v1.0.0-rc.81

This commit is contained in:
2025-09-21 19:27:51 +02:00
parent 3ded4cd3ce
commit 5d9d2de4a4
243 changed files with 3401 additions and 935 deletions
+6 -3
View File
@@ -8,6 +8,7 @@ void Indexer::Setup(const DiffractionExperiment& experiment) {
indexing_tolerance = experiment.GetIndexingSettings().GetTolerance();
dist_tolerance_vs_reference = experiment.GetIndexingSettings().GetUnitCellDistTolerance();
viable_cell_min_spots = experiment.GetIndexingSettings().GetViableCellMinSpots();
index_ice_rings = experiment.GetIndexingSettings().GetIndexIceRings();
SetupUnitCell(experiment.GetUnitCell());
}
@@ -17,10 +18,12 @@ std::optional<CrystalLattice> Indexer::Run(DataMessage &message) {
std::vector<Coord> recip;
recip.reserve(message.spots.size());
for (const auto &i: message.spots)
recip.push_back(i.ReciprocalCoord(geom));
for (const auto &i: message.spots) {
if (index_ice_rings || !i.ice_ring)
recip.push_back(i.ReciprocalCoord(geom));
}
auto ret = Run(recip, message.spots.size());
auto ret = Run(recip, recip.size());
auto end = std::chrono::high_resolution_clock::now();
std::chrono::duration<float> duration = end - start;