From c471a89235de1edc19b0f7bee47b78bf0b1e1b3c Mon Sep 17 00:00:00 2001 From: Caden Myers Date: Mon, 7 Oct 2024 12:35:38 -0400 Subject: [PATCH 1/7] add longer description and citation --- README.rst | 13 +++++++++++-- 1 file changed, 11 insertions(+), 2 deletions(-) diff --git a/README.rst b/README.rst index 59edf60..4e605e8 100644 --- a/README.rst +++ b/README.rst @@ -37,7 +37,13 @@ Tool for visualizing 3D diffraction and PDF Images. -* LONGER DESCRIPTION HERE +* 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 +the given axis with a slider. It shows feedback values such as global and local maxima, minima or NAN ratios. +The matplotlib panel e.g. for zooming and saving figures is featured. Diffpy.fourigui is designed for the processing of 3D +atomic pair distribution functions (PDFs). One can load a 3D reciprocal space scattering volume which can be Fourier +transformed to the 3D PDF. Thereby, one can apply cut off frequencies beyond and below given Q values, compare the +results and switch between the scattering volume in reciprocal space and 3D PDF in real space. For more information about the diffpy.fourigui library, please consult our `online documentation `_. @@ -46,7 +52,10 @@ Citation If you use diffpy.fourigui in a scientific publication, we would like you to cite this package as - diffpy.fourigui Package, https://github.com/diffpy/diffpy.fourigui + S. Y. Harouna-Mayer, S. Tao, Z. Gong, M. v Zimmermann, D. Koziej, A.-C. Dippel, and S. J. L. Billinge + `Real-Space Texture and Pole-Figure Analysis Using the 3D Pair Distribution + Function on a Platinum Thin Film `. IUCrJ 2022, 9 (5), 594–603. + Installation ------------ From 2b23c6b17562d360c682d97b6a6b36a17c9e6133 Mon Sep 17 00:00:00 2001 From: Caden Myers Date: Mon, 7 Oct 2024 12:40:08 -0400 Subject: [PATCH 2/7] formatting --- README.rst | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/README.rst b/README.rst index 4e605e8..f54f654 100644 --- a/README.rst +++ b/README.rst @@ -54,7 +54,7 @@ If you use diffpy.fourigui in a scientific publication, we would like you to cit S. Y. Harouna-Mayer, S. Tao, Z. Gong, M. v Zimmermann, D. Koziej, A.-C. Dippel, and S. J. L. Billinge `Real-Space Texture and Pole-Figure Analysis Using the 3D Pair Distribution - Function on a Platinum Thin Film `. IUCrJ 2022, 9 (5), 594–603. + Function on a Platinum Thin Film `. *IUCrJ*, **9 (5)**, 594–603 (2022). Installation From d8b1391f06d34a25a2e6bcc0dfa7b05b5fb4efb6 Mon Sep 17 00:00:00 2001 From: Caden Myers <158210249+cadenmyers13@users.noreply.github.com> Date: Mon, 7 Oct 2024 12:41:07 -0400 Subject: [PATCH 3/7] formatting --- README.rst | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/README.rst b/README.rst index f54f654..64bdba2 100644 --- a/README.rst +++ b/README.rst @@ -54,7 +54,7 @@ If you use diffpy.fourigui in a scientific publication, we would like you to cit S. Y. Harouna-Mayer, S. Tao, Z. Gong, M. v Zimmermann, D. Koziej, A.-C. Dippel, and S. J. L. Billinge `Real-Space Texture and Pole-Figure Analysis Using the 3D Pair Distribution - Function on a Platinum Thin Film `. *IUCrJ*, **9 (5)**, 594–603 (2022). + Function on a Platinum Thin Film `. *IUCrJ* **9 (5)**, 594–603 (2022). Installation From 4e6aa06ffe48002b26fd73818ff9d71feea9f1ee Mon Sep 17 00:00:00 2001 From: Caden Myers <158210249+cadenmyers13@users.noreply.github.com> Date: Mon, 7 Oct 2024 12:42:50 -0400 Subject: [PATCH 4/7] Update README.rst --- README.rst | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/README.rst b/README.rst index 64bdba2..c50cdf7 100644 --- a/README.rst +++ b/README.rst @@ -52,7 +52,7 @@ Citation If you use diffpy.fourigui in a scientific publication, we would like you to cite this package as - S. Y. Harouna-Mayer, S. Tao, Z. Gong, M. v Zimmermann, D. Koziej, A.-C. Dippel, and S. J. L. Billinge + S. Y. Harouna-Mayer, S. Tao, Z. Gong, M. V. Zimmermann, D. Koziej, A.-C. Dippel, and S. J. L. Billinge `Real-Space Texture and Pole-Figure Analysis Using the 3D Pair Distribution Function on a Platinum Thin Film `. *IUCrJ* **9 (5)**, 594–603 (2022). From a8cdb3ba9b0effeaec2a341036d966c9c77d7620 Mon Sep 17 00:00:00 2001 From: Caden Myers <158210249+cadenmyers13@users.noreply.github.com> Date: Mon, 7 Oct 2024 12:45:00 -0400 Subject: [PATCH 5/7] Update README.rst --- README.rst | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/README.rst b/README.rst index c50cdf7..0a54c2c 100644 --- a/README.rst +++ b/README.rst @@ -54,7 +54,7 @@ If you use diffpy.fourigui in a scientific publication, we would like you to cit S. Y. Harouna-Mayer, S. Tao, Z. Gong, M. V. Zimmermann, D. Koziej, A.-C. Dippel, and S. J. L. Billinge `Real-Space Texture and Pole-Figure Analysis Using the 3D Pair Distribution - Function on a Platinum Thin Film `. *IUCrJ* **9 (5)**, 594–603 (2022). + Function on a Platinum Thin Film `_. *IUCrJ* **9 (5)**, 594–603 (2022). Installation From 5b8f20cf1127a0f544be4edec1cbebee94fa33c1 Mon Sep 17 00:00:00 2001 From: Caden Myers <158210249+cadenmyers13@users.noreply.github.com> Date: Mon, 7 Oct 2024 12:45:33 -0400 Subject: [PATCH 6/7] Update README.rst --- README.rst | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/README.rst b/README.rst index 0a54c2c..58f2269 100644 --- a/README.rst +++ b/README.rst @@ -52,7 +52,7 @@ Citation If you use diffpy.fourigui in a scientific publication, we would like you to cite this package as - S. Y. Harouna-Mayer, S. Tao, Z. Gong, M. V. Zimmermann, D. Koziej, A.-C. Dippel, and S. J. L. Billinge + S. Y. Harouna-Mayer, S. Tao, Z. Gong, M. V. Zimmermann, D. Koziej, A.-C. Dippel, and S. J. L. Billinge, `Real-Space Texture and Pole-Figure Analysis Using the 3D Pair Distribution Function on a Platinum Thin Film `_. *IUCrJ* **9 (5)**, 594–603 (2022). From 48f4d3d3ddb11df5f2dbece1903bf3ded29f27bc Mon Sep 17 00:00:00 2001 From: Caden Myers Date: Tue, 8 Oct 2024 10:17:31 -0400 Subject: [PATCH 7/7] news file --- news/description.rst | 23 +++++++++++++++++++++++ 1 file changed, 23 insertions(+) create mode 100644 news/description.rst diff --git a/news/description.rst b/news/description.rst new file mode 100644 index 0000000..ae942cc --- /dev/null +++ b/news/description.rst @@ -0,0 +1,23 @@ +**Added:** + +* Added longer description to README along with proper citation for `diffpy.fourigui` + +**Changed:** + +* + +**Deprecated:** + +* + +**Removed:** + +* + +**Fixed:** + +* + +**Security:** + +*