leonarski_f
c1c170112c
Build Packages / build:rpm (ubuntu2404_nocuda) (push) Successful in 11m17s
Build Packages / build:rpm (ubuntu2204_nocuda) (push) Successful in 13m48s
Build Packages / build:rpm (rocky8_nocuda) (push) Successful in 13m57s
Build Packages / build:rpm (rocky8_sls9) (push) Successful in 15m15s
Build Packages / build:rpm (rocky9_nocuda) (push) Successful in 15m35s
Build Packages / build:rpm (rocky9_sls9) (push) Successful in 15m29s
Build Packages / build:rpm (ubuntu2204) (push) Successful in 10m55s
Build Packages / XDS test (durin plugin) (push) Successful in 8m17s
Build Packages / build:rpm (rocky9) (push) Successful in 12m17s
Build Packages / build:rpm (ubuntu2404) (push) Successful in 11m2s
Build Packages / Generate python client (push) Successful in 30s
Build Packages / Create release (push) Has been skipped
Build Packages / Build documentation (push) Successful in 51s
Build Packages / XDS test (JFJoch plugin) (push) Successful in 7m13s
Build Packages / DIALS test (push) Successful in 13m19s
Build Packages / XDS test (neggia plugin) (push) Successful in 5m52s
Build Packages / Unit tests (push) Successful in 1h18m25s
Build Packages / build:rpm (rocky8) (push) Successful in 7m2s
This is an UNSTABLE release. The release has significant modifications and bug fixes, if things go wrong, it is better to revert to 1.0.0-rc.132. * jfjoch_broker: Improve logic regarding indexing architecture and thread pools (work in progress). Reviewed-on: #45
55 lines
1.7 KiB
C++
55 lines
1.7 KiB
C++
// SPDX-FileCopyrightText: 2025 Filip Leonarski, Paul Scherrer Institute <filip.leonarski@psi.ch>
|
|
// SPDX-License-Identifier: GPL-3.0-only
|
|
|
|
#include "FFBIDXIndexer.h"
|
|
#include "PostIndexingRefinement.h"
|
|
|
|
void FFBIDXIndexer::SetupUnitCell(const std::optional<UnitCell> &cell) {
|
|
if (!cell.has_value())
|
|
throw JFJochException(JFJochExceptionCategory::InputParameterInvalid,
|
|
"FFBIDX requires unit cell");
|
|
reference_unit_cell = cell;
|
|
|
|
CrystalLattice l1(cell.value());
|
|
|
|
Eigen::Matrix3f m;
|
|
indexer.iCellM() << l1.Vec0().x, l1.Vec0().y, l1.Vec0().z,
|
|
l1.Vec1().x, l1.Vec1().y, l1.Vec1().z,
|
|
l1.Vec2().x, l1.Vec2().y, l1.Vec2().z;
|
|
}
|
|
|
|
std::vector<CrystalLattice> FFBIDXIndexer::RunInternal(const std::vector<Coord> &coord, size_t nspots) {
|
|
std::vector<CrystalLattice> ret;
|
|
|
|
if (nspots > coord.size())
|
|
nspots = coord.size();
|
|
|
|
if (nspots < viable_cell_min_spots)
|
|
return ret;
|
|
|
|
assert(nspots <= MAX_SPOT_COUNT);
|
|
assert(coord.size() <= MAX_SPOT_COUNT);
|
|
|
|
for (int i = 0; i < coord.size(); i++) {
|
|
indexer.spotX(i) = coord[i].x;
|
|
indexer.spotY(i) = coord[i].y;
|
|
indexer.spotZ(i) = coord[i].z;
|
|
}
|
|
|
|
// Index
|
|
indexer.index(1, nspots);
|
|
|
|
RefineParameters parameters{
|
|
.viable_cell_min_spots = viable_cell_min_spots,
|
|
.dist_tolerance_vs_reference = dist_tolerance_vs_reference,
|
|
.reference_unit_cell = reference_unit_cell,
|
|
.min_length_A = 1, // doesn't matter
|
|
.max_length_A = 1000, // doesn't matter
|
|
.min_angle_deg = 30,
|
|
.max_angle_deg = 150,
|
|
.indexing_tolerance = indexing_tolerance
|
|
};
|
|
|
|
return Refine(coord, nspots, indexer.oCellM(), indexer.oScoreV(), parameters);
|
|
}
|