v1.0.0-rc.148 (#58)

This is an UNSTABLE release. The release has significant modifications for data processing - in case of troubles go back to 1.0.0-rc.144.

* jfjoch_broker: Improve azimuthal integration (add <I^2> calculation)
* jfjoch_broker: Fixes around indexing, aiming to handle multi-lattice crystals (work in progress, it is not fully integrated)
* jfjoch_writer: Save mean(I), stddev(I), and count(I) for each azimuthal bin

Reviewed-on: #58

tests/IndexingUnitTest.cpp

@@ -218,10 +218,26 @@ TEST_CASE("FFTIndexer","[Indexing]") {
     auto end = std::chrono::high_resolution_clock::now();
 
     REQUIRE(result.lattice.size() == 1);
+
     auto uc_out = result.lattice[0].GetUnitCell();
-    CHECK(uc_out.a == Catch::Approx(uc.a));
-    CHECK(uc_out.b == Catch::Approx(uc.b));
-    CHECK(uc_out.c == Catch::Approx(uc.c));
+
+    // Collect and sort both sets of lengths to compare order-independently
+    std::array<float, 3> out_lengths = {
+        static_cast<float>(uc_out.a),
+        static_cast<float>(uc_out.b),
+        static_cast<float>(uc_out.c)
+    };
+    std::array<float, 3> ref_lengths = {
+        static_cast<float>(uc.a),
+        static_cast<float>(uc.b),
+        static_cast<float>(uc.c)
+    };
+    std::sort(out_lengths.begin(), out_lengths.end());
+    std::sort(ref_lengths.begin(), ref_lengths.end());
+
+    CHECK(out_lengths[0] == Catch::Approx(ref_lengths[0]));
+    CHECK(out_lengths[1] == Catch::Approx(ref_lengths[1]));
+    CHECK(out_lengths[2] == Catch::Approx(ref_lengths[2]));
 
     CHECK(uc_out.alpha == Catch::Approx(uc.alpha));
     CHECK(uc_out.beta == Catch::Approx(uc.beta));