AlignAndFocusPowderSlim prototype (#38279)

* Template code from class_maker

* Make method public so it can be reused

* Remove unused variable

* First version with everything hard-coded

* Add methods to DetectorInfo to make the iterator more useful

* Add support for having focus parameters

* Simple parallel event processing

* Multithread finding min/max and add timers

* Move to std::optional like the rest of mantid

* Add Fitler By Time

* Fix limits

* Add loading cal file and change output to be d-spacing

* [pre-commit.ci] auto fixes from pre-commit.com hooks

for more information, see https://pre-commit.ci

* Set units

* Add binning params

* Simplify workspace creation

* Use mask from calibration file

* Filter banks to process before starting the main processing loop

* Refactor code in preparation of having a loading task

* Refactor code to multithread reading from disk

* Undo changes to LoadBankFromDiskTask

* Add event filtering and loading logs

* Read 1GB of events from disk at a time to improve perfomance on larger files

* Change name following nexus refactor

* Split binning parameters into separate properties

* Add focus positions and set them on the instrument

* Change the units of the output workspace to TOF and fix all the math

* Add test with default values for everything

* Add test with values appropriate for the data

* Expose how many banks to read in a single thread and add progress bar

* Move chunking parameters to be input options

* Add release notes

* Change return since it is always a known value

* Make clear this is for vulcan plus small multithreading improvements

* Ignore commit from using black on the repository

* Ban 1GB VULCAN file from system test to keep things moving

* Fix issues spotted by clang

* Add user docs. Most of them are limitations

* Lots of small changes based on review observations

* Bring back make_unique for cppcheck

---------

Co-authored-by: Ross Whitfield <whitfieldre1@ornl.gov>
Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>

Author: 3 people

.git-blame-ignore-revs

@@ -11,5 +11,6 @@
 # git blame --ignore-revs-file .git-blame-ignore-revs
 
 dccacdbddbc28f43a4ab9d1b63caf2fda71b1688
+80a5951cd11c70f24836b934d832ef7c265daa84
 9485437150f800515afbf15ab6ef05108714a0eb
 a90b115e443e27eb187aba3cd794eee591079401

Framework/DataHandling/CMakeLists.txt

@@ -1,4 +1,5 @@
 set(SRC_FILES
+    src/AlignAndFocusPowderSlim.cpp
     src/ApplyDiffCal.cpp
     src/BankPulseTimes.cpp
     src/CheckMantidVersion.cpp
@@ -211,6 +212,7 @@ set(SRC_FILES
 )
 
 set(INC_FILES
+    inc/MantidDataHandling/AlignAndFocusPowderSlim.h
     inc/MantidDataHandling/ApplyDiffCal.h
     inc/MantidDataHandling/BankPulseTimes.h
     inc/MantidDataHandling/BitStream.h
@@ -427,6 +429,7 @@ set(INC_FILES
 )
 
 set(TEST_FILES
+    AlignAndFocusPowderSlimTest.h
     ApplyDiffCalTest.h
     BankPulseTimesTest.h
     CheckMantidVersionTest.h
@@ -449,8 +452,8 @@ set(TEST_FILES
     ExtractPolarizationEfficienciesTest.h
     FindDetectorsInShapeTest.h
     FindDetectorsParTest.h
-    GenerateGroupingPowderTest.h
     GenerateGroupingPowder2Test.h
+    GenerateGroupingPowderTest.h
     GroupDetectors2Test.h
     GroupDetectorsTest.h
     ISISDataArchiveTest.h

Framework/DataHandling/inc/MantidDataHandling/AlignAndFocusPowderSlim.h

@@ -0,0 +1,70 @@
+// Mantid Repository : https://github.com/mantidproject/mantid
+//
+// Copyright © 2024 ISIS Rutherford Appleton Laboratory UKRI,
+//   NScD Oak Ridge National Laboratory, European Spallation Source,
+//   Institut Laue - Langevin & CSNS, Institute of High Energy Physics, CAS
+// SPDX - License - Identifier: GPL - 3.0 +
+#pragma once
+
+#include "MantidAPI/Algorithm.h"
+#include "MantidAPI/MatrixWorkspace_fwd.h"
+#include "MantidDataHandling/DllConfig.h"
+#include "MantidGeometry/IDTypes.h"
+
+namespace NeXus {
+class File;
+}
+
+namespace Mantid {
+namespace DataHandling {
+
+/** AlignAndFocusPowderSlim : TODO: DESCRIPTION
+ */
+class MANTID_DATAHANDLING_DLL AlignAndFocusPowderSlim : public API::Algorithm {
+public:
+  const std::string name() const override;
+  int version() const override;
+  const std::string category() const override;
+  const std::string summary() const override;
+  const std::vector<std::string> seeAlso() const override;
+
+  class MANTID_DATAHANDLING_DLL BankCalibration {
+  public:
+    BankCalibration(const detid_t idmin, const detid_t idmax, const std::map<detid_t, double> &calibration_map);
+    const double &value(const detid_t detid) const;
+    const detid_t &idmin() const;
+    detid_t idmax() const;
+
+  private:
+    std::vector<double> m_calibration;
+    detid_t m_detid_offset;
+  };
+
+private:
+  void init() override;
+  std::map<std::string, std::string> validateInputs() override;
+  void exec() override;
+
+  API::MatrixWorkspace_sptr createOutputWorkspace(const size_t numHist, const bool linearBins, const double x_delta);
+  API::MatrixWorkspace_sptr editInstrumentGeometry(API::MatrixWorkspace_sptr &wksp, const double l1,
+                                                   const std::vector<double> &polars,
+                                                   const std::vector<specnum_t> &specids,
+                                                   const std::vector<double> &l2s,
+                                                   const std::vector<double> &azimuthals);
+  void initCalibrationConstants(API::MatrixWorkspace_sptr &wksp, const std::vector<double> &difc_focus);
+  void loadCalFile(const API::Workspace_sptr &inputWS, const std::string &filename,
+                   const std::vector<double> &difc_focus);
+
+  std::map<detid_t, double> m_calibration; // detid: 1/difc
+  std::set<detid_t> m_masked;
+  bool is_time_filtered{false};
+  size_t pulse_start_index{0};
+  size_t pulse_stop_index{std::numeric_limits<size_t>::max()};
+  /// Index to load start at in the file
+  std::vector<int64_t> loadStart;
+  /// How much to load in the file
+  std::vector<int64_t> loadSize;
+};
+
+} // namespace DataHandling
+} // namespace Mantid