From 9ca7164b3e9daf681a925c77eb4cff6a1d9dcc07 Mon Sep 17 00:00:00 2001 From: Sparks29032 Date: Wed, 9 Jul 2025 18:47:02 -0500 Subject: [PATCH 1/2] Bug fix for smear-pdf --- src/diffpy/morph/morph_helpers/transformrdftopdf.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/diffpy/morph/morph_helpers/transformrdftopdf.py b/src/diffpy/morph/morph_helpers/transformrdftopdf.py index 495c7dda..54656ccf 100644 --- a/src/diffpy/morph/morph_helpers/transformrdftopdf.py +++ b/src/diffpy/morph/morph_helpers/transformrdftopdf.py @@ -57,7 +57,7 @@ def morph(self, x_morph, y_morph, x_target, y_target): self.y_morph_out = ( self.y_morph_in / self.x_morph_in + morph_baseline ) - self.y_morph_out[self.x_target_in == 0] = 0 + self.y_morph_out[self.x_morph_in == 0] = 0 return self.xyallout From 7758973acfe2b04648e1b217b947165c1c561a91 Mon Sep 17 00:00:00 2001 From: Sparks29032 Date: Wed, 9 Jul 2025 18:53:04 -0500 Subject: [PATCH 2/2] News --- news/smear_pdf_bug.rst | 23 +++++++++++++++++++++++ 1 file changed, 23 insertions(+) create mode 100644 news/smear_pdf_bug.rst diff --git a/news/smear_pdf_bug.rst b/news/smear_pdf_bug.rst new file mode 100644 index 00000000..1b897755 --- /dev/null +++ b/news/smear_pdf_bug.rst @@ -0,0 +1,23 @@ +**Added:** + +* + +**Changed:** + +* + +**Deprecated:** + +* + +**Removed:** + +* + +**Fixed:** + +* When transforming from the RDF to PDF in the smear-pdf morph, we incorrectly referenced the target grid zero point, when we should be referencing the morph grid zero point. This would lead to the morph PDF being set to zero on a point corresponding to when the target PDF grid value is zero. The correct behavior is for the morph PDF to be set to zero when the morph PDF grid value is zero. This has been fixed. + +**Security:** + +*