v1.0.0-rc.107 (#12)

This is an UNSTABLE release.

* jfjoch_viewer: Minor polishing of new functionality
* jfjoch_broker: User NaN for empty azimuthal bins

Reviewed-on: #12
Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
Co-committed-by: Filip Leonarski <filip.leonarski@psi.ch>

image_analysis/SpotAnalyze.cpp

@@ -47,6 +47,8 @@ void SpotAnalyze(const DiffractionExperiment &experiment,
         if (!latt)
             output.indexing_result = false;
         else {
+            auto uc = latt->GetUnitCell();
+
             bool beam_center_updated = false;
 
             auto sg = experiment.GetGemmiSpaceGroup();

image_analysis/bragg_integration/BraggPrediction.h

@@ -5,7 +5,6 @@
 #define JFJOCH_BRAGGPREDICTION_H
 
 #include <vector>
-#include "../../symmetry/gemmi/symmetry.hpp"
 
 #include "../../common/CrystalLattice.h"
 #include "../../common/DiffractionExperiment.h"

image_analysis/indexing/FFTIndexer.cpp

@@ -204,5 +204,13 @@ std::vector<CrystalLattice> FFTIndexer::Run(const std::vector<Coord> &coord, siz
         .indexing_tolerance = indexing_tolerance
     };
 
-    return Refine(coord, nspots, oCell, scores, parameters);
+    auto ref_latt = Refine(coord, nspots, oCell, scores, parameters);
+    if (ref_latt.size() >= 1) {
+        auto uc = ref_latt.at(0).GetUnitCell();
+        if (uc.alpha < min_angle_deg || uc.alpha > max_angle_deg
+            || uc.beta < min_angle_deg || uc.beta > max_angle_deg
+            || uc.gamma < min_angle_deg || uc.gamma > max_angle_deg)
+            return {};
+    }
+    return ref_latt;
 }