v.1.0.0-rc.32

image_analysis/IndexerWrapper.cpp

@@ -37,7 +37,7 @@ void IndexerWrapper::Setup(const UnitCell &cell) {
 #endif
 }
 
-std::vector<IndexingResult> IndexerWrapper::Run(const std::vector<Coord> &coord, float indexing_threshold, int nspots) {
+std::vector<IndexingResult> IndexerWrapper::Run(const std::vector<Coord> &coord, float indexing_threshold, size_t nspots) {
 #ifdef JFJOCH_USE_CUDA
     std::vector<IndexingResult> ret;
 
@@ -112,6 +112,39 @@ std::vector<IndexingResult> IndexerWrapper::Run(const std::vector<Coord> &coord,
 #endif
 }
 
+void IndexerWrapper::Run(DataMessage &message,
+                         const std::vector<DiffractionSpot> &spots,
+                         const DiffractionGeometry &geom,
+                         float indexing_threshold) {
+
+    size_t nspots = spots.size();
+
+    std::vector<Coord> recip;
+    recip.reserve(spots.size());
+
+    for (const auto &i: spots)
+        recip.push_back(i.ReciprocalCoord(geom));
+
+    std::vector<IndexingResult> ret;
+
+    if (nspots > 80)
+        ret = Run(recip, indexing_threshold, 50);
+    if (ret.empty())
+        ret = Run(recip, indexing_threshold, nspots);
+
+    if (!ret.empty()) {
+        message.indexing_result = true;
+        assert(ret[0].indexed_spot.size() == message.spots.size());
+
+        // identify indexed spots
+        for (int i = 0; i < message.spots.size(); i++)
+            message.spots[i].indexed = ret[0].indexed_spot[i];
+
+        message.indexing_lattice = ret[0].l.GetVector();
+        message.indexing_unit_cell = ret[0].l.GetUnitCell();
+    }
+}
+
 IndexerWrapper::IndexerWrapper() {
     impl_ = std::make_unique<IndexerWrapperImpl>();
 }