v1.0.0-rc.128 (#35)

This is an UNSTABLE release. The release has significant modifications and bug fixes, if things go wrong, it is better to revert to 1.0.0-rc.124.

* jfjoch_broker: Handle properly reuse of image buffer locations
* jfjoch_broker: Fix bug in counting idle slots
* jfjoch_broker: Force obtuse angle for monoclinic cells
* jfjoch_process: Change scaling refinement tolerance

Reviewed-on: #35
Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
Co-committed-by: Filip Leonarski <filip.leonarski@psi.ch>

image_analysis/RotationIndexer.cpp

@@ -76,8 +76,8 @@ void RotationIndexer::TryIndex() {
     if (!indexer_result.lattice.empty()) {
         // Find lattice type
         search_result_ = LatticeSearch(indexer_result.lattice[0]);
-        // Run refinement
 
+        // Run refinement
         DiffractionExperiment experiment_copy(experiment);
         XtalOptimizerData data{
             .geom = experiment_copy.GetDiffractionGeometry(),
@@ -95,6 +95,8 @@ void RotationIndexer::TryIndex() {
         if (data.crystal_system == gemmi::CrystalSystem::Trigonal)
             data.crystal_system = gemmi::CrystalSystem::Hexagonal;
 
+        if (data.crystal_system == gemmi::CrystalSystem::Monoclinic)
+            data.latt.ReorderMonoclinic();
         if (XtalOptimizer(data, v_sel)) {
             indexed_lattice = data.latt;
             updated_geom_ = data.geom;
@@ -132,6 +134,7 @@ std::optional<RotationIndexerResult> RotationIndexer::ProcessImage(int64_t image
     }
     if (!indexed_lattice)
         return {};
+
     return RotationIndexerResult{
         .lattice = indexed_lattice.value(),
         .search_result = search_result_,