RotationIndexer: Works on test lyso with consistent result to XDS!!!

This commit is contained in:
2025-11-29 18:10:09 +01:00
parent 549bb9fb5d
commit c67b4d0bb7
2 changed files with 20 additions and 16 deletions
+2 -5
View File
@@ -81,8 +81,6 @@ void RotationIndexer::TryIndex() {
if (!indexer_result.lattice.empty()) {
// Find lattice type
auto sym_result = LatticeSearch(indexer_result.lattice[0]);
indexed_lattice = indexer_result.lattice[0];
/*
// Run refinement
DiffractionExperiment experiment_copy(experiment);
@@ -92,16 +90,15 @@ void RotationIndexer::TryIndex() {
.crystal_system = sym_result.system,
.min_spots = experiment.GetIndexingSettings().GetViableCellMinSpots(),
.refine_beam_center = true,
.refine_distance_mm = false,
.refine_distance_mm = true,
.axis = axis_
};
if (data.crystal_system == gemmi::CrystalSystem::Trigonal)
data.crystal_system = gemmi::CrystalSystem::Hexagonal;
if (XtalOptimizer(data, v_sel)) {
if (XtalOptimizer(data, v_sel))
indexed_lattice = data.latt;
}*/
}
}