Filip Leonarski
06949caf1a
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This is an UNSTABLE release and not recommended for production use (please use rc.11 instead). * jfjoch_broker: Experimental rotation (3D) indexing * jfjoch_broker: Minor fix to error in optimizer potentially returning NaN values Reviewed-on: #18 Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch> Co-committed-by: Filip Leonarski <filip.leonarski@psi.ch>
39 lines
1.1 KiB
C++
39 lines
1.1 KiB
C++
// SPDX-FileCopyrightText: 2025 Filip Leonarski, Paul Scherrer Institute <filip.leonarski@psi.ch>
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// SPDX-License-Identifier: GPL-3.0-only
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#ifndef JFJOCH_INDEXER_H
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#define JFJOCH_INDEXER_H
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#include <optional>
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#include "../../common/CrystalLattice.h"
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#include "../../common/DiffractionExperiment.h"
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#include "../../common/JFJochMessages.h"
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#include "../../common/SpotToSave.h"
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struct IndexerResult {
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std::vector<CrystalLattice> lattice;
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float indexing_time_s;
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};
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class Indexer {
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protected:
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int64_t viable_cell_min_spots = 9;
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float indexing_tolerance = 0.1;
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float dist_tolerance_vs_reference = 0.05;
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bool index_ice_rings = true;
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DiffractionGeometry geom;
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std::optional<UnitCell> reference_unit_cell;
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virtual void SetupUnitCell(const std::optional<UnitCell>& cell) = 0;
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virtual std::vector<CrystalLattice> RunInternal(const std::vector<Coord> &coord, size_t nspots) = 0;
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public:
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virtual ~Indexer() = default;
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void Setup(const DiffractionExperiment& experiment);
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IndexerResult Run(const std::vector<Coord> &coord);
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};
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#endif //JFJOCH_INDEXER_H
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