From 9f727f820ec925211f96f98bf00f23aac0fcd1c0 Mon Sep 17 00:00:00 2001
From: Clemens Schmid <clemisch@tuta.io>
Date: Fri, 16 Jan 2026 08:51:58 +0100
Subject: [PATCH 1/2] Add SetPowderPatternObsSigma to ObjCryst and expose
 GetPowderPatternObsSigma/SetPowderPatternObsSigma in the Python bindings

---
 src/extensions/powderpattern_ext.cpp | 13 +++++++++++++
 1 file changed, 13 insertions(+)

diff --git a/src/extensions/powderpattern_ext.cpp b/src/extensions/powderpattern_ext.cpp
index e9188d2..28646eb 100644
--- a/src/extensions/powderpattern_ext.cpp
+++ b/src/extensions/powderpattern_ext.cpp
@@ -141,6 +141,13 @@ void setpowderpatternobs (PowderPattern& pp, bp::object x)
     pp.SetPowderPatternObs(cvx);
 }
 
+void setpowderpatternobssigma (PowderPattern& pp, bp::object x)
+{
+    CrystVector_REAL cvx;
+    assignCrystVector(cvx, x);
+    pp.SetPowderPatternObsSigma(cvx);
+}
+
 
 // Allow override (since we can't benefit from override in RefinableObjWrap)
 class PowderPatternWrap : public PowderPattern, public wrapper<PowderPattern>
@@ -230,6 +237,9 @@ void wrap_powderpattern()
         .def("GetPowderPatternObs",
                 &PowderPattern::GetPowderPatternObs,
                 return_value_policy<copy_const_reference>())
+        .def("GetPowderPatternObsSigma",
+                &PowderPattern::GetPowderPatternObsSigma,
+                return_value_policy<copy_const_reference>())
         .def("GetPowderPatternX",
                 &PowderPattern::GetPowderPatternX,
                 return_value_policy<copy_const_reference>())
@@ -287,6 +297,9 @@ void wrap_powderpattern()
         .def("SetPowderPatternObs",
                 &setpowderpatternobs,
                 bp::arg("obs"))
+        .def("SetPowderPatternObsSigma",
+                &setpowderpatternobssigma,
+                bp::arg("sigma"))
         .def("FitScaleFactorForR",
                 &PowderPattern::FitScaleFactorForR)
         .def("FitScaleFactorForIntegratedR",

From 92f9fdd94a08ff8cbde2dd08d4d0de18e2869d29 Mon Sep 17 00:00:00 2001
From: Clemens Schmid <clemisch@tuta.io>
Date: Mon, 2 Feb 2026 14:03:07 +0100
Subject: [PATCH 2/2] Add test for
 GetPowderPatternObsSigma/SetPowderPatternObsSigma

---
 tests/test_powderpattern.py | 11 +++++++++++
 1 file changed, 11 insertions(+)

diff --git a/tests/test_powderpattern.py b/tests/test_powderpattern.py
index 48c6837..7acb666 100644
--- a/tests/test_powderpattern.py
+++ b/tests/test_powderpattern.py
@@ -101,6 +101,17 @@ def test_SetPowderPatternObs(self):
         self.assertTrue(np.array_equal(obs[::-1], pp.GetPowderPatternObs()))
         return
 
+    def test_SetPowderPatternObsSigma(self):
+        pp = self.pp
+        obs = np.array([1.0, 3.0, 7.0])
+        sig = np.array([1.0, 2.0, 3.0])
+        self.assertRaises(ObjCrystException, pp.SetPowderPatternObsSigma, sig)
+        pp.SetPowderPatternPar(0, 0.5, 3)
+        pp.SetPowderPatternObs(obs)
+        pp.SetPowderPatternObsSigma(sig)
+        self.assertTrue(np.array_equal(sig, pp.GetPowderPatternObsSigma()))
+        return
+
     def test_SetPowderPatternPar(self):
         pp = self.pp
         pp.SetPowderPatternPar(0, 0.25, 5)