100px
 
-|PyPi| |Forge| |PythonVersion| |PR|
+|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.fourigui/actions/workflows/matrix-and-codecov-on-merge-to-main.yml/badge.svg
-        :target: https://github.com/diffpy/diffpy.fourigui/actions/workflows/matrix-and-codecov-on-merge-to-main.yml
+.. |CI| image:: https://github.com/diffpy/diffpy.fourigui/actions/workflows/matrix-and-codecov.yml/badge.svg
+        :target: https://github.com/diffpy/diffpy.fourigui/actions/workflows/matrix-and-codecov.yml
 
 .. |Codecov| image:: https://codecov.io/gh/diffpy/diffpy.fourigui/branch/main/graph/badge.svg
         :target: https://codecov.io/gh/diffpy/diffpy.fourigui
@@ -57,8 +58,9 @@ Requires-Dist: numpy
         :target: https://anaconda.org/conda-forge/diffpy.fourigui
 
 .. |PR| image:: https://img.shields.io/badge/PR-Welcome-29ab47ff
+        :target: https://github.com/diffpy/diffpy.fourigui/pulls
 
-.. |PyPi| image:: https://img.shields.io/pypi/v/diffpy.fourigui
+.. |PyPI| image:: https://img.shields.io/pypi/v/diffpy.fourigui
         :target: https://pypi.org/project/diffpy.fourigui/
 
 .. |PythonVersion| image:: https://img.shields.io/pypi/pyversions/diffpy.fourigui
@@ -67,7 +69,7 @@ Requires-Dist: numpy
 .. |Tracking| image:: https://img.shields.io/badge/issue_tracking-github-blue
         :target: https://github.com/diffpy/diffpy.fourigui/issues
 
-Tool for visualizing 3D diffraction and PDF Images.
+Tool for visualizing 3D diffraction and PDF images.
 
 Diffpy.fourigui is a tool to visualize and process 3D data sets written with the Python programming language.
 Diffpy.fourigui always displays one slice perpendicular to one axis and allows scrolling through the 3D data set along
@@ -123,6 +125,19 @@ and run the following ::
 
         pip install .
 
+This package also provides command-line utilities. To check the software has been installed correctly, type ::
+
+        diffpy.fourigui --version
+
+You can also type the following command to verify the installation. ::
+
+        python -c "import diffpy.fourigui; print(diffpy.fourigui.__version__)"
+
+
+To view the basic usage and available commands, type ::
+
+        diffpy.fourigui -h
+
 Getting Started
 ---------------
 
@@ -156,9 +171,14 @@ trying to commit again.
 
 Improvements and fixes are always appreciated.
 
-Before contributing, please read our `Code of Conduct <https://github.com/diffpy/diffpy.fourigui/blob/main/CODE_OF_CONDUCT.rst>`_.
+Before contributing, please read our `Code of Conduct <https://github.com/diffpy/diffpy.fourigui/blob/main/CODE-OF-CONDUCT.rst>`_.
 
 Contact
 -------
 
-For more information on diffpy.fourigui please visit the project `web-page <https://diffpy.github.io/>`_ or email Prof. Simon Billinge at sb2896@columbia.edu.
+For more information on diffpy.fourigui please visit the project `web-page <https://diffpy.github.io/>`_ or email the maintainers ``Simon Billinge(sbillinge@ucsb.edu)``.
+
+Acknowledgements
+----------------
+
+``diffpy.fourigui`` is built and maintained with `scikit-package <https://scikit-package.github.io/scikit-package/>`_.

{diffpy_fourigui-0.2.1rc0 → diffpy_fourigui-0.3.0}/README.rst

@@ -8,15 +8,15 @@
         :target: https://diffpy.github.io/diffpy.fourigui
         :height: 100px
 
-|PyPi| |Forge| |PythonVersion| |PR|
+|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.fourigui/actions/workflows/matrix-and-codecov-on-merge-to-main.yml/badge.svg
-        :target: https://github.com/diffpy/diffpy.fourigui/actions/workflows/matrix-and-codecov-on-merge-to-main.yml
+.. |CI| image:: https://github.com/diffpy/diffpy.fourigui/actions/workflows/matrix-and-codecov.yml/badge.svg
+        :target: https://github.com/diffpy/diffpy.fourigui/actions/workflows/matrix-and-codecov.yml
 
 .. |Codecov| image:: https://codecov.io/gh/diffpy/diffpy.fourigui/branch/main/graph/badge.svg
         :target: https://codecov.io/gh/diffpy/diffpy.fourigui
@@ -25,8 +25,9 @@
         :target: https://anaconda.org/conda-forge/diffpy.fourigui
 
 .. |PR| image:: https://img.shields.io/badge/PR-Welcome-29ab47ff
+        :target: https://github.com/diffpy/diffpy.fourigui/pulls
 
-.. |PyPi| image:: https://img.shields.io/pypi/v/diffpy.fourigui
+.. |PyPI| image:: https://img.shields.io/pypi/v/diffpy.fourigui
         :target: https://pypi.org/project/diffpy.fourigui/
 
 .. |PythonVersion| image:: https://img.shields.io/pypi/pyversions/diffpy.fourigui
@@ -35,7 +36,7 @@
 .. |Tracking| image:: https://img.shields.io/badge/issue_tracking-github-blue
         :target: https://github.com/diffpy/diffpy.fourigui/issues
 
-Tool for visualizing 3D diffraction and PDF Images.
+Tool for visualizing 3D diffraction and PDF images.
 
 Diffpy.fourigui is a tool to visualize and process 3D data sets written with the Python programming language.
 Diffpy.fourigui always displays one slice perpendicular to one axis and allows scrolling through the 3D data set along
@@ -91,6 +92,19 @@ and run the following ::
 
         pip install .
 
+This package also provides command-line utilities. To check the software has been installed correctly, type ::
+
+        diffpy.fourigui --version
+
+You can also type the following command to verify the installation. ::
+
+        python -c "import diffpy.fourigui; print(diffpy.fourigui.__version__)"
+
+
+To view the basic usage and available commands, type ::
+
+        diffpy.fourigui -h
+
 Getting Started
 ---------------
 
@@ -124,9 +138,14 @@ trying to commit again.
 
 Improvements and fixes are always appreciated.
 
-Before contributing, please read our `Code of Conduct <https://github.com/diffpy/diffpy.fourigui/blob/main/CODE_OF_CONDUCT.rst>`_.
+Before contributing, please read our `Code of Conduct <https://github.com/diffpy/diffpy.fourigui/blob/main/CODE-OF-CONDUCT.rst>`_.
 
 Contact
 -------
 
-For more information on diffpy.fourigui please visit the project `web-page <https://diffpy.github.io/>`_ or email Prof. Simon Billinge at sb2896@columbia.edu.
+For more information on diffpy.fourigui please visit the project `web-page <https://diffpy.github.io/>`_ or email the maintainers ``Simon Billinge(sbillinge@ucsb.edu)``.
+
+Acknowledgements
+----------------
+
+``diffpy.fourigui`` is built and maintained with `scikit-package <https://scikit-package.github.io/scikit-package/>`_.

{diffpy_fourigui-0.2.1rc0 → diffpy_fourigui-0.3.0}/pyproject.toml

@@ -6,15 +6,15 @@ build-backend = "setuptools.build_meta"
 name = "diffpy.fourigui"
 dynamic=['version', 'dependencies']
 authors = [
-  { name="Simon J.L. Billinge group", email="simon.billinge@gmail.com" },
+  {name='Simon Billinge', email='sbillinge@ucsb.edu'},
 ]
 maintainers = [
-  { name="Simon J.L. Billinge group", email="simon.billinge@gmail.com" },
+  {name='Simon Billinge', email='sbillinge@ucsb.edu'},
 ]
-description = "Tool for visualizing 3D diffraction and PDF Images."
-keywords = ['diffraction', 'pdf', 'pair distribution function', 'gui']
+description = "Tool for visualizing 3D diffraction and PDF images."
+keywords = ['diffraction', 'PDF', 'pair distribution function', 'gui']
 readme = "README.rst"
-requires-python = ">=3.11, <3.14"
+requires-python = ">=3.12, <3.15"
 classifiers = [
         'Development Status :: 5 - Production/Stable',
         'Environment :: Console',
@@ -25,16 +25,13 @@ classifiers = [
         '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',
+        'Programming Language :: Python :: 3.14',
         'Topic :: Scientific/Engineering :: Physics',
         'Topic :: Scientific/Engineering :: Chemistry',
 ]
 
-[project.scripts]
-fourigui = "diffpy.fourigui.fourigui:main"
-
 [project.urls]
 Homepage = "https://github.com/diffpy/diffpy.fourigui/"
 Issues = "https://github.com/diffpy/diffpy.fourigui/issues/"
@@ -51,6 +48,9 @@ include = ["*"]  # package names should match these glob patterns (["*"] by defa
 exclude = []  # exclude packages matching these glob patterns (empty by default)
 namespaces = false  # to disable scanning PEP 420 namespaces (true by default)
 
+[project.scripts]
+fourigui = "diffpy.fourigui.fourigui:main"
+
 [tool.setuptools.dynamic]
 dependencies = {file = ["requirements/pip.txt"]}
 
@@ -59,8 +59,13 @@ exclude-file = ".codespell/ignore_lines.txt"
 ignore-words = ".codespell/ignore_words.txt"
 skip = "*.cif,*.dat"
 
+[tool.docformatter]
+recursive = true
+wrap-summaries = 72
+wrap-descriptions = 72
+
 [tool.black]
-line-length = 115
+line-length = 79
 include = '\.pyi?$'
 exclude = '''
 /(

{diffpy_fourigui-0.2.1rc0 → diffpy_fourigui-0.3.0}/requirements/docs.txt

@@ -1,4 +1,5 @@
 sphinx
 sphinx_rtd_theme
+sphinx-copybutton
 doctr
-m2r
+m2r2

{diffpy_fourigui-0.2.1rc0 → diffpy_fourigui-0.3.0}/src/diffpy/__init__.py

@@ -1,7 +1,8 @@
 #!/usr/bin/env python
 ##############################################################################
 #
-# (c) 2024 The Trustees of Columbia University in the City of New York.
+# (c) 2022-2025 The Trustees of Columbia University in the City of New York.
+# (c) 2026 - present, diffpy.fourigui contributors
 # All rights reserved.
 #
 # File coded by: Billinge Group members and community contributors.
@@ -12,12 +13,3 @@
 # See LICENSE.rst for license information.
 #
 ##############################################################################
-
-"""Blank namespace package for module diffpy."""
-
-
-from pkgutil import extend_path
-
-__path__ = extend_path(__path__, __name__)
-
-# End of file

{diffpy_fourigui-0.2.1rc0 → diffpy_fourigui-0.3.0}/src/diffpy/fourigui/__init__.py

@@ -1,10 +1,11 @@
 #!/usr/bin/env python
 ##############################################################################
 #
-# (c) 2024 The Trustees of Columbia University in the City of New York.
+# (c) 2022-2025 The Trustees of Columbia University in the City of New York.
+# (c) 2026 - present, diffpy.fourigui contributors
 # All rights reserved.
 #
-# File coded by: Billinge Group members and community contributors.
+# File coded by: Simon Billinge, Billinge Group members.
 #
 # See GitHub contributions for a more detailed list of contributors.
 # https://github.com/diffpy/diffpy.fourigui/graphs/contributors
@@ -12,11 +13,10 @@
 # See LICENSE.rst for license information.
 #
 ##############################################################################
-
-"""Tool for visualizing 3D diffraction and PDF Images."""
+"""Tool for visualizing 3D diffraction and PDF images."""
 
 # package version
-from diffpy.fourigui.version import __version__
+from diffpy.fourigui.version import __version__  # noqa
 
 # silence the pyflakes syntax checker
 assert __version__ or True

{diffpy_fourigui-0.2.1rc0 → diffpy_fourigui-0.3.0}/src/diffpy/fourigui/fourigui.py

@@ -5,7 +5,10 @@ import h5py
 import matplotlib
 import numpy as np
 from matplotlib import pyplot as plt
-from matplotlib.backends.backend_tkagg import FigureCanvasTkAgg, NavigationToolbar2Tk
+from matplotlib.backends.backend_tkagg import (
+    FigureCanvasTkAgg,
+    NavigationToolbar2Tk,
+)
 
 matplotlib.use("tkagg")
 
@@ -21,18 +24,28 @@ class Gui(tk.Frame):
         self.initUI()
 
     def initUI(self):
-        """Initialize the GUI for fourigui"""
+        """Initialize the GUI for fourigui."""
 
         self.loaded = False  # denotes whether a dataset is loaded
-        self.transformed = False  # denotes whether dataset is Fourier transformed
-        self.cutted = False  # denotes whether cutoff frequencies are applied to dataset
-        self.transcutted = False  # denotes whether cutoff frequencies are applied and Fourier transformed
+        self.transformed = (
+            False  # denotes whether dataset is Fourier transformed
+        )
+        self.cutoff_applied = (
+            False  # denotes whether cutoff frequencies are applied to dataset
+        )
+        self.transcutted = (
+            False  # denotes whether cutoff frequencies are applied
+        )
+        # and Fourier transformed
 
         self.master.title("FouriGUI")
         self.pack(fill=tk.BOTH, expand=True)
 
         print("\nNew Session started ...")
-        print("Enjoy exploring the beautiful reconstructions in real and in reciprocal space!")
+        print(
+            "Enjoy exploring the beautiful reconstructions in real and in "
+            "reciprocal space!"
+        )
 
         # 4 frames:
         # frame 00: all buttons
@@ -54,7 +67,9 @@ class Gui(tk.Frame):
         self.filename_entry.grid(row=0, column=1, columnspan=3)
         self.filename_entry.insert(0, "/path/data.h5")
 
-        loadbutton = Button(frame00, text="load", command=lambda: self.load_cube())
+        loadbutton = Button(
+            frame00, text="load", command=lambda: self.load_cube()
+        )
         loadbutton.grid(row=0, column=4)
 
         # row 1: change axis area
@@ -125,7 +140,9 @@ class Gui(tk.Frame):
         self.colorbarmax.grid(row=3, column=3)
         self.colorbarmin = tk.Entry(frame00, width=7)
         self.colorbarmin.grid(row=4, column=3)
-        set_range = Button(frame00, text="set range", command=lambda: self.colorrange_upd())
+        set_range = Button(
+            frame00, text="set range", command=lambda: self.colorrange_upd()
+        )
         set_range.grid(row=2, column=4)
         toglobalmax = Button(
             frame00,
@@ -151,13 +168,13 @@ class Gui(tk.Frame):
         anilabel.grid(row=7, column=3, columnspan=2, sticky=tk.W)
         self.anientry = tk.Entry(frame00, width=7)
         self.anientry.grid(row=8, column=3)
-        anibutton = Button(frame00, text="animation", command=lambda: self.animation())
+        anibutton = Button(
+            frame00, text="animation", command=lambda: self.animation()
+        )
         anibutton.grid(row=8, column=4)
 
         # row 10-12 Fourier transformation
-        separator = tk.Label(
-            frame00, text=" "
-        )  # __________________________________________________________________")
+        separator = tk.Label(frame00, text=" ")
         separator.grid(row=9, column=0, columnspan=5)
         cutofflabel = tk.Label(frame00, text="cutoff frequency")
         cutofflabel.grid(row=10, column=2, columnspan=2)
@@ -170,7 +187,9 @@ class Gui(tk.Frame):
         self.qmaxentry = tk.Entry(frame00, width=7)
         self.qmaxentry.grid(row=12, column=3)
         self.cutoff = tk.IntVar()
-        newcutoffbutton = Button(frame00, text="new cutoff", command=lambda: self.newcutoff())
+        newcutoffbutton = Button(
+            frame00, text="new cutoff", command=lambda: self.newcutoff()
+        )
         newcutoffbutton.grid(row=10, column=4)
         cutoffon = tk.Radiobutton(
             frame00,
@@ -225,13 +244,19 @@ class Gui(tk.Frame):
             label="slider",
             orient=tk.HORIZONTAL,
             length=WIDTH // 2,  # resolution=-1,
-            command=lambda x: self.multiple_funcs(self.plot_plane(), self.intensity_upd_local()),
+            command=lambda x: self.multiple_funcs(
+                self.plot_plane(), self.intensity_upd_local()
+            ),
         )
         # command=lambda p: self.plot_plane())
-        self.slider.grid(row=0, column=0, padx=10, pady=10, sticky=tk.N + tk.E + tk.S + tk.W)
+        self.slider.grid(
+            row=0, column=0, padx=10, pady=10, sticky=tk.N + tk.E + tk.S + tk.W
+        )
 
         self.frame01_plotcell = tk.Frame(self.frame01)
-        self.frame01_plotcell.grid(row=1, column=0, padx=10, pady=10, sticky=tk.N + tk.E + tk.S + tk.W)
+        self.frame01_plotcell.grid(
+            row=1, column=0, padx=10, pady=10, sticky=tk.N + tk.E + tk.S + tk.W
+        )
 
         self.frame01_toolbar = tk.Frame(self.frame01)
         self.frame01_toolbar.grid(row=2, column=0)
@@ -239,11 +264,15 @@ class Gui(tk.Frame):
         # 10 #
         # frame 10, lower left
         frame10 = tk.Frame(self)
-        frame10.place(x=5, y=HEIGHT - 30)  # , height=HEIGHT//2, width=WIDTH//2)
+        frame10.place(
+            x=5, y=HEIGHT - 30
+        )  # , height=HEIGHT//2, width=WIDTH//2)
         quit = Button(
             frame10,
             text="exit",
-            command=lambda: self.multiple_funcs(print("Session ended...\n", self.quit())),
+            command=lambda: self.multiple_funcs(
+                print("Session ended...\n", self.quit())
+            ),
         )
         quit.pack(side=tk.TOP)
 
@@ -251,14 +280,15 @@ class Gui(tk.Frame):
         # frame 00, lower right
         # no functionality
         frame11 = tk.Frame(self)
-        frame11.place(x=WIDTH // 2, y=HEIGHT // 2)  # , height=HEIGHT//2, width=WIDTH//2)
+        frame11.place(
+            x=WIDTH // 2, y=HEIGHT // 2
+        )  # , height=HEIGHT//2, width=WIDTH//2)
 
     def load_cube(self):
-        """
-        loads 3D array in h5py file format from the filename input panel
-        3D array is expected to be a reconstructed reciprocal scattering volume
-        when executed, one slide perpendicular to the selected axis will be plotted in the plot panel
-        """
+        """Loads 3D array in h5py file format from the filename input
+        panel 3D array is expected to be a reconstructed reciprocal
+        scattering volume when executed, one slide perpendicular to the
+        selected axis will be plotted in the plot panel."""
 
         filename = self.filename_entry.get()
         f = h5py.File(filename, "r")
@@ -286,9 +316,13 @@ class Gui(tk.Frame):
             label="slider",
             orient=tk.HORIZONTAL,
             length=WIDTH // 2,  # resolution=-1,
-            command=lambda x: self.multiple_funcs(self.plot_plane(), self.intensity_upd_local()),
+            command=lambda x: self.multiple_funcs(
+                self.plot_plane(), self.intensity_upd_local()
+            ),
+        )
+        self.slider.grid(
+            row=0, column=0, padx=10, pady=10, sticky=tk.N + tk.E + tk.S + tk.W
         )
-        self.slider.grid(row=0, column=0, padx=10, pady=10, sticky=tk.N + tk.E + tk.S + tk.W)
 
         if not self.loaded:
             fig, ax = plt.subplots(figsize=(4.95, 4.95))
@@ -308,26 +342,30 @@ class Gui(tk.Frame):
             ax.set_xlabel("pixel")
             ax.set_ylabel("pixel")
             self.canvas = FigureCanvasTkAgg(fig, master=self.frame01_plotcell)
-            self.toolbar = NavigationToolbar2Tk(self.canvas, self.frame01_toolbar)
+            self.toolbar = NavigationToolbar2Tk(
+                self.canvas, self.frame01_toolbar
+            )
             self.toolbar.pack(side=tk.LEFT)
             # self.toolbar.children['!button6'].pack_forget()
             # self.toolbar.children['!button7'].pack_forget()
             self.toolbar.update()
             self.canvas.draw()
-            self.canvas.get_tk_widget().pack(side=tk.LEFT, fill=tk.BOTH, expand=1)
+            self.canvas.get_tk_widget().pack(
+                side=tk.LEFT, fill=tk.BOTH, expand=1
+            )
             self.loaded = True
         else:
             self.plot_plane()
             self.transformed = False
             self.transcutted = False
-            self.cutted = False
+            self.cutoff_applied = False
             self.cutoff.set(0)
             self.space.set(0)
 
         self.intensity_upd_global()
 
     def plot_plane(self):
-        """update plotted plane perpendicular to the selected axis"""
+        """Update plotted plane perpendicular to the selected axis."""
         if self.axis.get() == 0:
             self.im.set_data(self.cube[self.plane_num.get(), :, :])
         elif self.axis.get() == 1:
@@ -339,7 +377,7 @@ class Gui(tk.Frame):
         self.canvas.draw()
 
     def colorrange_upd(self):
-        """change color range in plot"""
+        """Change color range in plot."""
         try:
             if self.colorbarmin.get() and self.colorbarmax.get():
                 vmin = float(self.colorbarmin.get())
@@ -359,7 +397,8 @@ class Gui(tk.Frame):
         self.plot_plane()
 
     def intensity_upd_local(self):
-        """show local intensity minimum, maximum and sum of current plotted plane"""
+        """Show local intensity minimum, maximum and sum of current
+        plotted plane."""
         if self.axis.get() == 0:
             plane = self.cube[self.plane_num.get(), :, :]
         elif self.axis.get() == 1:
@@ -367,25 +406,37 @@ class Gui(tk.Frame):
         elif self.axis.get() == 2:
             plane = self.cube[:, :, self.plane_num.get()]
         nan_ratio = np.count_nonzero(np.isnan(plane)) / plane.size
-        self.localmax["text"] = f"{np.format_float_scientific(np.nanmax(plane), 1)}"
-        self.localmin["text"] = f"{np.format_float_scientific(np.nanmin(plane), 1)}"
-        self.localsum["text"] = f"{np.format_float_scientific(np.nansum(plane), 1)}"
+        self.localmax["text"] = (
+            f"{np.format_float_scientific(np.nanmax(plane), 1)}"
+        )
+        self.localmin["text"] = (
+            f"{np.format_float_scientific(np.nanmin(plane), 1)}"
+        )
+        self.localsum["text"] = (
+            f"{np.format_float_scientific(np.nansum(plane), 1)}"
+        )
         self.localnanratio["text"] = f"{round(nan_ratio, 2)}"
 
     def intensity_upd_global(self):
-        """Load global intensity minimum, maximum and sum of 3D array"""
+        """Load global intensity minimum, maximum and sum of 3D
+        array."""
         self.intensity_upd_local()
         nan_ratio = np.count_nonzero(np.isnan(self.cube)) / self.cube.size
-        self.globalmax["text"] = f"{np.format_float_scientific(np.nanmax(self.cube), 1)}"
-        self.globalmin["text"] = f"{np.format_float_scientific(np.nanmin(self.cube), 1)}"
-        self.globalsum["text"] = f"{np.format_float_scientific(np.nansum(self.cube), 1)}"
+        self.globalmax["text"] = (
+            f"{np.format_float_scientific(np.nanmax(self.cube), 1)}"
+        )
+        self.globalmin["text"] = (
+            f"{np.format_float_scientific(np.nanmin(self.cube), 1)}"
+        )
+        self.globalsum["text"] = (
+            f"{np.format_float_scientific(np.nansum(self.cube), 1)}"
+        )
         self.globalnanratio["text"] = "{}".format(round(nan_ratio, 2))
 
     def fft(self):
-        """
-        Fourier transform 3D array from reciprocal to real space
-        the origin of reciprocal and real space is expected to be the central voxel
-        """
+        """Fourier transform 3D array from reciprocal to real space the
+        origin of reciprocal and real space is expected to be the
+        central voxel."""
 
         def perform_fft(fftholder):
             fftholder = np.nan_to_num(fftholder)
@@ -438,10 +489,9 @@ class Gui(tk.Frame):
         self.intensity_upd_global()
 
     def ifft(self):
-        """
-        Inverse Fourier transform 3D array from real to reciprocal space
-        the origin of real and reciprocal space is expected to be the central voxel
-        """
+        """Inverse Fourier transform 3D array from real to reciprocal
+        space the origin of real and reciprocal space is expected to be
+        the central voxel."""
         if not self.cutoff.get():
             self.cube_real = self.cube
             self.cube = self.cube_reci
@@ -455,11 +505,10 @@ class Gui(tk.Frame):
         self.intensity_upd_global()
 
     def applycutoff(self):
-        """
-        shape the reciprocal-space array
+        """Shape the reciprocal-space array.
 
-        reassign all voxels with distance smaller than qmin and greater than qmax
-        to np.nan.
+        reassign all voxels with distance smaller than qmin and greater than
+        qmax to np.nan.
 
         parameters:
         -----------
@@ -470,7 +519,7 @@ class Gui(tk.Frame):
         --------
         nothing
         """
-        if not self.cutted:
+        if not self.cutoff_applied:
             xdim, ydim, zdim = self.cube.shape
             sphere = np.ones((xdim, ydim, zdim))
             qmin = float(self.qminentry.get())
@@ -479,9 +528,17 @@ class Gui(tk.Frame):
             # convert qmax to pixels
             r2_inner = qmin**2
             r2_outer = qmax**2
-            i, j, k = np.meshgrid(np.arange(xdim), np.arange(ydim), np.arange(zdim))
-            r2 = (i - xdim // 2) ** 2 + (j - ydim // 2) ** 2 + (k - zdim // 2) ** 2
-            mask = (r2 < r2_inner) | (r2 > r2_outer)  # True if voxel is out of range
+            i, j, k = np.meshgrid(
+                np.arange(xdim), np.arange(ydim), np.arange(zdim)
+            )
+            r2 = (
+                (i - xdim // 2) ** 2
+                + (j - ydim // 2) ** 2
+                + (k - zdim // 2) ** 2
+            )
+            mask = (r2 < r2_inner) | (
+                r2 > r2_outer
+            )  # True if voxel is out of range
             sphere[mask] = np.nan  # therefore set to np.nan if out of range
 
             if self.space.get():
@@ -496,7 +553,7 @@ class Gui(tk.Frame):
                 self.plot_plane()
                 self.intensity_upd_global()
 
-            self.cutted = True
+            self.cutoff_applied = True
 
         else:
             if self.space.get():  # in real space
@@ -507,9 +564,8 @@ class Gui(tk.Frame):
             self.intensity_upd_global()
 
     def redocutuff(self):
-        """
-        Redo the cutoff operation depending on the current space (real or reciprocal).
-        """
+        """Redo the cutoff operation depending on the current space
+        (real or reciprocal)."""
         if self.space.get():  # in real space
             self.cube_realcut = self.cube
             if not self.transformed:
@@ -522,22 +578,20 @@ class Gui(tk.Frame):
         self.intensity_upd_global()
 
     def newcutoff(self):
-        """
-        Apply a new cutoff based on the current space and cutoff settings.
-        """
+        """Apply a new cutoff based on the current space and cutoff
+        settings."""
         if self.cutoff.get():
             if self.space.get() and self.transformed:
                 self.cube = self.cube_real
             else:
                 self.cube = self.cube_reci
-        self.cutted = False
+        self.cutoff_applied = False
         self.transcutted = False
         self.applycutoff()
 
     def plot_next_plane(self):
-        """
-        Plot the next plane in the dataset, looping back to the first if at the end.
-        """
+        """Plot the next plane in the dataset, looping back to the first
+        if at the end."""
         n = self.plane_num.get()
         if n == len(self.cube[self.axis.get()]) - 1:
             n = 0
@@ -547,25 +601,25 @@ class Gui(tk.Frame):
         self.plot_plane()
 
     def animation(self):
-        """
-        slices through the 3D array along the selected axis
-        """
+        """Slices through the 3D array along the selected axis."""
         try:
             if not self.anientry.get():
                 anispeed = 1
             else:
                 anispeed = self.anientry.get()
         except ValueError:
-            print("Oops... animation speed must be an integer > 0 or empty string.")
+            print(
+                "Oops... animation speed must be an integer > 0 "
+                "or empty string."
+            )
         n = self.plane_num.get() - 1
         while n is not self.plane_num.get():
             self.slider.after(anispeed, self.plot_next_plane())
         self.plot_next_plane()
 
     def multiple_funcs(*funcs):
-        """
-        Executes multiple functions passed as arguments in sequence.
-        """
+        """Executes multiple functions passed as arguments in
+        sequence."""
         for func in funcs:
             func
 

diffpy_fourigui-0.3.0/src/diffpy/fourigui/fourigui_app.py

@@ -0,0 +1,33 @@
+import argparse
+
+from diffpy.fourigui.version import __version__  # noqa
+
+
+def main():
+    parser = argparse.ArgumentParser(
+        prog="diffpy.fourigui",
+        description=(
+            "Tool for visualizing 3D diffraction and PDF images.\n\n"
+            "For more information, visit: "
+            "https://github.com/diffpy/diffpy.fourigui/"
+        ),
+        formatter_class=argparse.RawDescriptionHelpFormatter,
+    )
+
+    parser.add_argument(
+        "--version",
+        action="store_true",
+        help="Show the program's version number and exit",
+    )
+
+    args = parser.parse_args()
+
+    if args.version:
+        print(f"diffpy.fourigui {__version__}")
+    else:
+        # Default behavior when no arguments are given
+        parser.print_help()
+
+
+if __name__ == "__main__":
+    main()

{diffpy_fourigui-0.2.1rc0 → diffpy_fourigui-0.3.0}/src/diffpy/fourigui/version.py

@@ -1,26 +1,27 @@
 #!/usr/bin/env python
 ##############################################################################
 #
-# (c) 2024 The Trustees of Columbia University in the City of New York.
+# (c) 2022-2025 The Trustees of Columbia University in the City of New York.
+# (c) 2026 - present, diffpy.fourigui contributors
 # All rights reserved.
 #
-# File coded by: Billinge Group members and community contributors.
+# File coded by: Simon Billinge, Billinge Group members.
 #
 # See GitHub contributions for a more detailed list of contributors.
-# https://github.com/diffpy/diffpy.fourigui/graphs/contributors
+# https://github.com/diffpy/diffpy.fourigui/graphs/contributors  # noqa: E501
 #
 # See LICENSE.rst for license information.
 #
 ##############################################################################
-
 """Definition of __version__."""
 
 #  We do not use the other three variables, but can be added back if needed.
 #  __all__ = ["__date__", "__git_commit__", "__timestamp__", "__version__"]
 
 # obtain version information
-from importlib.metadata import version
-
-__version__ = version("diffpy.fourigui")
+from importlib.metadata import PackageNotFoundError, version
 
-# End of file
+try:
+    __version__ = version("diffpy.fourigui")
+except PackageNotFoundError:
+    __version__ = "unknown"

{diffpy_fourigui-0.2.1rc0 → diffpy_fourigui-0.3.0/src/diffpy.fourigui.egg-info}/PKG-INFO

@@ -1,12 +1,12 @@
-Metadata-Version: 2.1
+Metadata-Version: 2.4
 Name: diffpy.fourigui
-Version: 0.2.1rc0
-Summary: Tool for visualizing 3D diffraction and PDF Images.
-Author-email: "Simon J.L. Billinge group" <simon.billinge@gmail.com>
-Maintainer-email: "Simon J.L. Billinge group" <simon.billinge@gmail.com>
+Version: 0.3.0
+Summary: Tool for visualizing 3D diffraction and PDF images.
+Author-email: Simon Billinge <sbillinge@ucsb.edu>
+Maintainer-email: Simon Billinge <sbillinge@ucsb.edu>
 Project-URL: Homepage, https://github.com/diffpy/diffpy.fourigui/
 Project-URL: Issues, https://github.com/diffpy/diffpy.fourigui/issues/
-Keywords: diffraction,pdf,pair distribution function,gui
+Keywords: diffraction,PDF,pair distribution function,gui
 Classifier: Development Status :: 5 - Production/Stable
 Classifier: Environment :: Console
 Classifier: Intended Audience :: Developers
@@ -16,12 +16,12 @@ 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: Programming Language :: Python :: 3.14
 Classifier: Topic :: Scientific/Engineering :: Physics
 Classifier: Topic :: Scientific/Engineering :: Chemistry
-Requires-Python: <3.14,>=3.11
+Requires-Python: <3.15,>=3.12
 Description-Content-Type: text/x-rst
 License-File: LICENSE.rst
 License-File: AUTHORS.rst
@@ -29,6 +29,7 @@ Requires-Dist: h5py
 Requires-Dist: tk
 Requires-Dist: matplotlib
 Requires-Dist: numpy
+Dynamic: license-file
 
 |Icon| |title|_
 ===============
@@ -40,15 +41,15 @@ Requires-Dist: numpy
         :target: https://diffpy.github.io/diffpy.fourigui
         :height: 100px
 
-|PyPi| |Forge| |PythonVersion| |PR|
+|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.fourigui/actions/workflows/matrix-and-codecov-on-merge-to-main.yml/badge.svg
-        :target: https://github.com/diffpy/diffpy.fourigui/actions/workflows/matrix-and-codecov-on-merge-to-main.yml
+.. |CI| image:: https://github.com/diffpy/diffpy.fourigui/actions/workflows/matrix-and-codecov.yml/badge.svg
+        :target: https://github.com/diffpy/diffpy.fourigui/actions/workflows/matrix-and-codecov.yml
 
 .. |Codecov| image:: https://codecov.io/gh/diffpy/diffpy.fourigui/branch/main/graph/badge.svg
         :target: https://codecov.io/gh/diffpy/diffpy.fourigui
@@ -57,8 +58,9 @@ Requires-Dist: numpy
         :target: https://anaconda.org/conda-forge/diffpy.fourigui
 
 .. |PR| image:: https://img.shields.io/badge/PR-Welcome-29ab47ff
+        :target: https://github.com/diffpy/diffpy.fourigui/pulls
 
-.. |PyPi| image:: https://img.shields.io/pypi/v/diffpy.fourigui
+.. |PyPI| image:: https://img.shields.io/pypi/v/diffpy.fourigui
         :target: https://pypi.org/project/diffpy.fourigui/
 
 .. |PythonVersion| image:: https://img.shields.io/pypi/pyversions/diffpy.fourigui
@@ -67,7 +69,7 @@ Requires-Dist: numpy
 .. |Tracking| image:: https://img.shields.io/badge/issue_tracking-github-blue
         :target: https://github.com/diffpy/diffpy.fourigui/issues
 
-Tool for visualizing 3D diffraction and PDF Images.
+Tool for visualizing 3D diffraction and PDF images.
 
 Diffpy.fourigui is a tool to visualize and process 3D data sets written with the Python programming language.
 Diffpy.fourigui always displays one slice perpendicular to one axis and allows scrolling through the 3D data set along
@@ -123,6 +125,19 @@ and run the following ::
 
         pip install .
 
+This package also provides command-line utilities. To check the software has been installed correctly, type ::
+
+        diffpy.fourigui --version
+
+You can also type the following command to verify the installation. ::
+
+        python -c "import diffpy.fourigui; print(diffpy.fourigui.__version__)"
+
+
+To view the basic usage and available commands, type ::
+
+        diffpy.fourigui -h
+
 Getting Started
 ---------------
 
@@ -156,9 +171,14 @@ trying to commit again.
 
 Improvements and fixes are always appreciated.
 
-Before contributing, please read our `Code of Conduct <https://github.com/diffpy/diffpy.fourigui/blob/main/CODE_OF_CONDUCT.rst>`_.
+Before contributing, please read our `Code of Conduct <https://github.com/diffpy/diffpy.fourigui/blob/main/CODE-OF-CONDUCT.rst>`_.
 
 Contact
 -------
 
-For more information on diffpy.fourigui please visit the project `web-page <https://diffpy.github.io/>`_ or email Prof. Simon Billinge at sb2896@columbia.edu.
+For more information on diffpy.fourigui please visit the project `web-page <https://diffpy.github.io/>`_ or email the maintainers ``Simon Billinge(sbillinge@ucsb.edu)``.
+
+Acknowledgements
+----------------
+
+``diffpy.fourigui`` is built and maintained with `scikit-package <https://scikit-package.github.io/scikit-package/>`_.

{diffpy_fourigui-0.2.1rc0 → diffpy_fourigui-0.3.0}/src/diffpy.fourigui.egg-info/SOURCES.txt

@@ -3,11 +3,10 @@ LICENSE.rst
 MANIFEST.in
 README.rst
 pyproject.toml
-requirements/build.txt
 requirements/conda.txt
 requirements/docs.txt
 requirements/pip.txt
-requirements/test.txt
+requirements/tests.txt
 src/diffpy/__init__.py
 src/diffpy.fourigui.egg-info/PKG-INFO
 src/diffpy.fourigui.egg-info/SOURCES.txt
@@ -17,6 +16,7 @@ src/diffpy.fourigui.egg-info/requires.txt
 src/diffpy.fourigui.egg-info/top_level.txt
 src/diffpy/fourigui/__init__.py
 src/diffpy/fourigui/fourigui.py
+src/diffpy/fourigui/fourigui_app.py
 src/diffpy/fourigui/version.py
 tests/conftest.py
 tests/integration_test.py
@@ -24,12 +24,12 @@ tests/test_fourigui.py
 tests/test_version.py
 tests/testdata/__init__.py
 tests/testdata/dummydata.h5
+tests/testdata/gofr-.h5
+tests/testdata/gofr-cut.h5
+tests/testdata/gofr-from-sofq-cut-10to40px.h5
+tests/testdata/gofr-from-sofq-cut-15to35px.h5
 tests/testdata/gofr.h5
-tests/testdata/gofr_.h5
-tests/testdata/gofr_cut.h5
-tests/testdata/gofr_from_sofq_cut_10to40px.h5
-tests/testdata/gofr_from_sofq_cut_15to35px.h5
 tests/testdata/make_testdata.py
-tests/testdata/sofq.h5
-tests/testdata/sofq_cut_10to40px.h5
-tests/testdata/sofq_cut_15to35px.h5
+tests/testdata/sofq-cut-10to40px.h5
+tests/testdata/sofq-cut-15to35px.h5
+tests/testdata/sofq.h5

{diffpy_fourigui-0.2.1rc0 → diffpy_fourigui-0.3.0}/tests/integration_test.py

@@ -13,11 +13,19 @@ class TestGui(unittest.TestCase):
 
         # set up test data
         self.test_sofq = h5py.File("tests/testdata/sofq.h5")["data"]
-        self.test_sofq_cut_10to40px = h5py.File("tests/testdata/sofq_cut_10to40px.h5")["data"]
-        self.test_sofq_cut_15to35px = h5py.File("tests/testdata/sofq_cut_15to35px.h5")["data"]
+        self.test_sofq_cut_10to40px = h5py.File(
+            "tests/testdata/sofq-cut-10to40px.h5"
+        )["data"]
+        self.test_sofq_cut_15to35px = h5py.File(
+            "tests/testdata/sofq-cut-15to35px.h5"
+        )["data"]
         self.test_gofr = h5py.File("tests/testdata/gofr.h5")["data"]
-        self.test_gofr_cut_10to40px = h5py.File("tests/testdata/gofr_from_sofq_cut_10to40px.h5")["data"]
-        self.test_gofr_cut_15to35px = h5py.File("tests/testdata/gofr_from_sofq_cut_15to35px.h5")["data"]
+        self.test_gofr_cut_10to40px = h5py.File(
+            "tests/testdata/gofr-from-sofq-cut-10to40px.h5"
+        )["data"]
+        self.test_gofr_cut_15to35px = h5py.File(
+            "tests/testdata/gofr-from-sofq-cut-15to35px.h5"
+        )["data"]
 
     def test_load_cube_testdataset1(self):
         # given
@@ -34,26 +42,40 @@ class TestGui(unittest.TestCase):
     def test_load_cube_testdataset2(self):
         # given
         self.test_gui.filename_entry.delete(0, "end")
-        self.test_gui.filename_entry.insert(0, "tests/testdata/sofq_cut_10to40px.h5")
+        self.test_gui.filename_entry.insert(
+            0, "tests/testdata/sofq-cut-10to40px.h5"
+        )
 
         # when
         self.test_gui.load_cube()
         result = self.test_gui.cube
 
         # then
-        self.assertTrue(np.allclose(np.nan_to_num(result), np.nan_to_num(self.test_sofq_cut_10to40px)))
+        self.assertTrue(
+            np.allclose(
+                np.nan_to_num(result),
+                np.nan_to_num(self.test_sofq_cut_10to40px),
+            )
+        )
 
     def test_load_cube_testdataset3(self):
         # given
         self.test_gui.filename_entry.delete(0, "end")
-        self.test_gui.filename_entry.insert(0, "tests/testdata/sofq_cut_15to35px.h5")
+        self.test_gui.filename_entry.insert(
+            0, "tests/testdata/sofq-cut-15to35px.h5"
+        )
 
         # when
         self.test_gui.load_cube()
         result = self.test_gui.cube
 
         # then
-        self.assertTrue(np.allclose(np.nan_to_num(result), np.nan_to_num(self.test_sofq_cut_15to35px)))
+        self.assertTrue(
+            np.allclose(
+                np.nan_to_num(result),
+                np.nan_to_num(self.test_sofq_cut_15to35px),
+            )
+        )
 
     def test_fft_testdataset1(self):
         # given

{diffpy_fourigui-0.2.1rc0 → diffpy_fourigui-0.3.0}/tests/test_fourigui.py

@@ -18,7 +18,7 @@ class TestGui(unittest.TestCase):
     def test_init(self):
         self.assertFalse(self.test_gui.loaded)
         self.assertFalse(self.test_gui.transformed)
-        self.assertFalse(self.test_gui.cutted)
+        self.assertFalse(self.test_gui.cutoff_applied)
         self.assertFalse(self.test_gui.transcutted)
         self.assertFalse(self.test_gui.cutoff.get())
         self.assertFalse(self.test_gui.space.get())
@@ -60,7 +60,9 @@ class TestGui(unittest.TestCase):
         self.test_gui.fft()
 
         # then
-        self.assertTrue(self.test_gui.transformed and not self.test_gui.transcutted)
+        self.assertTrue(
+            self.test_gui.transformed and not self.test_gui.transcutted
+        )
 
     def test_fft_010(self):
         # given
@@ -76,8 +78,10 @@ class TestGui(unittest.TestCase):
         self.test_gui.fft()
 
         # then
-        self.assertTrue(not self.test_gui.transformed and self.test_gui.transcutted)
-        # self.assertTrue(self.test_gui.cutted)
+        self.assertTrue(
+            not self.test_gui.transformed and self.test_gui.transcutted
+        )
+        # self.assertTrue(self.test_gui.cutoff_applied)
 
     def test_fft_001(self):
         # given
@@ -94,7 +98,9 @@ class TestGui(unittest.TestCase):
         self.test_gui.fft()
 
         # then
-        self.assertTrue(self.test_gui.transformed and self.test_gui.transcutted)
+        self.assertTrue(
+            self.test_gui.transformed and self.test_gui.transcutted
+        )
 
     def test_fft_011(self):
         # given
@@ -111,7 +117,9 @@ class TestGui(unittest.TestCase):
         self.test_gui.fft()
 
         # then
-        self.assertTrue(not self.test_gui.transformed and self.test_gui.transcutted)
+        self.assertTrue(
+            not self.test_gui.transformed and self.test_gui.transcutted
+        )
 
     def test_fft_101(self):
         # given
@@ -128,7 +136,9 @@ class TestGui(unittest.TestCase):
         self.test_gui.fft()
 
         # then
-        self.assertTrue(self.test_gui.transformed and self.test_gui.transcutted)
+        self.assertTrue(
+            self.test_gui.transformed and self.test_gui.transcutted
+        )
 
     def test_fft_111(self):
         # given
@@ -145,7 +155,9 @@ class TestGui(unittest.TestCase):
         self.test_gui.fft()
 
         # then
-        self.assertTrue(self.test_gui.transformed and self.test_gui.transcutted)
+        self.assertTrue(
+            self.test_gui.transformed and self.test_gui.transcutted
+        )
 
 
 def test_applycutoff(mocker):
@@ -155,8 +167,10 @@ def test_applycutoff(mocker):
     # pixels as NaN's
     mocker.patch.object(fg.qminentry, "get", return_value=1.0)
     mocker.patch.object(fg.qmaxentry, "get", return_value=2.0)
-    mocker.patch.object(fg, "plot_plane")  # we don't want it to plot anything so intercept
-    fg.cutted = False
+    mocker.patch.object(
+        fg, "plot_plane"
+    )  # we don't want it to plot anything so intercept
+    fg.cutoff_applied = False
     fg.cube = np.ones((5, 5, 5))
     expected_ones = np.ones((5, 5, 5))
     expected_recip = np.array(
@@ -213,8 +227,9 @@ def test_applycutoff(mocker):
     mocker.patch.object(fg.qmaxentry, "get", return_value=2)
     mocker.patch.object(
         fg, "fft"
-    )  # we don't want it to do the fft so intercept.  Should be tested separately (fixme).
-    fg.cutted = False
+    )  # we don't want it to do the fft so intercept.
+    # Should be tested separately (fixme).
+    fg.cutoff_applied = False
     fg.cube_reci = np.ones((5, 5, 5))
     fg.cube = np.ones((5, 5, 5))
     mocker.patch.object(fg.space, "get", return_value=1)

{diffpy_fourigui-0.2.1rc0 → diffpy_fourigui-0.3.0}/tests/test_version.py

@@ -1,10 +1,10 @@
-"""Unit tests for __version__.py
-"""
+"""Unit tests for __version__.py."""
 
-import diffpy.fourigui
+import diffpy.fourigui  # noqa
 
 
 def test_package_version():
-    """Ensure the package version is defined and not set to the initial placeholder."""
+    """Ensure the package version is defined and not set to the initial
+    placeholder."""
     assert hasattr(diffpy.fourigui, "__version__")
     assert diffpy.fourigui.__version__ != "0.0.0"

{diffpy_fourigui-0.2.1rc0 → diffpy_fourigui-0.3.0}/tests/testdata/make_testdata.py

@@ -44,9 +44,9 @@ def dummydata(fname="dummydata.h5"):
     f.close()
 
 
-# cutcube("sofq.h5", "sofq_cut_10to40px.h5", 10, 40)
-# cutcube("sofq.h5", "sofq_cut_15to35px.h5", 15, 35)
+# cutcube("sofq.h5", "sofq-cut-10to40px.h5", 10, 40)
+# cutcube("sofq.h5", "sofq-cut-15to35px.h5", 15, 35)
 # fftcube("sofq.h5", "gofr.h5")
-# fftcube("sofq_cut_10to40px.h5", "gofr_from_sofq_cut_10to40px.h5")
-# fftcube("sofq_cut_15to35px.h5", "gofr_from_sofq_cut_15to35px.h5")
+# fftcube("sofq-cut-10to40px.h5", "gofr-from-sofq-cut-10to40px.h5")
+# fftcube("sofq-cut-15to35px.h5", "gofr-from-sofq-cut-15to35px.h5")
 dummydata()