59 lines
1.5 KiB
C++
59 lines
1.5 KiB
C++
// Copyright (2019-2023) Paul Scherrer Institute
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#include "IndexerWrapper.h"
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void IndexerWrapper::Setup(const UnitCell &cell) {
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#ifdef JFJOCH_USE_CUDA
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indexer.iCellM() = CrystalLattice(cell).GetEigenMatrix();
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#endif
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}
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std::vector<IndexingResult> IndexerWrapper::Run(const std::vector<Coord> &coord) {
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#ifdef JFJOCH_USE_CUDA
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std::vector<IndexingResult> ret;
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if (coord.size() <= min_spots)
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return ret;
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size_t nspots = std::min<size_t>(MAX_SPOT_COUNT, coord.size());
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for (int i = 0; i < nspots; i++) {
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indexer.spotX(i) = coord[i].x;
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indexer.spotY(i) = coord[i].y;
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indexer.spotZ(i) = coord[i].z;
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}
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// Index
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indexer.index(1, nspots);
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// Get best cell
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auto id = fast_feedback::refine::best_cell(indexer.oScoreV());
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// get indexed spots
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using M3x = Eigen::MatrixX3<float>;
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M3x resid = indexer.Spots() * indexer.oCell(id).transpose();
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const M3x miller = round(resid.array());
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resid -= miller;
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auto arr = resid.rowwise().norm().array() < threshold;
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auto indexed_spot_count = arr.count();
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// Check if result is viable
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if (indexed_spot_count > min_spots) {
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IndexingResult result;
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result.l = CrystalLattice(indexer.oCell(id));
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result.indexed_spots.resize(coord.size());
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for (int i = 0; i < arr.size(); i++)
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result.indexed_spots[i] = arr[i];
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result.indexed_spots_count = indexed_spot_count;
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ret.emplace_back(result);
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}
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return ret;
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#else
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return {};
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#endif
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} |