IndexerWrapper: Add indexed spots information

image_analysis/IndexerWrapper.cpp

@@ -9,11 +9,27 @@ void IndexerWrapper::Setup(const UnitCell &cell) {
 #endif
 }
 
+// Select spots that belong to indexing solution
+// - cell       cell in real space
+// - spots      spots in reciprocal space
+// - threshold  radius around approximated miller indices
+template <typename Mat3, typename MatX3, typename float_type=typename Mat3::Scalar>
+inline auto select_indexed_spots(const Eigen::MatrixBase<Mat3>& cell,
+                                 const Eigen::MatrixBase<MatX3>& spots,
+                                 float_type threshold=.02f)
+{
+    using M3x = Eigen::MatrixX3<float_type>;
+    M3x resid = spots * cell.transpose();
+    const M3x miller = round(resid.array());
+    resid -= miller;
+    return resid.rowwise().norm().array() < threshold;
+}
+
 std::vector<IndexingResult> IndexerWrapper::Run(const std::vector<Coord> &coord) {
 #ifdef JFJOCH_USE_CUDA
     std::vector<IndexingResult> ret;
 
-    if (coord.size() <  MIN_SPOTS_TO_INDEX)
+    if (coord.size() <= min_spots)
         return ret;
 
     size_t nspots = std::min<size_t>(MAX_SPOTS_TO_INDEX, coord.size());
@@ -30,10 +46,21 @@ std::vector<IndexingResult> IndexerWrapper::Run(const std::vector<Coord> &coord)
     // Get best cell
     auto id = fast_feedback::refine::best_cell(indexer.oScoreV());
 
-    // Check if is viable
-    if (fast_feedback::refine::is_viable_cell(indexer.oCell(id), indexer.Spots(), 0.05f, 9u)) {
+    // Get indexed spots
+    auto arr = select_indexed_spots(indexer.oCell(id), indexer.Spots(), threshold);
+
+    auto indexed_spot_count = arr.count();
+    // Check if result is viable
+    if (indexed_spot_count > min_spots) {
         IndexingResult result;
         result.l = CrystalLattice(indexer.oCell(id));
+
+        result.indexed_spots.resize(coord.size());
+        for (int i = 0; i < arr.size(); i++)
+            result.indexed_spots[i] = arr[i];
+
+        result.indexed_spots_count = indexed_spot_count;
+
         ret.emplace_back(result);
     }