Filip Leonarski
2be7780bc4
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75 lines
2.8 KiB
C++
75 lines
2.8 KiB
C++
// SPDX-FileCopyrightText: 2024 Filip Leonarski, Paul Scherrer Institute <filip.leonarski@psi.ch>
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// SPDX-License-Identifier: GPL-3.0-only
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#include "HDF5DataFilePluginReflection.h"
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#include "../include/spdlog/fmt/fmt.h"
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#include "../common/Reflection.h"
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void HDF5DataFilePluginReflection::OpenFile(HDF5File &data_file, const DataMessage &msg, size_t images_per_file) {
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reflection_group = std::make_unique<HDF5Group>(data_file, "/entry/reflections");
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reflection_group->NXClass("NXcollection");
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}
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void HDF5DataFilePluginReflection::Write(const DataMessage &msg, uint64_t image_number) {
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if (!reflection_group || msg.reflections.empty())
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return;
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std::vector<int32_t> h, k, l;
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std::vector<float> I, sigma, d, lp;
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std::vector<float> image, phi, pred_x, pred_y, bkg, partiality, zeta;
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h.reserve(msg.reflections.size());
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k.reserve(msg.reflections.size());
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l.reserve(msg.reflections.size());
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I.reserve(msg.reflections.size());
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sigma.reserve(msg.reflections.size());
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d.reserve(msg.reflections.size());
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pred_x.reserve(msg.reflections.size());
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pred_y.reserve(msg.reflections.size());
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bkg.reserve(msg.reflections.size());
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lp.reserve(msg.reflections.size());
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partiality.reserve(msg.reflections.size());
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image.reserve(msg.reflections.size());
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phi.reserve(msg.reflections.size());
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zeta.reserve(msg.reflections.size());
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for (const auto &refl : msg.reflections) {
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image.emplace_back(refl.image_number);
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h.emplace_back(refl.h);
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k.emplace_back(refl.k);
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l.emplace_back(refl.l);
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I.emplace_back(refl.I);
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sigma.emplace_back(refl.sigma);
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d.emplace_back(refl.d);
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pred_x.emplace_back(refl.predicted_x);
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pred_y.emplace_back(refl.predicted_y);
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bkg.emplace_back(refl.bkg);
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lp.emplace_back(1.0/refl.rlp);
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partiality.emplace_back(refl.partiality);
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phi.emplace_back(refl.delta_phi_deg);
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zeta.emplace_back(refl.zeta);
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}
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std::string image_group_name = fmt::format("image_{:06d}", image_number);
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HDF5Group image_group(*reflection_group, image_group_name);
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image_group.NXClass("NXreflections");
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image_group.SaveVector("h", h);
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image_group.SaveVector("k", k);
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image_group.SaveVector("l", l);
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image_group.SaveVector("d", d)->Units("Angstrom");
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image_group.SaveVector("delta_phi", phi);
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image_group.SaveVector("predicted_x", pred_x);
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image_group.SaveVector("predicted_y", pred_y);
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image_group.SaveVector("int_sum", I);
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image_group.SaveVector("int_err", sigma);
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image_group.SaveVector("background_mean", bkg);
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image_group.SaveVector("observed_frame", image);
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image_group.SaveVector("lp", lp);
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image_group.SaveVector("partiality", partiality);
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image_group.SaveVector("zeta", zeta);
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}
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void HDF5DataFilePluginReflection::WriteFinal(HDF5File &data_file) {
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}
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