Add unit test for ModHKL ranges and release notes

Framework/Crystal/test/FindUBUsingIndexedPeaksTest.h

@@ -134,6 +134,41 @@ public:
       TS_ASSERT_DELTA(correct_err2[i], err_calculated2[i], 5e-4);
     }
 
+    // Remove workspace from the data service.
+    AnalysisDataService::Instance().remove("peaks");
+  }
+  void test_mod2() {
+    // this test check that the ModHKL vectors are the correct ranges
+    // -0.5<q<=0.5
+    LoadIsawPeaks alg1;
+    TS_ASSERT_THROWS_NOTHING(alg1.initialize())
+    TS_ASSERT(alg1.isInitialized())
+    alg1.setPropertyValue("Filename", "Modulated2.peaks");
+    alg1.setPropertyValue("OutputWorkspace", "peaks");
+
+    TS_ASSERT(alg1.execute());
+    TS_ASSERT(alg1.isExecuted());
+
+    PeaksWorkspace_sptr ws;
+    TS_ASSERT_THROWS_NOTHING(
+        ws = boost::dynamic_pointer_cast<PeaksWorkspace>(
+            AnalysisDataService::Instance().retrieve("peaks")));
+    TS_ASSERT(ws);
+    if (!ws)
+      return;
+
+    OrientedLattice latt = ws->mutableSample().getOrientedLattice();
+
+    double correct_modHKL[] = {-0.37658208, -0.00133659, 0.,
+                               -0.00140254, 0.3747229,   0.,
+                               0.00176291,  0.00042566,  0.};
+
+    auto modHKL = latt.getModHKL().getVector();
+
+    for (size_t i = 0; i < 9; i++) {
+      TS_ASSERT_DELTA(correct_modHKL[i], modHKL[i], 5e-4);
+    }
+
     // Remove workspace from the data service.
     AnalysisDataService::Instance().remove("peaks");
   }

Testing/Data/UnitTest/Modulated2.peaks.md5

+85bb4af4571b4bbbf107015feb270088

docs/source/release/v4.2.0/diffraction.rst

@@ -47,6 +47,7 @@ Bug Fixes
 - :ref:`IndexPeaksWithSatellites <algm-IndexPeaksWithSatellites>` & :ref:`IndexPeaks <algm-IndexPeaks>` have been fixed
   so that they correctly report the number of main & satellite reflections that have been indexed. Also, if a satellite
   peak cannot be indexed its HKL is reset to 000 rather than accidentally setting it to the HKL of the main reflection.
+- When calculating ModUB the ModHKL are now set to the range -0.5<q<=0.5
 
 Imaging
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