// Copyright (2019-2024) Paul Scherrer Institute #include "HDF5DataFilePluginMX.h" void HDF5DataFilePluginMX::SetupSWMRFile(HDF5File &data_file, const DataMessage &msg) { if (max_spots == 0) return; HDF5Group(data_file, "/entry/MX").NXClass("NXcollection"); HDF5DataSpace data_space_spots({1, max_spots}, {H5S_UNLIMITED, max_spots}); HDF5Dcpl dcpl_spots; dcpl_spots.SetChunking({1, max_spots}); HDF5DataSet(data_file, "/entry/MX/peakXPosRaw", HDF5DataType(0.0f), data_space_spots, dcpl_spots); HDF5DataSet(data_file, "/entry/MX/peakYPosRaw", HDF5DataType(0.0f), data_space_spots, dcpl_spots); HDF5DataSet(data_file, "/entry/MX/peakTotalIntensity", HDF5DataType(0.0f), data_space_spots, dcpl_spots); HDF5DataSet(data_file, "/entry/MX/peakIndexed", HDF5DataType(1, false), data_space_spots, dcpl_spots); HDF5DataSpace data_space_linear({2}, {H5S_UNLIMITED}); HDF5Dcpl dcpl_linear; dcpl_linear.SetChunking({1}); HDF5DataSet(data_file, "/entry/MX/nPeaks", HDF5DataType(4, false), data_space_linear, dcpl_linear).SetExtent({1}); HDF5DataSet(data_file, "/entry/MX/strongPixels", HDF5DataType(4, false), data_space_linear, dcpl_linear).SetExtent({1}); HDF5DataSet(data_file, "/entry/MX/imageIndexed", HDF5DataType(1, false), data_space_linear, dcpl_linear).SetExtent({1}); if (msg.resolution_estimation) { res_estimation = true; HDF5DataSet(data_file, "/entry/MX/resolutionEstimation", HDF5DataType(0.0f), data_space_linear, dcpl_linear).SetExtent({1}); } HDF5DataSpace data_space_lattice({1, 9}, {H5S_UNLIMITED, 9}); HDF5Dcpl dcpl_lattice; dcpl_lattice.SetChunking({1, 9}); HDF5DataSet(data_file, "/entry/MX/latticeIndexed", HDF5DataType(0.0f), data_space_lattice, dcpl_lattice); } void HDF5DataFilePluginMX::OpenFile(HDF5File &data_file, const DataMessage &msg) { if (max_spots == 0) return; data_set_spot_x = std::make_unique(data_file, "/entry/MX/peakXPosRaw"); data_set_spot_y = std::make_unique(data_file, "/entry/MX/peakYPosRaw"); data_set_spot_int = std::make_unique(data_file, "/entry/MX/peakTotalIntensity"); data_set_spot_indexed = std::make_unique(data_file, "/entry/MX/peakIndexed"); data_set_spot_npeaks = std::make_unique(data_file, "/entry/MX/nPeaks"); data_set_strong_pixel_count = std::make_unique(data_file, "/entry/MX/strongPixels"); data_set_indexed = std::make_unique(data_file, "/entry/MX/imageIndexed"); data_set_indexed_lattice = std::make_unique(data_file, "/entry/MX/latticeIndexed"); if (res_estimation) data_set_resolution_estimation = std::make_unique(data_file, "/entry/MX/resolutionEstimation"); } void HDF5DataFilePluginMX::Write(const DataMessage &msg) { if (max_spots == 0) return; size_t image_number = msg.number; if (image_number >= max_image_number) { max_image_number = image_number; data_set_spot_x->SetExtent({max_image_number+1, max_spots}); data_set_spot_y->SetExtent({max_image_number+1, max_spots}); data_set_spot_int->SetExtent({max_image_number+1, max_spots}); data_set_spot_indexed->SetExtent({max_image_number+1, max_spots}); data_set_spot_npeaks->SetExtent({max_image_number+1}); data_set_strong_pixel_count->SetExtent({max_image_number + 1}); data_set_indexed->SetExtent({max_image_number + 1}); data_set_indexed_lattice->SetExtent({max_image_number + 1, 9}); if (res_estimation) data_set_resolution_estimation->SetExtent({max_image_number + 1}); } std::vector spot_x(max_spots), spot_y(max_spots), spot_intensity(max_spots); std::vector spot_indexed(max_spots); uint32_t spot_cnt = std::min(msg.spots.size(), max_spots); for (int i = 0; i < spot_cnt; i++) { spot_x[i] = msg.spots[i].x; spot_y[i] = msg.spots[i].y; spot_intensity[i] = msg.spots[i].intensity; spot_indexed[i] = msg.spots[i].indexed; } data_set_spot_x->WriteVec(spot_x, {image_number, 0}, {1, max_spots}); data_set_spot_y->WriteVec(spot_y, {image_number, 0}, {1, max_spots}); data_set_spot_int->WriteVec(spot_intensity, {image_number, 0}, {1, max_spots}); data_set_spot_indexed->WriteVec(spot_indexed, {image_number, 0}, {1, max_spots}); data_set_spot_npeaks->WriteScalar(spot_cnt, {image_number}); data_set_strong_pixel_count->WriteScalar(static_cast(msg.strong_pixel_count), {image_number}); data_set_indexed->WriteScalar((uint8_t) msg.indexing_result, {image_number}); if (msg.indexing_lattice.size() == 9) data_set_indexed_lattice->WriteVec(msg.indexing_lattice, {image_number, 0}, {1, 9}); if (res_estimation) data_set_resolution_estimation->WriteScalar(msg.resolution_estimation.value(), {image_number}); } void HDF5DataFilePluginMX::Flush() { if (max_spots == 0) return; data_set_spot_x->Flush(); data_set_spot_y->Flush(); data_set_spot_int->Flush(); data_set_spot_indexed->Flush(); data_set_spot_npeaks->Flush(); data_set_strong_pixel_count->Flush(); data_set_indexed->Flush(); data_set_indexed_lattice->Flush(); if (res_estimation) data_set_resolution_estimation->Flush(); } HDF5DataFilePluginMX::HDF5DataFilePluginMX(size_t in_max_spots) : max_spots(in_max_spots) { }