UpdateReflectionResolution: Separate file + clear bug

2026-05-17 17:11:45 +02:00
parent f5447b3478
commit 39fef1bcef
7 changed files with 37 additions and 22 deletions
@@ -0,0 +1,23 @@
+// SPDX-FileCopyrightText: 2025 Filip Leonarski, Paul Scherrer Institute <filip.leonarski@psi.ch>
+// SPDX-License-Identifier: GPL-3.0-only
+
+#include "UpdateReflectionResolution.h"
+#include "../common/CrystalLattice.h"
+
+void UpdateReflectionResolution(const UnitCell &cell, std::vector<std::vector<Reflection> > &reflections) {
+    CrystalLattice latt(cell);
+    const auto astar = latt.Astar();
+    const auto bstar = latt.Bstar();
+    const auto cstar = latt.Cstar();
+
+    for (auto &image: reflections) {
+        for (auto &r: image) {
+            Coord q = r.h * astar + r.k * bstar + r.l * cstar;
+            auto qlen = q.Length();
+            if (qlen > 1e-6)
+                r.d = 1/qlen;
+            else
+                r.d = NAN;
+        }
+    }
+}