35 lines
978 B
C++
35 lines
978 B
C++
// Copyright (2019-2022) Paul Scherrer Institute
|
|
// SPDX-License-Identifier: GPL-3.0-or-later
|
|
|
|
#include "IndexerWrapper.h"
|
|
|
|
void IndexerWrapper::Setup(const UnitCell &cell) {
|
|
indexer.iCellM() = CrystalLattice(cell).GetEigenMatrix();
|
|
}
|
|
|
|
std::vector<CrystalLattice> IndexerWrapper::Run(const std::vector<Coord> &coord) {
|
|
std::vector<CrystalLattice> ret;
|
|
|
|
if (coord.size() < MIN_SPOTS_TO_INDEX)
|
|
return ret;
|
|
|
|
size_t nspots = std::min<size_t>(MAX_SPOTS_TO_INDEX, coord.size());
|
|
|
|
for (int i = 0; i < nspots; i++) {
|
|
indexer.spotX(i) = coord[i].x;
|
|
indexer.spotY(i) = coord[i].y;
|
|
indexer.spotZ(i) = coord[i].z;
|
|
}
|
|
|
|
// Index
|
|
indexer.index(1, nspots);
|
|
|
|
// 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))
|
|
ret.emplace_back(indexer.oCell(id));
|
|
|
|
return ret;
|
|
} |