From 95f02d9e87fabce8ed14adc50366ac1d31d3f11a Mon Sep 17 00:00:00 2001
From: Clemens Schmid <clemisch@tuta.io>
Date: Fri, 16 Jan 2026 09:07:17 +0100
Subject: [PATCH 1/2] Add SetPowderPatternObsSigma

---
 ObjCryst/ObjCryst/PowderPattern.cpp | 15 +++++++++++++++
 ObjCryst/ObjCryst/PowderPattern.h   |  2 ++
 2 files changed, 17 insertions(+)

diff --git a/ObjCryst/ObjCryst/PowderPattern.cpp b/ObjCryst/ObjCryst/PowderPattern.cpp
index dc58494..891736b 100644
--- a/ObjCryst/ObjCryst/PowderPattern.cpp
+++ b/ObjCryst/ObjCryst/PowderPattern.cpp
@@ -3862,6 +3862,21 @@ supplied vector of observed intensities does not have the expected number of poi
       (*fpObjCrystInformUser)((string)buf);
    }
 }
+
+void PowderPattern::SetPowderPatternObsSigma(const CrystVector_REAL& sigma)
+{
+   VFN_DEBUG_MESSAGE("PowderPattern::SetPowderPatternObsSigma()",5)
+   if((unsigned long)sigma.numElements() != mNbPoint)
+   {
+      throw(ObjCrystException("PowderPattern::SetPowderPatternObsSigma(vect): The \
+supplied vector of sigma does not have the expected number of points!"));
+   }
+
+   mPowderPatternObsSigma = sigma;
+   mPowderPatternWeight.resize(mNbPoint);
+   this->SetWeightToInvSigmaSq();
+   mClockIntegratedFactorsPrep.Reset();
+}
 void PowderPattern::SavePowderPattern(const string &filename) const
 {
    VFN_DEBUG_MESSAGE("PowderPattern::SavePowderPattern",5)
diff --git a/ObjCryst/ObjCryst/PowderPattern.h b/ObjCryst/ObjCryst/PowderPattern.h
index 86bf3a4..c42fff5 100644
--- a/ObjCryst/ObjCryst/PowderPattern.h
+++ b/ObjCryst/ObjCryst/PowderPattern.h
@@ -816,6 +816,8 @@ class PowderPattern : public RefinableObj
          * for example by calling DiffractionDataPowder::InitPowderPatternPar().
          */
          void SetPowderPatternObs(const CrystVector_REAL& obs);
+         /// Set sigma for each point of the observed powder pattern.
+         void SetPowderPatternObsSigma(const CrystVector_REAL& sigma);
 
          ///Save powder pattern to one file, text format, 3 columns theta Iobs Icalc.
          ///If Iobs is missing, the column is omitted.

From 3d83807cb1fa87cc40b817068719e7910191eda2 Mon Sep 17 00:00:00 2001
From: "pre-commit-ci[bot]"
 <66853113+pre-commit-ci[bot]@users.noreply.github.com>
Date: Mon, 2 Feb 2026 13:08:30 +0000
Subject: [PATCH 2/2] [pre-commit.ci] auto fixes from pre-commit hooks

---
 Fox/src/Fox.cpp                  | 4 ++--
 Fox/src/foxgrid/FoxGridSlave.cpp | 2 +-
 2 files changed, 3 insertions(+), 3 deletions(-)

diff --git a/Fox/src/Fox.cpp b/Fox/src/Fox.cpp
index dcb60e1..693913c 100644
--- a/Fox/src/Fox.cpp
+++ b/Fox/src/Fox.cpp
@@ -1018,7 +1018,7 @@ int main (int argc, char *argv[])
                     } else {
                         wxMessageDialog d(NULL,_T("Failed loading file:\n")+name,_T("Error"),wxOK|wxICON_ERROR);
                         d.ShowModal();
-                    }                    
+                    }
               };
             }
             else
@@ -1047,7 +1047,7 @@ int main (int argc, char *argv[])
                      } else {
                         wxMessageDialog d(NULL,_T("Failed loading file:\n")+name,_T("Error"),wxOK|wxICON_ERROR);
                         d.ShowModal();
-                     } 
+                     }
                   };
                }
             }
diff --git a/Fox/src/foxgrid/FoxGridSlave.cpp b/Fox/src/foxgrid/FoxGridSlave.cpp
index eff7f7d..7bf0abb 100644
--- a/Fox/src/foxgrid/FoxGridSlave.cpp
+++ b/Fox/src/foxgrid/FoxGridSlave.cpp
@@ -347,7 +347,7 @@ void FoxGridSlave::CheckJobsAndStartCalculation()
                 WriteLogMessage("ERROR: Can't write a file " + proc->dir + _T("\\input.xml"));
                 return;
             }
-            
+
             wxString cmd_content;
             wxString appname = wxApp::GetInstance()->argv[0];
             if(rand) {