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IndexAndRefine: Indexing time is now recorded in the main loop

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leonarski_f
2026-04-28 18:47:27 +02:00
parent 5f38e35aca
commit ae4c5a7758
1 changed files with 29 additions and 26 deletions
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image_analysis/IndexAndRefine.cpp
+29 -26
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@@ -50,6 +50,8 @@ IndexAndRefine::IndexingOutcome IndexAndRefine::DetermineLatticeAndSymmetryRotat
}
IndexAndRefine::IndexingOutcome IndexAndRefine::DetermineLatticeAndSymmetry(DataMessage &msg) {
auto indexing_start_time = std::chrono::steady_clock::now();
IndexingOutcome outcome(experiment);
// Convert input spots to reciprocal space
@@ -61,39 +63,39 @@ IndexAndRefine::IndexingOutcome IndexAndRefine::DetermineLatticeAndSymmetry(Data
}
auto indexer_result = indexer_->Run(experiment, recip);
msg.indexing_time_s = indexer_result.indexing_time_s;
if (indexer_result.executed)
msg.indexing_result = false;
if (indexer_result.lattice.empty())
return outcome;
if (!indexer_result.lattice.empty()) {
auto latt = indexer_result.lattice[0];
if (latt.CalcVolume() > 1.0) {
auto sg = experiment.GetGemmiSpaceGroup();
auto latt = indexer_result.lattice[0];
if (latt.CalcVolume() < 1.0)
return outcome;
auto sg = experiment.GetGemmiSpaceGroup();
// If space group and cell provided => always enforce symmetry in refinement
// If space group not provided => guess symmetry
if (sg && experiment.GetUnitCell()) {
outcome.symmetry = LatticeMessage{
.centering = sg->centring_type(),
.niggli_class = 0,
.crystal_system = sg->crystal_system()
};
outcome.lattice_candidate = latt;
} else {
auto sym_result = LatticeSearch(latt);
outcome.symmetry = LatticeMessage{
.centering = sym_result.centering,
.niggli_class = sym_result.niggli_class,
.crystal_system = sym_result.system
};
outcome.lattice_candidate = sym_result.conventional;
// If space group and cell provided => always enforce symmetry in refinement
// If space group not provided => guess symmetry
if (sg && experiment.GetUnitCell()) {
outcome.symmetry = LatticeMessage{
.centering = sg->centring_type(),
.niggli_class = 0,
.crystal_system = sg->crystal_system()
};
outcome.lattice_candidate = latt;
} else {
auto sym_result = LatticeSearch(latt);
outcome.symmetry = LatticeMessage{
.centering = sym_result.centering,
.niggli_class = sym_result.niggli_class,
.crystal_system = sym_result.system
};
outcome.lattice_candidate = sym_result.conventional;
}
}
}
auto indexing_end_time = std::chrono::steady_clock::now();
msg.indexing_time_s = std::chrono::duration<float>(indexing_end_time - indexing_start_time).count();
return outcome;
}
@@ -242,6 +244,7 @@ void IndexAndRefine::ProcessImage(DataMessage &msg,
return;
IndexingOutcome outcome(experiment);
if (rotation_indexer)
outcome = DetermineLatticeAndSymmetryRotation(msg);
else