Things from main (#39015)

* Update citation file for 6.12.0 release

* Fix stack overflow error due to invalid condition (#38821)

Fix stackoverlow error when passing comma separated paths to ConfigService::setDataSearchDirs

* Better feedback for changes in the new settings widget (#38799)

* add presenter base class and notify main presenter when changes occur

* change 'okay' to 'ok'

* add missing tests to the cmakelist

* add test for settings tab presenter base class

* add tests for settings presenter changes

* changes to tab presenter tests

* remove change making the settings tabs presenters Qt objects

* added release notes

* add missing calls to unittest.main()

* make the base classes ABCs

* Add new authors for 6.12 (#38982)

* Drop __init__ from AbinsAlgorithm

It doesn't seem to do anything useful

Accept CacheDirectory user input to Abins (currently does nothing)

Add an input parameter "CacheDirectory" which is validated as being
writeable. This gives a nice user experience, with default value
appearing when the field is emptied.

The actual caching mechanics still need to be connected to this
parameter.

Modify Abins test cleanup to take cache dir; update loader tests

Other tests (which create cache in different ways) still fail, this is
expected.

Update more tests for explicit cache dir

Fix Abins Unit tests; revised cleanup function signature

We are also starting to pass the cache directory to Abins explicitly,
although it is not used yet.

Use explicit cache_directory variable in Abins algorithms

Ensure explicit cache_directory is used across Abins and tests

- Temporarily raise an error if the default cache_directory (None) is
  passed to abins.io.IO
- This helped identify where tests were using default dirs. Now there
  are updated to use a (somewhat inconsistent) mixture of temporary
  directories and the user default directory

More use of tmpdir on Abins tests

- With explicit cache paths we can remove the need to patch IO class
  and simplify tests
- Using TemporaryDirectory.cleanup() simplifies post-test clean-up

Rely entirely on tempfile to cleanup Abins tests

More consistent attribute names

Make cache_directory argument mandatory

More consistent attribute names

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

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

Add CacheDirectory to Abins-1 doctest

Abins2D will still break.

I'm not really happy with this "fix" because there _should_ be a
default argument.

Fix Abins2D doctest (but a bit clunky)

As with Abins-v1, we fix the doctest by
- providing a CacheDirectory argument to the Algorithm calls
- setting a corresponding cleanup path

The problems with this approach are:
- it's ugly and distracting
- it _should_ be unnecessary, there is a default value and it works
when calling from GUI
- /tmp probably doesn't work on Windows

Add release note

Doctests: default parameter for CacheDirectory seems to work!

It has been a bit of a headache getting these to work nicely, but it
may have been something to do with spacing between RST lines.

There seems to be a little API change at work here: the default cache
director is now always the default save directory. Previously, it
seems that command-line runs of Mantid would sometimes use the current
directory from which Mantid was launched.

That may be a headscratcher or even breaking for certain user scripts.
In such workflows it would be highly recommended to set an explicit
directory.

Rework defaultsave / cleanup logic for Abins doctests

Further Abins doctest cleanup

Use magic * to share test setup/cleanup logic across tests.
Move cleanup to top of file and use comments so it is easier to see
what is going on.

* refactor to remove repeated validation code

added focus_mode parameter

added test coverage for different focus modes for multi-ws

reformatted the HelperClass

removed the abstractmethods in HelperClass

updated GEM mixin class

update gem run_focus

added multiple_ws tests

changed param from focus_mode to input_mode

added reference data check for GEM

added reference data check for polaris

added data files to repo

fixed test filenames to work with cmake

* Allow User-Configured Input Spin State Orders From The GUI & Parameter File (#38783)

* Return spin states from parameter file for Wildes

RE #37617

* Add fredrikze spin state line-edit to gui

RE #37617

* Add getters and setters to view

RE #37617

* Implement input disabling logic

RE #37617

* Add spin state order to Pol Corr model

RE #37617

* Update model from presenter

RE #37617

* Validate Fredrikze spinstate order at alg level

RE #37617

* Add documentation

RE #37617

* Include new field in encoder and decoder

This is needed for batch saving/loading and for project recovery.

RE #37617

* Use std::optional where appropriate

RE #37617

* Use a  SpinStateValidator for passing to Wildes

Uses a SpinStateValidator to match the validator in
PolarizationCorrectionWildes. This additionally fixes a problem where
not including spaces when providing spin states would result in an
error.

RE #37617

* Get document from main

* Get updates to buildscripts from main

* Update zoom polarized IDF (#38979)

* update ZOOM IDF

* correct allignment

---------

Co-authored-by: James Clarke <james.clarke@stfc.ac.uk>
Co-authored-by: Mohammed Almakki <44416400+MohamedAlmaki@users.noreply.github.com>
Co-authored-by: Jonathan Haigh <35813666+jhaigh0@users.noreply.github.com>
Co-authored-by: James Clarke <139879523+jclarkeSTFC@users.noreply.github.com>
Co-authored-by: Adam J. Jackson <a.j.jackson@physics.org>
Co-authored-by: Andy Bridger <andy.bridger@stfc.ac.uk>
Co-authored-by: Caila Finn <47181718+cailafinn@users.noreply.github.com>
Co-authored-by: MialLewis <95620982+MialLewis@users.noreply.github.com>

Author: 8 people

CITATION.cff

@@ -6,9 +6,9 @@ authors:
     email: mantid-help@mantidproject.org
     website: https://www.mantidproject.org/
 title: Manipulation and Analysis Toolkit for Instrument Data
-version: 6.11.0
-doi: 10.5286/Software/Mantid6.11
-date-released: 2024-10-24
+version: 6.12.0
+doi: 10.5286/Software/Mantid6.12
+date-released: 2025-02-26
 keywords:
   - mantid
   - neutron

Framework/Algorithms/src/PolarizationEfficiencyCor.cpp

@@ -96,17 +96,9 @@ void PolarizationEfficiencyCor::init() {
       "histograms: P1, P2, F1 and F2 in the Wildes method and Pp, "
       "Ap, Rho and Alpha for Fredrikze.");
 
-  const std::string full = std::string(FlipperConfigurations::OFF_OFF) + ", " + FlipperConfigurations::OFF_ON + ", " +
-                           FlipperConfigurations::ON_OFF + ", " + FlipperConfigurations::ON_ON;
-  const std::string missing01 = std::string(FlipperConfigurations::OFF_OFF) + ", " + FlipperConfigurations::ON_OFF +
-                                ", " + FlipperConfigurations::ON_ON;
-  const std::string missing10 = std::string(FlipperConfigurations::OFF_OFF) + ", " + FlipperConfigurations::OFF_ON +
-                                ", " + FlipperConfigurations::ON_ON;
-  const std::string missing0110 = std::string(FlipperConfigurations::OFF_OFF) + ", " + FlipperConfigurations::ON_ON;
-  const std::string noAnalyzer = std::string(FlipperConfigurations::OFF) + ", " + FlipperConfigurations::ON;
-  const std::string directBeam = std::string(FlipperConfigurations::OFF);
-  const std::vector<std::string> setups{{"", full, missing01, missing10, missing0110, noAnalyzer, directBeam}};
-  declareProperty(Prop::FLIPPERS, "", std::make_shared<Kernel::ListValidator<std::string>>(setups),
+  const auto wildesFlipperValidator =
+      std::make_shared<SpinStateValidator>(std::unordered_set<int>{1, 2, 3, 4}, true, '0', '1', true);
+  declareProperty(Prop::FLIPPERS, "", wildesFlipperValidator,
                   "Flipper configurations of the input workspaces  (Wildes method only)");
 
   const auto spinStateValidator =

Framework/Kernel/src/ConfigService.cpp

@@ -85,20 +85,22 @@ namespace { // anonymous namespace for some utility functions
 /// static Logger object
 Logger g_log("ConfigService");
 
+const std::string PATH_DELIMITERS = ";,";
+
 /**
- * Split the supplied string on semicolons.
+ * Split the supplied string on semicolons and commas.
  *
  * @param path The path to split.
  * @returns vector containing the split path.
  */
 std::vector<std::string> splitPath(const std::string &path) {
   std::vector<std::string> splitted;
 
-  if (path.find(';') == std::string::npos) { // don't bother tokenizing
+  if (path.find_first_of(PATH_DELIMITERS) == std::string::npos) { // don't bother tokenizing
     splitted.emplace_back(path);
   } else {
     int options = Mantid::Kernel::StringTokenizer::TOK_TRIM + Mantid::Kernel::StringTokenizer::TOK_IGNORE_EMPTY;
-    Mantid::Kernel::StringTokenizer tokenizer(path, ";,", options);
+    Mantid::Kernel::StringTokenizer tokenizer(path, PATH_DELIMITERS, options);
     auto iend = tokenizer.end();
     for (auto itr = tokenizer.begin(); itr != iend; ++itr) {
       if (!itr->empty()) {
@@ -425,7 +427,7 @@ std::string ConfigServiceImpl::makeAbsolute(const std::string &dir, const std::s
   }
   std::string converted;
   // If we have a list, chop it up and convert each one
-  if (dir.find_first_of(";,") != std::string::npos) {
+  if (dir.find_first_of(PATH_DELIMITERS) != std::string::npos) {
     auto splitted = splitPath(dir);
     auto iend = splitted.cend();
     for (auto itr = splitted.begin(); itr != iend;) {
@@ -1695,7 +1697,7 @@ void ConfigServiceImpl::updateFacilities(const std::string &fName) {
 /// Empty the list of facilities, deleting the FacilityInfo objects in the
 /// process
 void ConfigServiceImpl::clearFacilities() {
-  for (auto &facility : m_facilities) {
+  for (const auto &facility : m_facilities) {
     delete facility;
   }
   m_facilities.clear();

Framework/Kernel/test/ConfigServiceTest.h

@@ -659,6 +659,35 @@ class ConfigServiceTest : public CxxTest::TestSuite {
     }
   }
 
+  void testsetDataSearchDirs() {
+    std::string dirs;
+    std::string expected = "/test/a/;/test/b/;/test/c/";
+
+    // separated all by ;
+    dirs = "/test/a/;/test/b/;/test/c/";
+    ConfigService::Instance().setDataSearchDirs(dirs);
+    TS_ASSERT_EQUALS(ConfigService::Instance().getString("datasearch.directories"), dirs);
+    ConfigService::Instance().reset();
+
+    // separated all by ,
+    dirs = "/test/a/,/test/b/,/test/c/";
+    ConfigService::Instance().setDataSearchDirs(dirs);
+    TS_ASSERT_EQUALS(ConfigService::Instance().getString("datasearch.directories"), expected);
+    ConfigService::Instance().reset();
+
+    // separated all by , and ;
+    dirs = "/test/a/,/test/b/;/test/c/";
+    ConfigService::Instance().setDataSearchDirs(dirs);
+    TS_ASSERT_EQUALS(ConfigService::Instance().getString("datasearch.directories"), expected);
+    ConfigService::Instance().reset();
+
+    // one path
+    dirs = "/test/a/";
+    ConfigService::Instance().setDataSearchDirs(dirs);
+    TS_ASSERT_EQUALS(ConfigService::Instance().getString("datasearch.directories"), dirs);
+    ConfigService::Instance().reset();
+  }
+
 protected:
   bool m_valueChangedSent;
   std::string m_key;

Framework/Properties/Mantid.properties.template

@@ -258,7 +258,7 @@ plots.y_min =
 plots.y_max =
 
 # The default width of the lines for the axes
-plots.axesLineWidth = 1
+plots.axesLineWidth = 1.0
 
 # Whether to enable the grid by default
 plots.enableGrid = Off
@@ -300,7 +300,7 @@ plots.line.Width = 1.5
 plots.marker.Style = None
 
 # Default maker size on 1d plots
-plots.marker.Size = 6
+plots.marker.Size = 6.0
 
 # Default cap size on error bars in 1d plots
 plots.errorbar.Capsize = 0.0
@@ -324,7 +324,7 @@ plots.errorbar.MarkerSize = 4
 plots.legend.Location = best
 
 # Default legend size
-plots.legend.FontSize = 8
+plots.legend.FontSize = 8.0
 
 # Default colormap for image plots
 plots.images.Colormap = viridis

Framework/PythonInterface/plugins/algorithms/Abins.py

@@ -108,7 +108,9 @@ def PyExec(self):
         prog_reporter.report("Input data from the user has been collected.")
 
         # 2) read ab initio data
-        ab_initio_data = abins.AbinsData.from_calculation_data(self._vibrational_or_phonon_data_file, self._ab_initio_program)
+        ab_initio_data = abins.AbinsData.from_calculation_data(
+            self._vibrational_or_phonon_data_file, self._ab_initio_program, cache_directory=self._cache_directory
+        )
         prog_reporter.report("Vibrational/phonon data has been read.")
 
         # 3) calculate S
@@ -129,6 +131,7 @@ def PyExec(self):
             instrument=self._instrument,
             quantum_order_num=self._num_quantum_order_events,
             autoconvolution_max=autoconvolution_max,
+            cache_directory=self._cache_directory,
         )
         s_calculator.progress_reporter = prog_reporter
         s_data = s_calculator.get_formatted_data()

Framework/PythonInterface/plugins/algorithms/Abins2D.py

@@ -118,7 +118,11 @@ def PyExec(self):
         prog_reporter.report("Input data from the user has been collected.")
 
         # 2) read ab initio data
-        ab_initio_data = abins.AbinsData.from_calculation_data(self._vibrational_or_phonon_data_file, self._ab_initio_program)
+        ab_initio_data = abins.AbinsData.from_calculation_data(
+            self._vibrational_or_phonon_data_file,
+            self._ab_initio_program,
+            cache_directory=self._cache_directory,
+        )
         prog_reporter.report("Vibrational/phonon data has been read.")
 
         # 3) calculate S
@@ -139,6 +143,7 @@ def PyExec(self):
             autoconvolution_max=autoconvolution_max,
             instrument=self._instrument,
             quantum_order_num=self._num_quantum_order_events,
+            cache_directory=self._cache_directory,
         )
         s_calculator.progress_reporter = prog_reporter
         s_data = s_calculator.get_formatted_data()

Framework/PythonInterface/plugins/algorithms/ReflectometryReductionOneLiveData.py

@@ -112,6 +112,7 @@ def PyInit(self):
             "CalibrationFile",
             "OutputWorkspace",
             "PolarizationEfficiencies",
+            "FredrikzePolarizationSpinStateOrder",
             "ROIDetectorIDs",
         ]
         self.copyProperties("ReflectometryISISLoadAndProcess", self._child_properties)

Framework/PythonInterface/plugins/algorithms/WorkflowAlgorithms/ReflectometryISISLoadAndProcess.py

@@ -278,6 +278,16 @@ def _declarePolarizationEfficiencyProperties(self):
             "the Wildes or Fredrikze correction methods.",
             Direction.Input,
         )
+        self.declareProperty(
+            "FredrikzePolarizationSpinStateOrder",
+            "",
+            "The spin state order of the workspaces in the workspace group to be passed to "
+            'PolarizationCorrectionsFredrikze. See the "Spin State Configurations" -> '
+            '"InputSpinStates" section of the PolarizationCorrectionsFredrikze v1 documentation for '
+            "more details. This is only applied to Fredrikze corrections. Wildes flipper "
+            "configurations are taken from the instrument's parameter file.",
+            Direction.Input,
+        )
 
     def _getInputWorkspaces(self, runs, isTrans):
         """Convert the given run numbers into real workspace names. Uses workspaces from
@@ -637,6 +647,7 @@ def _reduce(self, input_workspace, first_trans_workspace, second_trans_workspace
         efficiencies_ws = self._loadPolarizationCorrectionWorkspace()
         if efficiencies_ws:
             alg.setProperty("PolarizationEfficiencies", efficiencies_ws)
+        alg.setProperty("FredrikzePolarizationSpinStateOrder", self.getPropertyValue("FredrikzePolarizationSpinStateOrder"))
         alg.execute()
         return alg