RefinementTest: the GPU restraint check on an engine made for a cell its gather takes

The restraints do not read the cell; the 14 A cell that makes the symmetry contacts is too narrow for the
gather's boxes, so the engine was refused.

Co-Authored-By: Claude Opus 5.5 <noreply@anthropic.com>
Claude-Session: https://claude.ai/code/session_015CeEGgpKdfkCTJb3YNMJcu
(cherry picked from commit a6e00e10ce1798a97d1f054c7553cc9eb6b5cf4b)

tests/RefinementTest.cpp

@@ -305,9 +305,11 @@ TEST_CASE("RefinementRestraints_gradient", "[Refinement]") {
 #ifdef JFJOCH_USE_CUDA
     if (get_gpu_count() > 0) {
         // the GPU's float evaluation of the same set
-        std::vector<MergedReflection> merged = asu_reflections(cell, *st.find_spacegroup(), 3.0);
-        RefinementReflections refl = PrepareRefinementReflections(merged, cell, *st.find_spacegroup(), 3.0);
-        auto gpu = MakeRefinementEngineGPU(0, cell, *st.find_spacegroup(), 3.0, refl, st.models[0], 100.0, SIZE_MAX);
+        // (the engine is made for a cell wide enough for its gather; the restraints do not read the cell)
+        const gemmi::UnitCell wide_cell(40, 40, 40, 90, 90, 90);
+        std::vector<MergedReflection> merged = asu_reflections(wide_cell, *st.find_spacegroup(), 3.0);
+        RefinementReflections refl = PrepareRefinementReflections(merged, wide_cell, *st.find_spacegroup(), 3.0);
+        auto gpu = MakeRefinementEngineGPU(0, wide_cell, *st.find_spacegroup(), 3.0, refl, st.models[0], 100.0, SIZE_MAX);
         REQUIRE(gpu);
         gpu->SetRestraints(0, set);
         std::vector<std::array<double, 4>> ggpu;