General function to write reflections in multiple formats (need to better integrate into jfjoch_scale and jfjoch_process)

tools/jfjoch_scale.cpp

@@ -28,7 +28,7 @@
 #include "../image_analysis/LoadFCalcFromMtz.h"
 #include "../image_analysis/scale_merge/Merge.h"
 #include "../image_analysis/scale_merge/SearchSpaceGroup.h"
-#include "../image_analysis/WriteMmcif.h"
+#include "../image_analysis/WriteReflections.h"
 #include "../image_analysis/UpdateReflectionResolution.h"
 
 void print_usage(Logger &logger) {
@@ -333,33 +333,6 @@ int main(int argc, char **argv) {
     // Print resolution-shell statistics table
     merge_stats.Print(logger);
 
-    {
-        const std::string hkl_path = output_prefix + "_intensities.hkl";
-        std::ofstream hkl_file(hkl_path);
-        if (!hkl_file) {
-            logger.Error("Cannot open {} for writing", hkl_path);
-        } else {
-            for (const auto &r: merge_result) {
-                hkl_file << r.h << " " << r.k << " " << r.l << " "
-                        << r.I << " " << r.sigma
-                        << "\n";
-            }
-            hkl_file.close();
-            logger.Info("Wrote {} reflections to {}", merge_result.size(), hkl_path);
-        }
-    }
-
-    try {
-        const std::string cif_path = output_prefix + "_intensities.cif";
-
-        MmcifMetadata cif_meta;
-
-        cif_meta.Fill(experiment);
-        cif_meta.data_block_name = output_prefix;
-
-        WriteMmcifReflections(cif_path, merge_result, cif_meta);
-        logger.Info("Wrote mmCIF reflections to {}", cif_path);
-    } catch (const std::exception &e) {
-        logger.Error("Failed to write mmCIF: {}", e.what());
-    }
+    if (!output_prefix.empty())
+        WriteReflections(merge_result, *experiment.GetUnitCell(), experiment, output_prefix);
 }