From 4b4a6441eae81057850c27195275ffcaf9ca796c Mon Sep 17 00:00:00 2001 From: Caden Myers Date: Fri, 25 Oct 2024 12:22:39 -0400 Subject: [PATCH 1/6] project script --- pyproject.toml | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/pyproject.toml b/pyproject.toml index 6ef9d17..c94688f 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -14,7 +14,7 @@ maintainers = [ description = "Tool for visualizing 3D diffraction and PDF Images." keywords = ['diffraction', 'pdf', 'pair distribution function', 'gui'] readme = "README.rst" -requires-python = ">=3.10, <3.13" +requires-python = ">=3.10, <=3.13" classifiers = [ 'Development Status :: 5 - Production/Stable', 'Environment :: Console', @@ -32,6 +32,9 @@ classifiers = [ '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/" From e2b8cb00c6796f3ad0c9c5a4b8897a6b7882b52d Mon Sep 17 00:00:00 2001 From: Caden Myers Date: Fri, 25 Oct 2024 12:26:01 -0400 Subject: [PATCH 2/6] news --- news/tutorial.rst | 23 +++++++++++++++++++++++ 1 file changed, 23 insertions(+) create mode 100644 news/tutorial.rst diff --git a/news/tutorial.rst b/news/tutorial.rst new file mode 100644 index 0000000..7595836 --- /dev/null +++ b/news/tutorial.rst @@ -0,0 +1,23 @@ +**Added:** + +* + +**Changed:** + +* + +**Deprecated:** + +* + +**Removed:** + +* + +**Fixed:** + +* added [project.scripts] to pyproject.toml + +**Security:** + +* From f11289f87a55df6af3ab423064c96cb1fe350020 Mon Sep 17 00:00:00 2001 From: Caden Myers Date: Fri, 25 Oct 2024 13:08:47 -0400 Subject: [PATCH 3/6] tutorial page --- doc/source/tutorial.rst | 26 ++++++++++++++++++++++++++ 1 file changed, 26 insertions(+) create mode 100644 doc/source/tutorial.rst diff --git a/doc/source/tutorial.rst b/doc/source/tutorial.rst new file mode 100644 index 0000000..00b7136 --- /dev/null +++ b/doc/source/tutorial.rst @@ -0,0 +1,26 @@ +.. _tutorial: + +Tutorial +######## + +Input files: + +:download:`test data ` containing h5 files + +Procedure: + +1. After installation, open a terminal and type ``fourigui`` to start the program. + +2. In ``filename``, input the file path to ``gofr_.h5`` and click load. + +3. Select which axis you want to view (0, 1, or 2) and use the slider to explore slices of reciprocal space images. + +4. Alter the colorbar range and click ``set range`` to create desired contrast. + +5. The options directly below the image will allow you to save or move the plot to your liking. + +6. Under ``Space Selection``, switch between real and reciprocal space to visualize the differences. + +7. ``qmin`` and ``qmax`` can be changed to set your cutoff values. Click ``new cuttoff`` to set the values. + +8. Set your animation frame rate and click ``animation`` to create an animation through the slider. From c41471fe13495ded0024b6902ebf61aaeb26ae49 Mon Sep 17 00:00:00 2001 From: Caden Myers <158210249+cadenmyers13@users.noreply.github.com> Date: Fri, 25 Oct 2024 13:14:26 -0400 Subject: [PATCH 4/6] further update --- doc/source/tutorial.rst | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/doc/source/tutorial.rst b/doc/source/tutorial.rst index 00b7136..251a0a8 100644 --- a/doc/source/tutorial.rst +++ b/doc/source/tutorial.rst @@ -5,7 +5,7 @@ Tutorial Input files: -:download:`test data ` containing h5 files +**download test data ``gofr_.h5`` at https://github.com/diffpy/diffpy.fourigui/tree/main/tests/testdata** Procedure: From 0e53a320ec46e212640daa0cd422e041f040ede2 Mon Sep 17 00:00:00 2001 From: Simon Billinge Date: Fri, 25 Oct 2024 11:10:43 -0700 Subject: [PATCH 5/6] <3.14 --- pyproject.toml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/pyproject.toml b/pyproject.toml index c94688f..d84d5b8 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -14,7 +14,7 @@ maintainers = [ description = "Tool for visualizing 3D diffraction and PDF Images." keywords = ['diffraction', 'pdf', 'pair distribution function', 'gui'] readme = "README.rst" -requires-python = ">=3.10, <=3.13" +requires-python = ">=3.10, <3.14" classifiers = [ 'Development Status :: 5 - Production/Stable', 'Environment :: Console', From 3e2a8c23d0f934c0efa4be31a973afb8d1b7d502 Mon Sep 17 00:00:00 2001 From: Simon Billinge Date: Fri, 25 Oct 2024 11:14:01 -0700 Subject: [PATCH 6/6] Update tutorial.rst --- news/tutorial.rst | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/news/tutorial.rst b/news/tutorial.rst index 7595836..1111a5d 100644 --- a/news/tutorial.rst +++ b/news/tutorial.rst @@ -1,6 +1,6 @@ **Added:** -* +* tutorial added to documentation **Changed:**