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Jungfraujoch/tests/JFJochReaderTest.cpp
Filip Leonarski f44c6520a8
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v1.0.0-rc.107 (#12)
This is an UNSTABLE release.

* jfjoch_viewer: Minor polishing of new functionality
* jfjoch_broker: User NaN for empty azimuthal bins

Reviewed-on: #12
Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
Co-committed-by: Filip Leonarski <filip.leonarski@psi.ch>
2025-11-24 07:07:32 +01:00

1397 lines
52 KiB
C++

// SPDX-FileCopyrightText: 2025 Filip Leonarski, Paul Scherrer Institute <filip.leonarski@psi.ch>
// SPDX-License-Identifier: GPL-3.0-only
#include <catch2/catch_all.hpp>
#include "../common/DiffractionExperiment.h"
#include "../writer/FileWriter.h"
#include "../reader/JFJochHDF5Reader.h"
TEST_CASE("HDF5DataType_Sign","[HDF5]") {
HDF5DataType type_u8((uint8_t)0), type_fl(0.0f), type_i32((int32_t) 0), type_u32((uint32_t) 0);
CHECK(!type_u8.IsSigned());
CHECK(type_fl.IsSigned());
CHECK(type_i32.IsSigned());
CHECK(!type_u32.IsSigned());
}
TEST_CASE("HDF5DataType_ElemSize","[HDF5]") {
HDF5DataType type_u8((uint8_t)0), type_fl(0.0f), type_i32((int32_t) 0), type_u32((uint32_t) 0);
CHECK(type_u8.GetElemSize() == 1);
CHECK(type_fl.GetElemSize() == 4);
CHECK(type_i32.GetElemSize() == 4);
CHECK(type_u32.GetElemSize() == 4);
}
TEST_CASE("HDF5DataType_ElemType","[HDF5]") {
HDF5DataType type_u8((uint8_t)0), type_fl(0.0f), type_i32((int32_t) 0), type_u32((uint32_t) 0);
CHECK(type_u8.IsInteger());
CHECK(!type_fl.IsInteger());
CHECK(type_fl.IsFloat());
CHECK(type_i32.IsInteger());
CHECK(type_u32.IsInteger());
}
TEST_CASE("JFJochReader_MasterFile", "[HDF5][Full]") {
DiffractionExperiment x(DetJF(1));
x.FilePrefix("test08").ImagesPerTrigger(950).OverwriteExistingFiles(true);
x.BeamX_pxl(100).BeamY_pxl(200).DetectorDistance_mm(150)
.IncidentEnergy_keV(WVL_1A_IN_KEV)
.FrameTime(std::chrono::microseconds(500), std::chrono::microseconds(10))
.SetUnitCell(UnitCell{.a= 10, .b= 20, .c= 30, .alpha= 90, .beta= 101, .gamma = 90});
RegisterHDF5Filter();
{
StartMessage start_message;
x.FillMessage(start_message);
EndMessage end_message;
end_message.max_image_number = 0;
std::unique_ptr<NXmx> master = std::make_unique<NXmx>(start_message);
master->Finalize(end_message);
master.reset();
}
{
JFJochHDF5Reader reader;
REQUIRE_NOTHROW(reader.ReadFile("test08_master.h5"));
auto dataset = reader.GetDataset();
CHECK(dataset->experiment.GetBeamX_pxl() == Catch::Approx(x.GetBeamX_pxl()));
CHECK(dataset->experiment.GetBeamY_pxl() == Catch::Approx(x.GetBeamY_pxl()));
CHECK(dataset->experiment.GetDetectorDistance_mm() == Catch::Approx(x.GetDetectorDistance_mm()));
CHECK(dataset->experiment.GetFrameTime() == x.GetFrameTime());
CHECK(dataset->experiment.GetFrameCountTime() == x.GetFrameCountTime());
CHECK(dataset->experiment.GetWavelength_A() == Catch::Approx(x.GetWavelength_A()));
CHECK(dataset->experiment.GetImageNum() == 0);
REQUIRE(dataset->experiment.GetUnitCell().has_value());
CHECK(dataset->experiment.GetUnitCell()->b == 20.0);
CHECK(dataset->experiment.GetUnitCell()->beta == 101.0);
CHECK(dataset->calibration_data.empty());
}
remove("test08_master.h5");
REQUIRE(H5Fget_obj_count(H5F_OBJ_ALL, H5F_OBJ_ALL) == 0);
}
TEST_CASE("JFJochReader_MasterFile_Calibration", "[HDF5][Full]") {
DiffractionExperiment x(DetJF(1));
x.FilePrefix("test_reader_calibration").ImagesPerTrigger(1).OverwriteExistingFiles(true);
RegisterHDF5Filter();
std::vector<uint16_t> calib_1(200*300, 10);
std::vector<int32_t> calib_2(100*400, 55);
std::vector<float> calib_f(100*400, 1234.56f);
{
StartMessage start_message;
x.FillMessage(start_message);
CompressedImage calibration_01(calib_1, 200, 300);
CompressedImage calibration_02(calib_2, 100, 400);
CompressedImage calibration_f(calib_f, 100, 400);
calibration_01.Channel("c1");
calibration_02.Channel("c2");
calibration_f.Channel("cf");
EndMessage end_message;
end_message.max_image_number = 0;
std::unique_ptr<NXmx> master = std::make_unique<NXmx>(start_message);
master->WriteCalibration(calibration_01);
master->WriteCalibration(calibration_02);
master->WriteCalibration(calibration_f);
master->Finalize(end_message);
master.reset();
}
{
JFJochHDF5Reader reader;
REQUIRE_NOTHROW(reader.ReadFile("test_reader_calibration_master.h5"));
auto dataset = reader.GetDataset();
REQUIRE(dataset->calibration_data.size() == 3);
CHECK(dataset->calibration_data[0] == "c1");
CHECK(dataset->calibration_data[1] == "c2");
CHECK(dataset->calibration_data[2] == "cf");
std::vector<uint8_t> buffer;
std::vector<uint8_t> buff_2;
REQUIRE_THROWS(reader.ReadCalibration(buffer, "c3"));
CompressedImage test;
REQUIRE_NOTHROW(test = reader.ReadCalibration(buffer, "c1"));
CHECK(test.GetByteDepth() == 2);
CHECK(test.GetHeight() == 200);
CHECK(test.GetWidth() == 300);
CHECK(test.GetMode() == CompressedImageMode::Uint16);
CHECK(reinterpret_cast<const uint16_t *>(test.GetUncompressedPtr(buff_2))[76] == 10);
REQUIRE_NOTHROW(test = reader.ReadCalibration(buffer, "c2"));
CHECK(test.GetByteDepth() == 4);
CHECK(test.GetHeight() == 100);
CHECK(test.GetWidth() == 400);
CHECK(test.GetMode() == CompressedImageMode::Int32);
CHECK(reinterpret_cast<const int32_t *>(test.GetUncompressedPtr(buff_2))[76] == 55);
REQUIRE_NOTHROW(test = reader.ReadCalibration(buffer, "cf"));
CHECK(test.GetByteDepth() == 4);
CHECK(test.GetHeight() == 100);
CHECK(test.GetWidth() == 400);
CHECK(test.GetMode() == CompressedImageMode::Float32);
CHECK(reinterpret_cast<const float *>(test.GetUncompressedPtr(buff_2))[76] == Catch::Approx(1234.56f));
}
remove("test_reader_calibration_master.h5");
REQUIRE(H5Fget_obj_count(H5F_OBJ_ALL, H5F_OBJ_ALL) == 0);
}
TEST_CASE("JFJochReader_DefaultExperiment", "[HDF5][Full]") {
DiffractionExperiment x(DetJF(1));
x.FilePrefix("test_def").OverwriteExistingFiles(true);
RegisterHDF5Filter();
{
StartMessage start_message;
x.FillMessage(start_message);
EndMessage end_message;
end_message.max_image_number = 0;
std::unique_ptr<NXmx> master = std::make_unique<NXmx>(start_message);
master->Finalize(end_message);
master.reset();
}
{
JFJochHDF5Reader reader;
DiffractionExperiment x1;
IndexingSettings is;
is.FFT_NumVectors(1024);
x1.ImportIndexingSettings(is);
reader.Experiment(x1);
REQUIRE_NOTHROW(reader.ReadFile("test_def_master.h5"));
auto dataset = reader.GetDataset();
REQUIRE(x1.GetIndexingSettings().GetFFT_NumVectors() == 1024);
}
remove("test_def_master.h5");
REQUIRE(H5Fget_obj_count(H5F_OBJ_ALL, H5F_OBJ_ALL) == 0);
}
TEST_CASE("JFJochReader_PixelMask", "[HDF5][Full]") {
DiffractionExperiment x(DetJF(1));
x.FilePrefix("test16").ImagesPerTrigger(950).OverwriteExistingFiles(true);
x.BeamX_pxl(100).BeamY_pxl(200).DetectorDistance_mm(150)
.IncidentEnergy_keV(WVL_1A_IN_KEV).PixelSigned(false).BitDepthImage(16)
.FrameTime(std::chrono::microseconds(500), std::chrono::microseconds(10));
RegisterHDF5Filter();
std::vector<uint32_t> pixel_mask(x.GetPixelsNum(), 0);
pixel_mask[5767] = 1;
pixel_mask[x.GetPixelsNum() - 1] = 4;
pixel_mask[0] = 256;
std::vector<uint16_t> image(x.GetPixelsNum(), 0);
{
StartMessage start_message;
x.FillMessage(start_message);
start_message.pixel_mask["default"] = pixel_mask;
FileWriter file_set(start_message);
DataMessage message{};
message.image = CompressedImage(image, x.GetXPixelsNum(), x.GetYPixelsNum());
message.number = 0;
REQUIRE_NOTHROW(file_set.WriteHDF5(message));
EndMessage end_message;
end_message.max_image_number = 1;
file_set.WriteHDF5(end_message);
file_set.Finalize();
}
{
JFJochHDF5Reader reader;
reader.ReadFile("test16_master.h5");
auto dataset = reader.GetDataset();
REQUIRE(dataset->pixel_mask.GetMask().size() == x.GetPixelsNum());
CHECK(dataset->pixel_mask.GetMask() == pixel_mask);
std::shared_ptr<JFJochReaderImage> reader_image;
REQUIRE_NOTHROW(reader_image = reader.LoadImage(0));
REQUIRE(reader_image);
CHECK(reader_image->Image().at(5767) == GAP_PXL_VALUE);
CHECK(reader_image->Image().at(0) == ERROR_PXL_VALUE);
CHECK(reader_image->Image().at(1) == 0);
CHECK(reader_image->Image().at(2) == 0);
CHECK(reader_image->Image().at(x.GetPixelsNum() - 1) == ERROR_PXL_VALUE);
}
remove("test16_master.h5");
REQUIRE(H5Fget_obj_count(H5F_OBJ_ALL, H5F_OBJ_ALL) == 0);
}
TEST_CASE("JFJochReader_Goniometer", "[HDF5][Full]") {
DiffractionExperiment x(DetJF(1));
x.FilePrefix("test17").ImagesPerTrigger(950).OverwriteExistingFiles(true);
x.BeamX_pxl(100).BeamY_pxl(200).DetectorDistance_mm(150)
.IncidentEnergy_keV(WVL_1A_IN_KEV).PixelSigned(false).BitDepthImage(16)
.FrameTime(std::chrono::microseconds(500), std::chrono::microseconds(10));
x.Goniometer(GoniometerAxis("omega", 95, 0.1f, Coord(0,-1,0),{}));
RegisterHDF5Filter();
std::vector<uint16_t> image(x.GetPixelsNum(), 0);
{
StartMessage start_message;
x.FillMessage(start_message);
FileWriter file_set(start_message);
DataMessage message{};
for (int i = 0; i < 5; i++) {
message.image = CompressedImage(image, x.GetXPixelsNum(), x.GetYPixelsNum());
message.number = 0;
REQUIRE_NOTHROW(file_set.WriteHDF5(message));
}
EndMessage end_message;
end_message.max_image_number = 4;
file_set.WriteHDF5(end_message);
file_set.Finalize();
}
{
JFJochHDF5Reader reader;
reader.ReadFile("test17_master.h5");
auto dataset = reader.GetDataset();
REQUIRE(!dataset->experiment.GetGridScan().has_value());
REQUIRE(dataset->experiment.GetGoniometer().has_value());
CHECK(dataset->experiment.GetGoniometer()->GetStart_deg() == 95.0);
CHECK(fabsf(dataset->experiment.GetGoniometer()->GetIncrement_deg() - 0.1f) < 0.00001f);
CHECK(dataset->experiment.GetGoniometer()->GetName() == "omega");
CHECK(dataset->experiment.GetGoniometer()->GetAxis().x == 0);
CHECK(dataset->experiment.GetGoniometer()->GetAxis().y == -1);
CHECK(dataset->experiment.GetGoniometer()->GetAxis().z == 0);
}
remove("test17_master.h5");
REQUIRE(H5Fget_obj_count(H5F_OBJ_ALL, H5F_OBJ_ALL) == 0);
}
TEST_CASE("JFJochReader_GridScan", "[HDF5][Full]") {
DiffractionExperiment x(DetJF(1));
x.PixelSigned(false).BitDepthImage(16).OverwriteExistingFiles(true);
x.FrameTime(std::chrono::microseconds(500), std::chrono::microseconds(10));
DatasetSettings d;
d.FilePrefix("test_reader_grid_scan").ImagesPerTrigger(5);
d.BeamX_pxl(100).BeamY_pxl(200).DetectorDistance_mm(150)
.PhotonEnergy_keV(WVL_1A_IN_KEV)
.GridScan(GridScanSettings(3, -7.5, 8.0, true, true));
x.ImportDatasetSettings(d);
RegisterHDF5Filter();
std::vector<uint16_t> image(x.GetPixelsNum(), 0);
{
StartMessage start_message;
x.FillMessage(start_message);
FileWriter file_set(start_message);
DataMessage message{};
for (int i = 0; i < 5; i++) {
message.image = CompressedImage(image, x.GetXPixelsNum(), x.GetYPixelsNum());
message.number = i;
REQUIRE_NOTHROW(file_set.WriteHDF5(message));
}
EndMessage end_message;
end_message.max_image_number = 4;
file_set.WriteHDF5(end_message);
file_set.Finalize();
}
{
JFJochHDF5Reader reader;
reader.ReadFile("test_reader_grid_scan_master.h5");
auto dataset = reader.GetDataset();
REQUIRE(!dataset->experiment.GetGoniometer().has_value());
REQUIRE(dataset->experiment.GetGridScan().has_value());
CHECK(dataset->experiment.GetGridScan()->IsSnakeScan());
CHECK(dataset->experiment.GetGridScan()->IsVerticalScan());
CHECK(dataset->experiment.GetGridScan()->GetNFast() == 3);
CHECK(dataset->experiment.GetGridScan()->GetNSlow() == 2);
CHECK(dataset->experiment.GetGridScan()->GetNElem() == 6);
CHECK(dataset->experiment.GetGridScan()->GetGridStepX_um() == Catch::Approx(-7.5));
CHECK(dataset->experiment.GetGridScan()->GetGridStepY_um() == Catch::Approx(8.0));
}
remove("test_reader_grid_scan_master.h5");
REQUIRE(H5Fget_obj_count(H5F_OBJ_ALL, H5F_OBJ_ALL) == 0);
}
TEST_CASE("JFJochReader_DataI16", "[HDF5][Full]") {
DiffractionExperiment x(DetJF(1));
x.FilePrefix("test09").ImagesPerTrigger(4).OverwriteExistingFiles(true);
x.BitDepthImage(16).ImagesPerFile(1).SetFileWriterFormat(FileWriterFormat::NXmxVDS).PixelSigned(true)
.IndexingAlgorithm(IndexingAlgorithmEnum::FFT);
x.Compression(CompressionAlgorithm::NO_COMPRESSION);
std::vector<int16_t> image(x.GetPixelsNum());
image[0] = INT16_MAX;
image[1] = INT16_MIN;
image[2] = 456;
image[3] = -3456;
RegisterHDF5Filter();
{
StartMessage start_message;
x.FillMessage(start_message);
FileWriter file_set(start_message);
for (int i = 0; i < x.GetImageNum(); i++) {
std::vector<SpotToSave> spots;
image[5678] = i;
DataMessage message{};
message.image = CompressedImage(image, x.GetXPixelsNum(), x.GetYPixelsNum());
message.spots = spots;
message.indexing_result = (i % 2 == 0);
message.bkg_estimate = i * 345.6;
message.number = i;
message.profile_radius = 123.09;
REQUIRE_NOTHROW(file_set.WriteHDF5(message));
}
EndMessage end_message;
end_message.max_image_number = x.GetImageNum();
file_set.WriteHDF5(end_message);
file_set.Finalize();
}
{
JFJochHDF5Reader reader;
REQUIRE_NOTHROW(reader.ReadFile("test09_master.h5"));
auto dataset = reader.GetDataset();
CHECK(dataset->experiment.GetImageNum() == 4);
REQUIRE(dataset->spot_count.size() == 4);
REQUIRE(dataset->bkg_estimate.size() == 4);
REQUIRE(dataset->profile_radius.size() == 4);
REQUIRE_THROWS(reader.LoadImage(4));
std::shared_ptr<JFJochReaderImage> reader_image;
for (int i = 0; i < 4; i++) {
REQUIRE_NOTHROW(reader_image = reader.LoadImage(i));
REQUIRE(reader_image);
CHECK(reader_image->Image()[0] == SATURATED_PXL_VALUE);
CHECK(reader_image->Image()[1] == ERROR_PXL_VALUE);
CHECK(reader_image->Image()[2] == image[2]);
CHECK(reader_image->Image()[3] == image[3]);
CHECK(reader_image->Image()[5678] == i);
CHECK(dataset->indexing_result[i] == (i % 2 == 0));
CHECK(dataset->bkg_estimate[i] == Catch::Approx(i * 345.6));
CHECK(dataset->profile_radius[i] == Catch::Approx(123.09));
}
}
remove("test09_master.h5");
remove("test09_data_000001.h5");
remove("test09_data_000002.h5");
remove("test09_data_000003.h5");
remove("test09_data_000004.h5");
// No leftover HDF5 objects
REQUIRE(H5Fget_obj_count(H5F_OBJ_ALL, H5F_OBJ_ALL) == 0);
}
TEST_CASE("JFJochReader_DataI16_OldMasterFormat", "[HDF5][Full]") {
DiffractionExperiment x(DetJF(1));
x.FilePrefix("test15").ImagesPerTrigger(4).OverwriteExistingFiles(true);
x.BitDepthImage(16).ImagesPerFile(1).SetFileWriterFormat(FileWriterFormat::NXmxLegacy).PixelSigned(true)
.IndexingAlgorithm(IndexingAlgorithmEnum::FFT);
x.Compression(CompressionAlgorithm::NO_COMPRESSION);
std::vector<int16_t> image(x.GetPixelsNum());
image[0] = INT16_MAX;
image[1] = INT16_MIN;
image[2] = 456;
image[3] = -3456;
RegisterHDF5Filter();
{
StartMessage start_message;
x.FillMessage(start_message);
FileWriter file_set(start_message);
for (int i = 0; i < x.GetImageNum(); i++) {
std::vector<SpotToSave> spots;
image[5678] = i;
DataMessage message{};
message.image = CompressedImage(image, x.GetXPixelsNum(), x.GetYPixelsNum());
message.spots = spots;
message.indexing_result = (i % 2 == 0);
message.bkg_estimate = i * 345.6;
message.number = i;
message.profile_radius = 1.64;
REQUIRE_NOTHROW(file_set.WriteHDF5(message));
}
EndMessage end_message;
end_message.max_image_number = x.GetImageNum();
file_set.WriteHDF5(end_message);
file_set.Finalize();
}
{
JFJochHDF5Reader reader;
REQUIRE_NOTHROW(reader.ReadFile("test15_master.h5"));
auto dataset = reader.GetDataset();
CHECK(dataset->experiment.GetImageNum() == 4);
REQUIRE(dataset->spot_count.size() == 4);
REQUIRE(dataset->bkg_estimate.size() == 4);
REQUIRE(dataset->profile_radius.size() == 4);
REQUIRE_THROWS(reader.LoadImage(4));
std::shared_ptr<JFJochReaderImage> reader_image;
for (int i = 0; i < 4; i++) {
REQUIRE_NOTHROW(reader_image = reader.LoadImage(i));
REQUIRE(reader_image);
CHECK(reader_image->Image()[0] == SATURATED_PXL_VALUE);
CHECK(reader_image->Image()[1] == ERROR_PXL_VALUE);
CHECK(reader_image->Image()[2] == image[2]);
CHECK(reader_image->Image()[3] == image[3]);
CHECK(reader_image->Image()[5678] == i);
CHECK(dataset->profile_radius[i] == Catch::Approx(1.64));
CHECK(dataset->indexing_result[i] == (i % 2 == 0));
CHECK(dataset->bkg_estimate[i] == Catch::Approx(i * 345.6));
}
}
remove("test15_master.h5");
remove("test15_data_000001.h5");
remove("test15_data_000002.h5");
remove("test15_data_000003.h5");
remove("test15_data_000004.h5");
// No leftover HDF5 objects
REQUIRE(H5Fget_obj_count(H5F_OBJ_ALL, H5F_OBJ_ALL) == 0);
}
TEST_CASE("JFJochReader_DataU16", "[HDF5][Full]") {
DiffractionExperiment x(DetJF(1));
x.FilePrefix("test10").ImagesPerTrigger(4).OverwriteExistingFiles(true);
x.BitDepthImage(16).ImagesPerFile(1).SetFileWriterFormat(FileWriterFormat::NXmxVDS).PixelSigned(false)
.IndexingAlgorithm(IndexingAlgorithmEnum::FFT);
x.Compression(CompressionAlgorithm::NO_COMPRESSION);
std::vector<uint16_t> image(x.GetPixelsNum());
image[0] = UINT16_MAX;
image[1] = INT16_MAX;
image[2] = 456;
RegisterHDF5Filter();
{
StartMessage start_message;
x.FillMessage(start_message);
FileWriter file_set(start_message);
for (int i = 0; i < x.GetImageNum(); i++) {
std::vector<SpotToSave> spots;
image[5678] = i;
DataMessage message{};
message.image = CompressedImage(image, x.GetXPixelsNum(), x.GetYPixelsNum());
message.spots = spots;
message.indexing_result = (i % 2 == 0);
message.bkg_estimate = i * 345.6;
message.number = i;
REQUIRE_NOTHROW(file_set.WriteHDF5(message));
}
EndMessage end_message;
end_message.max_image_number = x.GetImageNum();
file_set.WriteHDF5(end_message);
file_set.Finalize();
}
{
JFJochHDF5Reader reader;
REQUIRE_NOTHROW(reader.ReadFile("test10_master.h5"));
auto dataset = reader.GetDataset();
CHECK(dataset->experiment.GetImageNum() == 4);
REQUIRE_THROWS(reader.LoadImage(4));
std::shared_ptr<JFJochReaderImage> reader_image;
for (int i = 0; i < 4; i++) {
REQUIRE_NOTHROW(reader_image = reader.LoadImage(i));
REQUIRE(reader_image);
CHECK(reader_image->Image()[0] == SATURATED_PXL_VALUE);
CHECK(reader_image->Image()[1] == INT16_MAX);
CHECK(reader_image->Image()[2] == 456);
CHECK(reader_image->Image()[5678] == i);
CHECK(dataset->indexing_result[i] == (i % 2 == 0));
CHECK(dataset->bkg_estimate[i] == Catch::Approx(i * 345.6));
}
}
remove("test10_master.h5");
remove("test10_data_000001.h5");
remove("test10_data_000002.h5");
remove("test10_data_000003.h5");
remove("test10_data_000004.h5");
// No leftover HDF5 objects
REQUIRE(H5Fget_obj_count(H5F_OBJ_ALL, H5F_OBJ_ALL) == 0);
}
TEST_CASE("JFJochReader_DataI32", "[HDF5][Full]") {
DiffractionExperiment x(DetJF(1));
x.FilePrefix("test11").ImagesPerTrigger(4).OverwriteExistingFiles(true);
x.BitDepthImage(32).ImagesPerFile(1).SetFileWriterFormat(FileWriterFormat::NXmxVDS).PixelSigned(true);
x.Compression(CompressionAlgorithm::NO_COMPRESSION);
std::vector<int32_t> image(x.GetPixelsNum());
image[0] = INT32_MAX;
image[1] = INT32_MIN;
image[2] = 456;
RegisterHDF5Filter();
{
StartMessage start_message;
x.FillMessage(start_message);
FileWriter file_set(start_message);
for (int i = 0; i < x.GetImageNum(); i++) {
std::vector<SpotToSave> spots;
image[5678] = i;
DataMessage message{};
message.image = CompressedImage(image, x.GetXPixelsNum(), x.GetYPixelsNum());
message.spots = spots;
message.number = i;
REQUIRE_NOTHROW(file_set.WriteHDF5(message));
}
EndMessage end_message;
end_message.max_image_number = x.GetImageNum();
file_set.WriteHDF5(end_message);
file_set.Finalize();
}
{
JFJochHDF5Reader reader;
REQUIRE_NOTHROW(reader.ReadFile("test11_master.h5"));
auto dataset = reader.GetDataset();
CHECK(dataset->experiment.GetImageNum() == 4);
REQUIRE_THROWS(reader.LoadImage(4));
std::shared_ptr<JFJochReaderImage> reader_image;
for (int i = 0; i < 4; i++) {
REQUIRE_NOTHROW(reader_image = reader.LoadImage(i));
REQUIRE(reader_image);
CHECK(reader_image->Image()[0] == SATURATED_PXL_VALUE);
CHECK(reader_image->Image()[1] == ERROR_PXL_VALUE);
CHECK(reader_image->Image()[2] == 456);
CHECK(reader_image->Image()[5678] == i);
}
}
remove("test11_master.h5");
remove("test11_data_000001.h5");
remove("test11_data_000002.h5");
remove("test11_data_000003.h5");
remove("test11_data_000004.h5");
// No leftover HDF5 objects
REQUIRE(H5Fget_obj_count(H5F_OBJ_ALL, H5F_OBJ_ALL) == 0);
}
TEST_CASE("JFJochReader_DataU32", "[HDF5][Full]") {
DiffractionExperiment x(DetJF(1));
x.FilePrefix("test12").ImagesPerTrigger(4).OverwriteExistingFiles(true);
x.BitDepthImage(32).ImagesPerFile(1).SetFileWriterFormat(FileWriterFormat::NXmxVDS).PixelSigned(false);
x.Compression(CompressionAlgorithm::NO_COMPRESSION);
std::vector<uint32_t> image(x.GetPixelsNum());
image[0] = UINT32_MAX;
image[1] = static_cast<uint32_t>(INT32_MAX) + 50;
image[2] = 456;
image[3] = INT32_MAX;
image[4] = INT32_MAX - 1;
RegisterHDF5Filter();
{
StartMessage start_message;
x.FillMessage(start_message);
FileWriter file_set(start_message);
for (int i = 0; i < x.GetImageNum(); i++) {
std::vector<SpotToSave> spots;
image[5678] = i;
DataMessage message{};
message.image = CompressedImage(image, x.GetXPixelsNum(), x.GetYPixelsNum());
message.spots = spots;
message.number = i;
REQUIRE_NOTHROW(file_set.WriteHDF5(message));
}
EndMessage end_message;
end_message.max_image_number = x.GetImageNum();
file_set.WriteHDF5(end_message);
file_set.Finalize();
}
{
JFJochHDF5Reader reader;
REQUIRE_NOTHROW(reader.ReadFile("test12_master.h5"));
auto dataset = reader.GetDataset();
CHECK(dataset->experiment.GetImageNum() == 4);
REQUIRE_THROWS(reader.LoadImage(4));
std::shared_ptr<JFJochReaderImage> reader_image;
for (int i = 0; i < 4; i++) {
REQUIRE_NOTHROW(reader_image = reader.LoadImage(i));
REQUIRE(reader_image);
CHECK(reader_image->Image()[0] == INT32_MAX);
CHECK(reader_image->Image()[1] == INT32_MAX);
CHECK(reader_image->Image()[2] == 456);
CHECK(reader_image->Image()[3] == INT32_MAX);
CHECK(reader_image->Image()[4] == INT32_MAX - 1);
CHECK(reader_image->Image()[5678] == i);
}
}
remove("test12_master.h5");
remove("test12_data_000001.h5");
remove("test12_data_000002.h5");
remove("test12_data_000003.h5");
remove("test12_data_000004.h5");
// No leftover HDF5 objects
REQUIRE(H5Fget_obj_count(H5F_OBJ_ALL, H5F_OBJ_ALL) == 0);
}
TEST_CASE("JFJochReader_Summation", "[HDF5][Full]") {
DiffractionExperiment x(DetJF(1));
x.FilePrefix("test30").ImagesPerTrigger(3).OverwriteExistingFiles(true);
x.BitDepthImage(16).ImagesPerFile(3).SetFileWriterFormat(FileWriterFormat::NXmxVDS)
.PixelSigned(true);
x.Compression(CompressionAlgorithm::NO_COMPRESSION);
std::vector<int16_t> image_1(x.GetPixelsNum(),1);
std::vector<int16_t> image_2(x.GetPixelsNum(),2);
std::vector<int16_t> image_3(x.GetPixelsNum(),3);
image_3[0] = INT16_MAX;
image_2[1] = INT16_MIN;
RegisterHDF5Filter();
{
StartMessage start_message;
x.FillMessage(start_message);
FileWriter file_set(start_message);
std::vector<SpotToSave> spots;
DataMessage message{};
message.spots = spots;
message.image = CompressedImage(image_1, x.GetXPixelsNum(), x.GetYPixelsNum());
message.number = 0;
REQUIRE_NOTHROW(file_set.WriteHDF5(message));
message.image = CompressedImage(image_2, x.GetXPixelsNum(), x.GetYPixelsNum());
message.number = 1;
REQUIRE_NOTHROW(file_set.WriteHDF5(message));
message.image = CompressedImage(image_3, x.GetXPixelsNum(), x.GetYPixelsNum());
message.number = 2;
REQUIRE_NOTHROW(file_set.WriteHDF5(message));
EndMessage end_message;
end_message.max_image_number = x.GetImageNum();
file_set.WriteHDF5(end_message);
file_set.Finalize();
}
{
JFJochHDF5Reader reader;
REQUIRE_NOTHROW(reader.ReadFile("test30_master.h5"));
auto dataset = reader.GetDataset();
CHECK(dataset->experiment.GetImageNum() == 3);
std::shared_ptr<JFJochReaderImage> reader_image;
REQUIRE_NOTHROW(reader_image = reader.LoadImage(0, 3));
REQUIRE(reader_image);
CHECK(reader_image->Image()[0] == SATURATED_PXL_VALUE);
CHECK(reader_image->Image()[1] == ERROR_PXL_VALUE);
CHECK(reader_image->Image()[2] == 1 + 2 +3);
CHECK(reader_image->Image()[5678] == 1 + 2 +3);
CHECK(reader_image->Image()[x.GetPixelsNum() - 1] == 1 + 2 +3);
REQUIRE_THROWS(reader.LoadImage(1, 3));
}
remove("test30_master.h5");
remove("test30_data_000001.h5");
REQUIRE(H5Fget_obj_count(H5F_OBJ_ALL, H5F_OBJ_ALL) == 0);
}
TEST_CASE("JFJochReader_Summation_5", "[HDF5][Full]") {
DiffractionExperiment x(DetJF(1));
x.FilePrefix("test31").ImagesPerTrigger(5).OverwriteExistingFiles(true);
x.BitDepthImage(16).ImagesPerFile(5).SetFileWriterFormat(FileWriterFormat::NXmxVDS)
.PixelSigned(true);
x.Compression(CompressionAlgorithm::NO_COMPRESSION);
std::vector<int16_t> image_1(x.GetPixelsNum(),1);
std::vector<int16_t> image_2(x.GetPixelsNum(),2);
std::vector<int16_t> image_3(x.GetPixelsNum(),3);
std::vector<int16_t> image_4(x.GetPixelsNum(),4);
std::vector<int16_t> image_5(x.GetPixelsNum(),5);
image_3[0] = INT16_MAX;
image_2[1] = INT16_MIN;
RegisterHDF5Filter();
{
StartMessage start_message;
x.FillMessage(start_message);
FileWriter file_set(start_message);
std::vector<SpotToSave> spots;
DataMessage message{};
message.spots = spots;
message.image = CompressedImage(image_1, x.GetXPixelsNum(), x.GetYPixelsNum());
message.number = 0;
REQUIRE_NOTHROW(file_set.WriteHDF5(message));
message.image = CompressedImage(image_2, x.GetXPixelsNum(), x.GetYPixelsNum());
message.number = 1;
REQUIRE_NOTHROW(file_set.WriteHDF5(message));
message.image = CompressedImage(image_3, x.GetXPixelsNum(), x.GetYPixelsNum());
message.number = 2;
REQUIRE_NOTHROW(file_set.WriteHDF5(message));
message.image = CompressedImage(image_4, x.GetXPixelsNum(), x.GetYPixelsNum());
message.number = 3;
REQUIRE_NOTHROW(file_set.WriteHDF5(message));
message.image = CompressedImage(image_5, x.GetXPixelsNum(), x.GetYPixelsNum());
message.number = 4;
REQUIRE_NOTHROW(file_set.WriteHDF5(message));
EndMessage end_message;
end_message.max_image_number = x.GetImageNum();
file_set.WriteHDF5(end_message);
file_set.Finalize();
}
{
JFJochHDF5Reader reader;
REQUIRE_NOTHROW(reader.ReadFile("test31_master.h5"));
auto dataset = reader.GetDataset();
CHECK(dataset->experiment.GetImageNum() == 5);
std::shared_ptr<JFJochReaderImage> reader_image;
REQUIRE_NOTHROW(reader_image = reader.LoadImage(0, 5));
REQUIRE(reader_image);
CHECK(reader_image->Image()[0] == SATURATED_PXL_VALUE);
CHECK(reader_image->Image()[1] == ERROR_PXL_VALUE);
CHECK(reader_image->Image()[2] == 1 + 2 + 3 + 4 + 5);
CHECK(reader_image->Image()[5678] == 1 + 2 + 3 + 4 + 5);
CHECK(reader_image->Image()[x.GetPixelsNum() - 1] == 1 + 2 + 3 + 4 + 5);
REQUIRE_THROWS(reader.LoadImage(1, 6));
}
remove("test31_master.h5");
remove("test31_data_000001.h5");
REQUIRE(H5Fget_obj_count(H5F_OBJ_ALL, H5F_OBJ_ALL) == 0);
}
TEST_CASE("JFJochReader_ROI", "[HDF5][Full]") {
DiffractionExperiment x(DetJF(1));
x.FilePrefix("test25").ImagesPerTrigger(4).OverwriteExistingFiles(true);
x.BitDepthImage(16).ImagesPerFile(1).SetFileWriterFormat(FileWriterFormat::NXmxVDS).PixelSigned(false);
x.Compression(CompressionAlgorithm::NO_COMPRESSION);
x.ROI().SetROI(ROIDefinition{
.boxes = {ROIBox("beam", 100, 120, 20, 30)},
.circles = {ROICircle("roi1", 500, 800, 10)}
});
std::vector<uint16_t> image(x.GetPixelsNum());
RegisterHDF5Filter();
{
StartMessage start_message;
x.FillMessage(start_message);
FileWriter file_set(start_message);
for (int i = 0; i < x.GetImageNum(); i++) {
std::vector<SpotToSave> spots;
DataMessage message{};
message.image = CompressedImage(image, x.GetXPixelsNum(), x.GetYPixelsNum());
message.spots = spots;
message.number = i;
message.roi["beam"] = ROIMessage{
.sum = 12 + i,
.sum_square = (uint64_t) 123 * i,
.max_count = 123 - i,
.pixels = (uint64_t) 189 + i
};
message.roi["roi1"] = ROIMessage{
.sum = 25 + i,
.sum_square = (uint64_t) 15 * i,
.max_count = 67 - i,
.pixels = (uint64_t) 95 + i
};
REQUIRE_NOTHROW(file_set.WriteHDF5(message));
}
EndMessage end_message;
end_message.max_image_number = x.GetImageNum();
file_set.WriteHDF5(end_message);
file_set.Finalize();
}
{
JFJochHDF5Reader reader;
REQUIRE_NOTHROW(reader.ReadFile("test25_master.h5"));
auto dataset = reader.GetDataset();
CHECK(dataset->experiment.GetImageNum() == 4);
CHECK(dataset->roi.size() == 2);
REQUIRE(dataset->roi_max.size() == 2);
int index = 0;
if (dataset->roi[1] == "beam")
index = 1;
REQUIRE(dataset->roi_max[index].size() == 4);
CHECK(dataset->roi_max[index][2] == 123 - 2);
CHECK(dataset->roi_sum_sq[index][0] == 0);
CHECK(dataset->roi_sum_sq[index][1] == 123);
CHECK(dataset->roi_npixel[index][3] == 189 + 3);
CHECK(dataset->roi_sum[1 - index][3] == 25 + 3);
}
remove("test25_master.h5");
remove("test25_data_000001.h5");
remove("test25_data_000002.h5");
remove("test25_data_000003.h5");
remove("test25_data_000004.h5");
// No leftover HDF5 objects
REQUIRE(H5Fget_obj_count(H5F_OBJ_ALL, H5F_OBJ_ALL) == 0);
}
TEST_CASE("JFJochReader_Azint", "[HDF5][Full]") {
DiffractionExperiment x(DetJF(1));
x.FilePrefix("test27").ImagesPerTrigger(4).OverwriteExistingFiles(true);
x.BitDepthImage(16).ImagesPerFile(1).SetFileWriterFormat(FileWriterFormat::NXmxVDS).PixelSigned(false);
x.Compression(CompressionAlgorithm::NO_COMPRESSION);
AzimuthalIntegrationSettings azint_settings;
azint_settings.AzimuthalBinCount(4);
x.ImportAzimuthalIntegrationSettings(azint_settings);
std::vector<uint16_t> image(x.GetPixelsNum());
AzimuthalIntegration azint(x, PixelMask(x));
RegisterHDF5Filter();
{
StartMessage start_message;
x.FillMessage(start_message);
start_message.az_int_bin_to_q = azint.GetBinToQ();
start_message.az_int_bin_to_phi = azint.GetBinToPhi();
start_message.az_int_q_bin_count = azint.GetQBinCount();
start_message.az_int_phi_bin_count = azint.GetAzimuthalBinCount();
FileWriter file_set(start_message);
for (int i = 0; i < x.GetImageNum(); i++) {
std::vector<SpotToSave> spots;
DataMessage message{};
message.image = CompressedImage(image, x.GetXPixelsNum(), x.GetYPixelsNum());
message.spots = spots;
message.number = i;
message.az_int_profile = std::vector<float>(azint_settings.GetBinCount(), 57);
REQUIRE_NOTHROW(file_set.WriteHDF5(message));
}
EndMessage end_message;
end_message.max_image_number = x.GetImageNum();
file_set.WriteHDF5(end_message);
file_set.Finalize();
}
{
JFJochHDF5Reader reader;
REQUIRE_NOTHROW(reader.ReadFile("test27_master.h5"));
auto dataset = reader.GetDataset();
CHECK(dataset->experiment.GetImageNum() == 4);
std::shared_ptr<JFJochReaderImage> reader_image;
REQUIRE_NOTHROW(reader_image = reader.LoadImage(0));
REQUIRE(reader_image);
CHECK(reader_image->Dataset().az_int_bin_to_q.size() == azint_settings.GetBinCount());
CHECK(reader_image->Dataset().azimuthal_bins == azint_settings.GetAzimuthalBinCount());
CHECK(reader_image->Dataset().q_bins == azint_settings.GetQBinCount());
REQUIRE(reader_image->ImageData().az_int_profile.size() == azint_settings.GetBinCount());
CHECK(reader_image->ImageData().az_int_profile[23] == 57);
CHECK(reader_image->GetAzInt1D_BinToQ().size() == azint_settings.GetQBinCount());
REQUIRE(reader_image->GetAzInt1D().size() == azint_settings.GetQBinCount());
CHECK(reader_image->GetAzInt1D()[23] == 4 * 57);
}
remove("test27_master.h5");
remove("test27_data_000001.h5");
remove("test27_data_000002.h5");
remove("test27_data_000003.h5");
remove("test27_data_000004.h5");
// No leftover HDF5 objects
REQUIRE(H5Fget_obj_count(H5F_OBJ_ALL, H5F_OBJ_ALL) == 0);
}
TEST_CASE("JFJochReader_NiggliClass", "[HDF5][Full]") {
DiffractionExperiment x(DetJF(1));
x.FilePrefix("test95").ImagesPerTrigger(4).OverwriteExistingFiles(true);
x.BitDepthImage(16).ImagesPerFile(1).SetFileWriterFormat(FileWriterFormat::NXmxLegacy).PixelSigned(true)
.IndexingAlgorithm(IndexingAlgorithmEnum::FFT);
x.Compression(CompressionAlgorithm::NO_COMPRESSION);
std::vector<int16_t> image(x.GetPixelsNum());
RegisterHDF5Filter();
{
StartMessage start_message;
x.FillMessage(start_message);
FileWriter file_set(start_message);
LatticeMessage lm{
.centering = 'F',
.niggli_class = 1,
.crystal_system = gemmi::CrystalSystem::Cubic,
.primitive = CrystalLattice(40, 50, 60, 90, 90, 90)
};
DataMessage message{};
message.number = 0;
message.image = CompressedImage(image, x.GetXPixelsNum(), x.GetYPixelsNum());
message.indexing_result = true;
message.indexing_lattice = CrystalLattice(40, 50, 60, 90, 90, 90);
message.lattice_type = lm;
REQUIRE_NOTHROW(file_set.WriteHDF5(message));
message.number = 1;
message.indexing_result = false;
message.indexing_lattice = std::nullopt;
REQUIRE_NOTHROW(file_set.WriteHDF5(message));
EndMessage end_message;
end_message.max_image_number = 2;
file_set.WriteHDF5(end_message);
file_set.Finalize();
}
{
JFJochHDF5Reader reader;
REQUIRE_NOTHROW(reader.ReadFile("test95_master.h5"));
auto dataset = reader.GetDataset();
CHECK(dataset->experiment.GetImageNum() == 2);
std::shared_ptr<JFJochReaderImage> reader_image, reader_image_2;
REQUIRE_NOTHROW(reader_image = reader.LoadImage(0));
REQUIRE(reader_image);
CHECK(reader_image->ImageData().indexing_result.value() == true);
REQUIRE(reader_image->ImageData().indexing_lattice);
REQUIRE(reader_image->ImageData().lattice_type);
CHECK(reader_image->ImageData().lattice_type->centering == 'F');
CHECK(reader_image->ImageData().lattice_type->niggli_class == 1);
CHECK(reader_image->ImageData().lattice_type->crystal_system == gemmi::CrystalSystem::Cubic);
REQUIRE_NOTHROW(reader_image_2 = reader.LoadImage(1));
REQUIRE(reader_image_2);
CHECK(!reader_image_2->ImageData().indexing_result.value());
REQUIRE(!reader_image_2->ImageData().indexing_lattice);
REQUIRE(!reader_image_2->ImageData().lattice_type);
}
remove("test95_master.h5");
remove("test95_data_000001.h5");
remove("test95_data_000002.h5");
// No leftover HDF5 objects
REQUIRE(H5Fget_obj_count(H5F_OBJ_ALL, H5F_OBJ_ALL) == 0);
}
TEST_CASE("JFJochReader_MissingEntries", "[HDF5][Full]") {
DiffractionExperiment x(DetJF(1));
x.FilePrefix("test96").ImagesPerTrigger(4).OverwriteExistingFiles(true);
x.BitDepthImage(16).ImagesPerFile(10).SetFileWriterFormat(FileWriterFormat::NXmxLegacy).PixelSigned(true)
.IndexingAlgorithm(IndexingAlgorithmEnum::FFT);
x.Compression(CompressionAlgorithm::NO_COMPRESSION);
std::vector<int16_t> image(x.GetPixelsNum());
RegisterHDF5Filter();
{
StartMessage start_message;
x.FillMessage(start_message);
FileWriter file_set(start_message);
DataMessage message{};
message.number = 0;
message.image = CompressedImage(image, x.GetXPixelsNum(), x.GetYPixelsNum());
message.indexing_result = true;
message.indexing_lattice = CrystalLattice(40, 50, 60, 90, 90, 90);
message.spot_count_indexed = 56;
message.spot_count = 85;
message.b_factor = 123.45;
message.spots = {SpotToSave{.x = 10, .y=50, .intensity = 80}};
REQUIRE_NOTHROW(file_set.WriteHDF5(message));
message.number = 1;
message.indexing_result = false;
message.indexing_lattice = std::nullopt;
message.spot_count_indexed = std::nullopt;
message.spot_count = 70;
message.b_factor = std::nullopt;
message.spots = {SpotToSave{.x = 10, .y=50, .intensity = 80}};
REQUIRE_NOTHROW(file_set.WriteHDF5(message));
EndMessage end_message;
end_message.max_image_number = 2;
file_set.WriteHDF5(end_message);
file_set.Finalize();
}
{
JFJochHDF5Reader reader;
REQUIRE_NOTHROW(reader.ReadFile("test96_master.h5"));
auto dataset = reader.GetDataset();
CHECK(dataset->experiment.GetImageNum() == 2);
REQUIRE(dataset->b_factor.size() == 2);
REQUIRE(dataset->spot_count_indexed.size() == 2);
CHECK(dataset->b_factor[0] == Catch::Approx(123.45));
CHECK(std::isnan(dataset->b_factor[1]));
CHECK(dataset->spot_count_indexed[0] == 56);
CHECK(dataset->spot_count_indexed[1] == 0);
std::shared_ptr<JFJochReaderImage> reader_image, reader_image_2;
REQUIRE_NOTHROW(reader_image = reader.LoadImage(0));
REQUIRE(reader_image);
REQUIRE(reader_image->ImageData().b_factor.has_value());
CHECK(reader_image->ImageData().b_factor.value() == Catch::Approx(123.45));
REQUIRE(reader_image->ImageData().spot_count_indexed.has_value());
CHECK(reader_image->ImageData().spot_count_indexed.value() == 56);
REQUIRE_NOTHROW(reader_image_2 = reader.LoadImage(1));
REQUIRE(reader_image_2);
CHECK(reader_image_2->ImageData().spot_count_indexed.has_value());
CHECK(reader_image_2->ImageData().spot_count_indexed.value() == 0);
}
remove("test96_master.h5");
remove("test96_data_000001.h5");
// No leftover HDF5 objects
REQUIRE(H5Fget_obj_count(H5F_OBJ_ALL, H5F_OBJ_ALL) == 0);
}
TEST_CASE("JFJochReader_Spots_OldMasterFormat", "[HDF5][Full]") {
DiffractionExperiment x(DetJF(1));
x.FilePrefix("test40").ImagesPerTrigger(4).OverwriteExistingFiles(true);
x.BitDepthImage(16).ImagesPerFile(1).SetFileWriterFormat(FileWriterFormat::NXmxLegacy).PixelSigned(true)
.IndexingAlgorithm(IndexingAlgorithmEnum::FFT);
x.Compression(CompressionAlgorithm::NO_COMPRESSION);
std::vector<int16_t> image(x.GetPixelsNum());
RegisterHDF5Filter();
{
StartMessage start_message;
x.FillMessage(start_message);
FileWriter file_set(start_message);
for (int i = 0; i < x.GetImageNum(); i++) {
std::vector<SpotToSave> spots;
spots.push_back(SpotToSave{
.x = 1, .y = 2, .intensity = 376,
.ice_ring = true,
.indexed = true,
.h = 11, .k = -3, .l = -5,
.dist_ewald_sphere = 0.1234f
});
spots.push_back(SpotToSave{
.x = 7, .y = -3, .intensity = 0.156f,
.ice_ring = false,
.indexed = false,
});
image[5678] = i;
DataMessage message{};
message.image = CompressedImage(image, x.GetXPixelsNum(), x.GetYPixelsNum());
message.spots = spots;
message.indexing_result = (i % 2 == 0);
message.number = i;
message.spot_count = 72 + i;
message.spot_count_ice_rings = 45 + 2 * i;
message.spot_count_low_res = 12 + 3 * i;
message.spot_count_indexed = 15 + 4 * i;
REQUIRE_NOTHROW(file_set.WriteHDF5(message));
}
EndMessage end_message;
end_message.max_image_number = x.GetImageNum();
file_set.WriteHDF5(end_message);
file_set.Finalize();
}
{
JFJochHDF5Reader reader;
REQUIRE_NOTHROW(reader.ReadFile("test40_master.h5"));
auto dataset = reader.GetDataset();
CHECK(dataset->experiment.GetImageNum() == 4);
CHECK(dataset->spot_count[1] == 72 + 1);
CHECK(dataset->spot_count_ice_rings[2] == 45 + 2 * 2);
CHECK(dataset->spot_count_low_res[3] == 12 + 3 * 3);
CHECK(dataset->spot_count_indexed[0] == 15);
REQUIRE_THROWS(reader.LoadImage(4));
std::shared_ptr<JFJochReaderImage> reader_image;
for (int i = 0; i < 4; i++) {
REQUIRE_NOTHROW(reader_image = reader.LoadImage(i));
REQUIRE(reader_image);
CHECK(reader_image->ImageData().spot_count == 72 + i);
CHECK(reader_image->ImageData().spot_count_ice_rings == 45 + 2 * i);
CHECK(reader_image->ImageData().spot_count_low_res == 12 + 3 * i);
CHECK(reader_image->ImageData().spot_count_indexed == 15 + 4 * i);
REQUIRE(reader_image->ImageData().spots.size() == 2);
CHECK(reader_image->ImageData().spots[0].x == 1);
CHECK(reader_image->ImageData().spots[0].y == 2);
CHECK(reader_image->ImageData().spots[0].intensity == 376);
CHECK(reader_image->ImageData().spots[0].ice_ring == true);
CHECK(reader_image->ImageData().spots[0].indexed == true);
CHECK(reader_image->ImageData().spots[0].h == 11);
CHECK(reader_image->ImageData().spots[0].k == -3);
CHECK(reader_image->ImageData().spots[0].l == -5);
CHECK(reader_image->ImageData().spots[0].dist_ewald_sphere == Catch::Approx(0.1234f));
CHECK(reader_image->ImageData().spots[1].x == 7);
CHECK(reader_image->ImageData().spots[1].y == -3);
CHECK(reader_image->ImageData().spots[1].intensity == Catch::Approx(0.156f));
CHECK(reader_image->ImageData().spots[1].ice_ring == false);
CHECK(reader_image->ImageData().spots[1].indexed == false);
}
}
remove("test40_master.h5");
remove("test40_data_000001.h5");
remove("test40_data_000002.h5");
remove("test40_data_000003.h5");
remove("test40_data_000004.h5");
// No leftover HDF5 objects
REQUIRE(H5Fget_obj_count(H5F_OBJ_ALL, H5F_OBJ_ALL) == 0);
}
TEST_CASE("JFJochReader_Spots_VDS", "[HDF5][Full]") {
DiffractionExperiment x(DetJF(1));
x.FilePrefix("test41").ImagesPerTrigger(4).OverwriteExistingFiles(true);
x.BitDepthImage(16).ImagesPerFile(1).SetFileWriterFormat(FileWriterFormat::NXmxLegacy).PixelSigned(true)
.IndexingAlgorithm(IndexingAlgorithmEnum::FFT);
x.Compression(CompressionAlgorithm::NO_COMPRESSION);
std::vector<int16_t> image(x.GetPixelsNum());
RegisterHDF5Filter();
{
StartMessage start_message;
x.FillMessage(start_message);
FileWriter file_set(start_message);
for (int i = 0; i < x.GetImageNum(); i++) {
std::vector<SpotToSave> spots;
spots.push_back(SpotToSave{
.x = 1, .y = 2, .intensity = 376,
.ice_ring = true,
.indexed = true,
.h = 11, .k = -3, .l = -5,
.dist_ewald_sphere = 0.1234f
});
spots.push_back(SpotToSave{
.x = 7, .y = -3, .intensity = 0.156f,
.ice_ring = false,
.indexed = false,
});
image[5678] = i;
DataMessage message{};
message.image = CompressedImage(image, x.GetXPixelsNum(), x.GetYPixelsNum());
message.spots = spots;
message.indexing_result = (i % 2 == 0);
message.number = i;
message.spot_count = 72 + i;
message.spot_count_ice_rings = 45 + 2 * i;
message.spot_count_low_res = 12 + 3 * i;
message.spot_count_indexed = 15 + 4 * i;
REQUIRE_NOTHROW(file_set.WriteHDF5(message));
}
EndMessage end_message;
end_message.max_image_number = x.GetImageNum();
file_set.WriteHDF5(end_message);
file_set.Finalize();
}
{
JFJochHDF5Reader reader;
REQUIRE_NOTHROW(reader.ReadFile("test41_master.h5"));
auto dataset = reader.GetDataset();
CHECK(dataset->experiment.GetImageNum() == 4);
CHECK(dataset->spot_count[1] == 72 + 1);
CHECK(dataset->spot_count_ice_rings[2] == 45 + 2 * 2);
CHECK(dataset->spot_count_low_res[3] == 12 + 3 * 3);
CHECK(dataset->spot_count_indexed[0] == 15);
REQUIRE_THROWS(reader.LoadImage(4));
std::shared_ptr<JFJochReaderImage> reader_image;
for (int i = 0; i < 4; i++) {
REQUIRE_NOTHROW(reader_image = reader.LoadImage(i));
REQUIRE(reader_image);
CHECK(reader_image->ImageData().spot_count == 72 + i);
CHECK(reader_image->ImageData().spot_count_ice_rings == 45 + 2 * i);
CHECK(reader_image->ImageData().spot_count_low_res == 12 + 3 * i);
CHECK(reader_image->ImageData().spot_count_indexed == 15 + 4 * i);
REQUIRE(reader_image->ImageData().spots.size() == 2);
CHECK(reader_image->ImageData().spots[0].x == 1);
CHECK(reader_image->ImageData().spots[0].y == 2);
CHECK(reader_image->ImageData().spots[0].intensity == 376);
CHECK(reader_image->ImageData().spots[0].ice_ring == true);
CHECK(reader_image->ImageData().spots[0].indexed == true);
CHECK(reader_image->ImageData().spots[0].h == 11);
CHECK(reader_image->ImageData().spots[0].k == -3);
CHECK(reader_image->ImageData().spots[0].l == -5);
CHECK(reader_image->ImageData().spots[0].dist_ewald_sphere == Catch::Approx(0.1234f));
CHECK(reader_image->ImageData().spots[1].x == 7);
CHECK(reader_image->ImageData().spots[1].y == -3);
CHECK(reader_image->ImageData().spots[1].intensity == Catch::Approx(0.156f));
CHECK(reader_image->ImageData().spots[1].ice_ring == false);
CHECK(reader_image->ImageData().spots[1].indexed == false);
}
}
remove("test41_master.h5");
remove("test41_data_000001.h5");
remove("test41_data_000002.h5");
remove("test41_data_000003.h5");
remove("test41_data_000004.h5");
// No leftover HDF5 objects
REQUIRE(H5Fget_obj_count(H5F_OBJ_ALL, H5F_OBJ_ALL) == 0);
}
TEST_CASE("JFJochReader_InstrumentMetadata_Sample_RingCurrent", "[HDF5][Full]") {
DiffractionExperiment x(DetJF(1));
// Set identifying names and ring current (mA in API; writer stores A)
x.FilePrefix("test_meta").ImagesPerTrigger(0).OverwriteExistingFiles(true);
InstrumentMetadata metadata;
metadata.InstrumentName("PXI").SourceName("SLS");
x.ImportInstrumentMetadata(metadata).SampleName("Lysozyme").RingCurrent_mA(399.5); // 0.3995 A
x.TotalFlux(1e7).AttenuatorTransmission(0.56);
x.DetectIceRings(false);
// Minimal other required fields
x.BeamX_pxl(100).BeamY_pxl(200).DetectorDistance_mm(150)
.IncidentEnergy_keV(WVL_1A_IN_KEV)
.FrameTime(std::chrono::microseconds(500), std::chrono::microseconds(10));
// also set fluorescence spectrum
x.FluorescenceSpectrum(XrayFluorescenceSpectrum({1.0f, 2.0f, 3.0f}, {5.0f, 7.0f, 6.0f}));
RegisterHDF5Filter();
{
StartMessage start_message;
x.FillMessage(start_message);
EndMessage end_message;
end_message.max_image_number = 0;
std::unique_ptr<NXmx> master = std::make_unique<NXmx>(start_message);
master->Finalize(end_message);
master.reset();
}
{
JFJochHDF5Reader reader;
REQUIRE_NOTHROW(reader.ReadFile("test_meta_master.h5"));
auto dataset = reader.GetDataset();
auto meta = dataset->experiment.GetInstrumentMetadata();
CHECK(meta.GetInstrumentName() == "PXI");
CHECK(meta.GetSourceName() == "SLS");
CHECK(dataset->experiment.GetAttenuatorTransmission() == Catch::Approx(0.56));
CHECK(dataset->experiment.GetTotalFlux() == Catch::Approx(1e7));
// Sample name
CHECK(dataset->experiment.GetSampleName() == "Lysozyme");
// Ring current read back in mA; allow small fp tolerance
CHECK(dataset->experiment.GetRingCurrent_mA().has_value());
CHECK(dataset->experiment.GetRingCurrent_mA().value() == Catch::Approx(399.5));
CHECK(!dataset->experiment.IsDetectIceRings());
// Fluorescence spectrum presence and values
REQUIRE(!dataset->experiment.GetFluorescenceSpectrum().empty());
const auto& fl = dataset->experiment.GetFluorescenceSpectrum();
CHECK(fl.GetEnergy_eV().size() == 3);
CHECK(fl.GetData().size() == 3);
CHECK(fl.GetEnergy_eV()[0] == Catch::Approx(1.0f));
CHECK(fl.GetData()[1] == Catch::Approx(7.0f));
}
remove("test_meta_master.h5");
REQUIRE(H5Fget_obj_count(H5F_OBJ_ALL, H5F_OBJ_ALL) == 0);
}