From 81eaa20d99167533c145b12f1af4ba5479277070 Mon Sep 17 00:00:00 2001 From: Gui Pereira Date: Wed, 2 Oct 2024 11:08:40 +0100 Subject: [PATCH 01/28] Add outputs of running release_editor.py Ran release_editor.py script and commited the resulting changes --- .../Engineering/Bugfixes/{ => Used}/37659.rst | 0 .../Powder/Bugfixes/{ => Used}/36809.rst | 0 .../Powder/Bugfixes/{ => Used}/37629.rst | 0 .../Powder/Bugfixes/{ => Used}/37791.rst | 0 .../Powder/Bugfixes/{ => Used}/37811.rst | 0 .../Powder/Bugfixes/{ => Used}/37814.rst | 0 .../Powder/Bugfixes/{ => Used}/37850.rst | 0 .../Powder/New_features/{ => Used}/37352.rst | 0 .../Powder/New_features/{ => Used}/37470.rst | 0 .../Powder/New_features/{ => Used}/37500.rst | 0 .../Powder/New_features/{ => Used}/37517.rst | 0 .../Powder/New_features/{ => Used}/37826.rst | 0 .../Powder/New_features/{ => Used}/37929.rst | 0 .../Bugfixes/{ => Used}/37745.rst | 0 .../New_features/{ => Used}/35711.rst | 0 .../New_features/{ => Used}/37407.rst | 0 .../New_features/{ => Used}/37426.rst | 0 .../New_features/{ => Used}/37575.rst | 0 .../New_features/{ => Used}/37596.rst | 0 .../New_features/{ => Used}/37599.rst | 0 .../New_features/{ => Used}/37621.rst | 0 .../New_features/{ => Used}/37748.rst | 0 .../Bugfixes/{ => Used}/37847.rst | 0 .../General/Bugfixes/{ => Used}/37651.rst | 0 .../General/Bugfixes/{ => Used}/37805.rst | 0 .../General/New_features/{ => Used}/37673.rst | 0 .../Algorithms/Bugfixes/{ => Used}/37421.rst | 0 .../Algorithms/Bugfixes/{ => Used}/37719.rst | 0 .../Algorithms/Bugfixes/{ => Used}/37725.rst | 0 .../Algorithms/Bugfixes/{ => Used}/37781.rst | 0 .../Algorithms/Bugfixes/{ => Used}/37815.rst | 0 .../Algorithms/Bugfixes/{ => Used}/37819.rst | 0 .../Algorithms/Bugfixes/{ => Used}/37833.rst | 0 .../Algorithms/Bugfixes/{ => Used}/37842.rst | 0 .../New_features/{ => Used}/35067.rst | 0 .../New_features/{ => Used}/35373.rst | 0 .../New_features/{ => Used}/37406.rst | 0 .../New_features/{ => Used}/37605.rst | 0 .../New_features/{ => Used}/37649.rst | 0 .../New_features/{ => Used}/37663.rst | 0 .../New_features/{ => Used}/37731.rst | 0 .../New_features/{ => Used}/37774.rst | 0 .../New_features/{ => Used}/37793.rst | 0 .../New_features/{ => Used}/37809.rst | 0 .../New_features/{ => Used}/37816.rst | 0 .../New_features/{ => Used}/37820.rst | 0 .../New_features/{ => Used}/37831.rst | 0 .../New_features/{ => Used}/37857.rst | 0 .../New_features/{ => Used}/37900.rst | 0 .../New_features/{ => Used}/37909.rst | 0 .../New_features/{ => Used}/37933.rst | 0 .../Algorithms/Removed/{ => Used}/37739.rst | 0 .../Algorithms/Removed/{ => Used}/37761.rst | 0 .../Algorithms/Removed/{ => Used}/37779.rst | 0 .../Algorithms/Removed/{ => Used}/37864.rst | 0 .../Algorithms/Removed/{ => Used}/37865.rst | 0 .../Algorithms/Removed/{ => Used}/37869.rst | 0 .../Algorithms/Removed/{ => Used}/37886.rst | 0 .../Bugfixes/{ => Used}/37743.rst | 0 .../Bugfixes/{ => Used}/38027.rst | 0 .../Bugfixes/{ => Used}/37440.rst | 0 .../Bugfixes/{ => Used}/37715.rst | 0 .../New_features/{ => Used}/37519.rst | 0 .../New_features/{ => Used}/37891.rst | 0 .../New_features/{ => Used}/37194.rst | 0 .../New_features/{ => Used}/37800.rst | 0 .../Python/New_features/{ => Used}/37708.rst | 0 .../Python/New_features/{ => Used}/37878.rst | 0 .../Python/New_features/{ => Used}/37879.rst | 0 .../Algorithms/Bugfixes/{ => Used}/37889.rst | 0 .../Indirect/Bugfixes/{ => Used}/37611.rst | 0 .../Indirect/Bugfixes/{ => Used}/37806.rst | 0 .../Indirect/Bugfixes/{ => Used}/37810.rst | 0 .../New_features/{ => Used}/37837.rst | 0 .../Inelastic/Bugfixes/{ => Used}/37428.rst | 0 .../Inelastic/Bugfixes/{ => Used}/37642.rst | 0 .../Inelastic/Bugfixes/{ => Used}/37653.rst | 0 .../Inelastic/Bugfixes/{ => Used}/37671.rst | 0 .../Inelastic/Bugfixes/{ => Used}/37682.rst | 0 .../Inelastic/Bugfixes/{ => Used}/37706.rst | 0 .../Inelastic/Bugfixes/{ => Used}/37724.rst | 0 .../Inelastic/Bugfixes/{ => Used}/37770.rst | 0 .../Inelastic/Bugfixes/{ => Used}/37787.rst | 0 .../Inelastic/Bugfixes/{ => Used}/37788.rst | 0 .../Inelastic/Bugfixes/{ => Used}/37862.rst | 0 .../Inelastic/Bugfixes/{ => Used}/37898.rst | 0 .../Inelastic/Bugfixes/{ => Used}/37920.rst | 0 .../Inelastic/Bugfixes/{ => Used}/37940.rst | 0 .../Inelastic/Bugfixes/{ => Used}/37973.rst | 0 .../Inelastic/Bugfixes/{ => Used}/38041.rst | 0 .../New_features/{ => Used}/36853.rst | 0 .../New_features/{ => Used}/37092.rst | 0 .../New_features/{ => Used}/37657.rst | 0 .../New_features/{ => Used}/37669.rst | 0 .../New_features/{ => Used}/37677.rst | 0 .../New_features/{ => Used}/37691.rst | 0 .../New_features/{ => Used}/37763.rst | 0 .../Muon/ALC/Bugfixes/{ => Used}/37946.rst | 0 .../Bugfixes/{ => Used}/34904.rst | 0 .../Bugfixes/{ => Used}/36860.rst | 0 .../Bugfixes/{ => Used}/37619.rst | 0 .../Bugfixes/{ => Used}/37769.rst | 0 .../New_features/{ => Used}/35682.rst | 0 .../SANS/Bugfixes/{ => Used}/37577.rst | 0 .../SANS/Bugfixes/{ => Used}/37827.rst | 0 .../SANS/Bugfixes/{ => Used}/37846.rst | 0 .../SANS/Bugfixes/{ => Used}/37941.rst | 0 .../SANS/New_features/{ => Used}/36139.rst | 0 .../SANS/New_features/{ => Used}/38053.rst | 0 .../Workbench/Bugfixes/{ => Used}/33252.rst | 0 .../Workbench/Bugfixes/{ => Used}/36726.rst | 0 .../Workbench/Bugfixes/{ => Used}/37040.rst | 0 .../Workbench/Bugfixes/{ => Used}/37132.rst | 0 .../Workbench/Bugfixes/{ => Used}/37267.rst | 0 .../Workbench/Bugfixes/{ => Used}/37438.rst | 0 .../Workbench/Bugfixes/{ => Used}/37465.rst | 0 .../Workbench/Bugfixes/{ => Used}/37473.rst | 0 .../Workbench/Bugfixes/{ => Used}/37584.rst | 0 .../Workbench/Bugfixes/{ => Used}/37585.rst | 0 .../Workbench/Bugfixes/{ => Used}/37688.rst | 0 .../Workbench/Bugfixes/{ => Used}/37973.rst | 0 .../Bugfixes/{ => Used}/34378.rst | 0 .../Bugfixes/{ => Used}/34544.rst | 0 .../Bugfixes/{ => Used}/37370.rst | 0 .../Bugfixes/{ => Used}/37514.rst | 0 .../New_features/{ => Used}/33275.rst | 0 .../New_features/{ => Used}/37376.rst | 0 .../New_features/{ => Used}/37518.rst | 0 .../New_features/{ => Used}/37539.rst | 0 .../New_features/{ => Used}/37542.rst | 0 .../New_features/{ => Used}/37718.rst | 0 .../New_features/{ => Used}/37723.rst | 0 .../New_features/{ => Used}/37852.rst | 0 .../New_features/{ => Used}/37873.rst | 0 .../SliceViewer/Bugfixes/{ => Used}/36723.rst | 0 .../SliceViewer/Bugfixes/{ => Used}/37594.rst | 0 docs/source/release/v6.11.0/diffraction.rst | 36 +++++++++-- .../release/v6.11.0/direct_geometry.rst | 23 +++++-- docs/source/release/v6.11.0/framework.rst | 60 +++++++++++++++---- .../release/v6.11.0/indirect_geometry.rst | 10 ++-- docs/source/release/v6.11.0/inelastic.rst | 31 ++++++++-- .../release/v6.11.0/mantidworkbench.rst | 37 ++++++++++-- docs/source/release/v6.11.0/muon.rst | 12 ++-- docs/source/release/v6.11.0/reflectometry.rst | 8 ++- docs/source/release/v6.11.0/sans.rst | 10 +++- 145 files changed, 180 insertions(+), 47 deletions(-) rename docs/source/release/v6.11.0/Diffraction/Engineering/Bugfixes/{ => 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@@ -10,11 +10,21 @@ Powder Diffraction New features ############ -.. amalgamate:: Diffraction/Powder/New_features +- Added option to :ref:`AlignAndFocusPowder ` to support logarithmic compression +- :ref:`LoadEventAndCompress ` has been updated to take advantage of new capability in LoadEventNexus +- Add a minimum signal-to-sigma post-fitting check to :ref:`FitPeaks ` and :ref:`PDCalibration `, where peaks with a signal below the provided threshold will be rejected. +- Add option ``fit_prompt_pulse`` to HRPD (ISIS) reduction to fit and subtract prompt pulse (as opposed to default method of masking of prompt pulse in TOF). +- :ref:`AlignAndFocusPowderFromFiles ` has been updated to take advantage of new capability in :ref:`LoadEventNexus ` and :ref:`AlignAndFocusPowder ` +- :ref:`SNSPowderReduction ` has been updated to take advantage of new capabilities in :ref:`AlignAndFocusPowderFromFiles ` and :ref:`AlignAndFocusPowder ` Bugfixes ############ -.. amalgamate:: Diffraction/Powder/Bugfixes +- Fix bug where compression isn't run when logarithmic is selected in :ref:`AlignAndFocusPowder ` +- Refine error message when applying absorption correction with missing sample details in powder diffraction scripts +- Fix bug in :ref:`DiffractionFocussing ` not properly accumulating data when :ref:`CompressEvents ` prior to it in ``PreserveEvents=False`` mode +- Defect since 6.9.0: fix bug in PDCalibration where input pixels with empty event lists were no longer being masked +- Fix bug in the calibration diagnostics plotting where the solid angle of detectors were not extracted successfully +- Fix bug in POLARIS (ISIS) routine ``create_total_scattering_pdf`` causing unhandled error when calculating cross-sections of multi-atom unit cells for pdf normalisation. Engineering Diffraction @@ -22,11 +32,11 @@ Engineering Diffraction New features ############ -.. amalgamate:: Diffraction/Engineering/New_features + Bugfixes ############ -.. amalgamate:: Diffraction/Engineering/Bugfixes +- Fixed a crash in :ref:`Fitting tab ` of :ref:`Engineering Diffraction interface` when a fit is re-run for a function like PseudoVoigt that contains FWHM parameter as the peak function. Single Crystal Diffraction @@ -34,10 +44,24 @@ Single Crystal Diffraction New features ############ -.. amalgamate:: Diffraction/Single_Crystal/New_features +- Improve determination of background bins by minimising third-moment (skew) in :ref:`IntegratePeaksSkew ` by forcing skew > 0 (minimum skew would expect in background) +- Add cabability to not integrate peaks which include a masked detector in the following algorithms + + - :ref:`IntegratePeaksSkew ` + - :ref:`IntegratePeaksShoeboxTOF ` + - :ref:`IntegratePeaks1DProfile ` +- Add method ``find_consistent_ub`` to ISIS single-crystal reduction classes to find a UB that preserves indexing given a reference workspace (at different goniometer angle(s)) +- Add method ``optimize_goniometer_axis`` to ISIS single-crystal reduction classes to optimise the goniometer axes and angles given a sequence of workspaces at different goniometer angle with consistent UBs +- Update to algorithm :ref:`AddAbsorptionWeightedPathLengths ` that now allows lean peaks to be used. There is also an option to apply the correction. +- New algorithm :ref:`FindMultipleUMatrices ` to find multiple UB matrices (given lattice parameters) for sample with multiple domains or spurious peaks. +- Add method `calc_absorption_weighted_path_lengths` to ISIS single-crystal reduction classes that calculate tbar for each peak (saved in a column of the table) and optionally apply an attenuation correction to the integrated intensity of each peak. By default the correction will be applied if class has property scale_integrated = True) +- A new output property, ``Cells``, has been added to :ref:`ShowPossibleCells ` that includes the cell information in a usable way +- New algorithm :ref:`SaveMDHistoToVTK ` that saves a MDHistoWorkspace as a VTK file so that it can be visualized by Paraview. +- Improve shoebox position optimisation in :ref:`IntegratePeaks1DProfile ` - would previously be centred on nearby stronger peaks if present. Bugfixes ############ -.. amalgamate:: Diffraction/Single_Crystal/Bugfixes +- :ref:`LoadWANDSCD ` now keeps the sgl/sgu angles set by the goniometer +- :ref:`ConverWANDSCDToQ ` simplifies the underlying code by using histograms directly :ref:`Release 6.11.0 ` \ No newline at end of file diff --git a/docs/source/release/v6.11.0/direct_geometry.rst b/docs/source/release/v6.11.0/direct_geometry.rst index faa3cc7f985a..e435f7d40c06 100644 --- a/docs/source/release/v6.11.0/direct_geometry.rst +++ b/docs/source/release/v6.11.0/direct_geometry.rst @@ -10,11 +10,21 @@ General New features ############ -.. amalgamate:: Direct_Geometry/General/New_features +- SaveNXSPE now stores the run number of the input workspace in the instrument section. + + For Indirect instrument it also saves efixed taken from detector's crystal analyzer properties. + If all crystal analyzers have the same energy, single efixed is written + into NXSPE_info->fixed_energy as before, while if detectors have different analyzer's energies, + array of the energies is written into NXSPE_info->fixed_energy field of nxspe file. + Also for Indirect instrument, no "fermi" field is added to the "instrument" folder. + + The algorithm have been also modified so if Ei is provided as the propery value, + it always overrides the values, retrieved from the workspace. Bugfixes ############ -.. amalgamate:: Direct_Geometry/General/Bugfixes +- Fixed a crash on ALFView when moving the cursor over the Instrument View while loading data. +- Random phase values are no longer used on Merlin when using :ref:`PyChop` with instrument scientist mode disabled. CrystalField @@ -22,11 +32,12 @@ CrystalField New features ############ -.. amalgamate:: Direct_Geometry/CrystalField/New_features + Bugfixes ############ -.. amalgamate:: Direct_Geometry/CrystalField/Bugfixes +- The method `cf.getMagneticMoment()` no longer ignores the `Hmag` field, which is now + correctly considered in the calculations of the magnetic moment. MSlice @@ -34,11 +45,11 @@ MSlice New features ############ -.. amalgamate:: Direct_Geometry/MSlice/New_features + Bugfixes ############ -.. amalgamate:: Direct_Geometry/MSlice/Bugfixes + :ref:`Release 6.11.0 ` \ No newline at end of file diff --git a/docs/source/release/v6.11.0/framework.rst b/docs/source/release/v6.11.0/framework.rst index 77fd82658a92..d194bddd67d0 100644 --- a/docs/source/release/v6.11.0/framework.rst +++ b/docs/source/release/v6.11.0/framework.rst @@ -10,26 +10,59 @@ Algorithms New features ############ -.. amalgamate:: Framework/Algorithms/New_features +- H5 exceptions are now caught with improved error reporting. +- :ref:`algm-Load` will now give a warning if the extension specified on the filename, eg. `MUSR15189.txt`, is not found. + Loading files from interfaces or other algorithms should also give this warning. + The algorithm will still load the file by looking for other extensions, as was the case before. +- New version 2 of :ref:`GenerateGroupingPowder ` that will save the grouping file with groups starting at 1 instead of 0 to make them consisted with ``GroupingWorkspace``. The ``FileFormat`` parameter has also been removed as it will now be determined from the extension of ``GroupingFilename``. +- Implemented the :ref:`FilterBadPulses ` functionality in :ref:`LoadEventNexus `, adding the new ``FilterBadPulsesLowerCutoff`` parameter. +- A new ``SpinStates`` property has been added to :ref:`algm-PolarizationCorrectionWildes` and + :ref:`algm-PolarizationEfficiencyCor` to allow the order of the workspaces in the output Workspace Group to be set. +- Improve time-scaling performance of CombineDiffCal, and add extra validations. +- Add support for :ref:`Ragged Workspaces ` to :ref:`CompareWorkspaces `. +- Add a new method to :ref:`CompressEvents ` that will compress events without sorting first. This will be faster when there is a large density of events. +- Add support for :ref:`Ragged Workspaces ` to binary operations. :ref:`Plus `, :ref:`Minus `, :ref:`Divide ` and :ref:`Multiply `. +- Add OutputSuffix parameter to :ref:`ISISIndirectEnergyTransfer ` algorithm that will append a suffix to the end of output workspace names. +- Added a load compression parameter ``MinSizeCompressOnLoad`` for ref: :ref:`AlignAndFocusPowderFromFiles ` and ref: :ref:`SNSPowderReduction ` +- Changed use of `scipy.interpolate.interp2d` in `NMoldyn4Interpolation` to use `scipy.interpolate.RectBivariateSpline`, since `interp2d` has been removed in version 1.14 of `scipy`. See reference documentation here (https://docs.scipy.org/doc/scipy/reference/generated/scipy.interpolate.interp2d.html) +- Add support for a radial collimator in :ref:`DiscusMultipleScatteringCorrection ` algorithm that restricts scatter points within a small region within the larger sample volume. The algorithm was modified to assign zero weight to tracks where the final scatter is not in a position that allows the final track segment to pass through the collimator toward detectors. +- New version 2 of :ref:`LoadEventAsWorkspace2D ` that adds FilterByTime functionality. +- Created new algorithm :ref:`ScaleInstrumentComponent ` to scale all detectors in an instrument component around the component's geometrical position. +- Implemented an alternative input option :ref:`InstrumentDefinitionFile` in :ref:`GenerateGroupingSNSInelastic `, selecting the new ``InstrumentDefinitionFile`` option in instrument drop down menu will create a new field allowing users selecting older instrument definition files. +- add flag "CheckUncertainty" to :ref:`CompareWorkspaces ` to turn off comparing the y-value uncertainties. Bugfixes ############ -.. amalgamate:: Framework/Algorithms/Bugfixes +- Modify :ref:`LoadEventNexus ` so the minimum histogram bin edge is equal to the lowest time-of-flight event rather than one less. The effect is that there is no longer negative bin edges unless there is actually a negative time-of-flight in the data. +- Updated isotope densities, see https://pypi.org/project/periodictable/1.6.1/#history for notes about the updates from NIST +- Remove reference to `numpy.distutils` in `IntegratePeaks1DProfile`, since as of NumPy 1.23.0 it is deprecated. +- The :ref:`ScaleX ` algorithm has had a 95% speedup when using the "InstrumentParameter" property. +- Fixed bug when all sample times are before 01/01/1991 +- Fixed an unreliable segmentation fault in the :ref:`ExtractFFTSpectrum ` algorithm. +- The :ref:`LoadIsawUB ` algorithm now correctly adds the UB to the first experiment info when the input workspace has more than one. +- :ref:`SaveNexusProcessed ` and :ref:`LoadNexusProcessed ` has been fixed to correctly work with :ref:`Ragged Workspaces `. Removed ####### -.. amalgamate:: Framework/Algorithms/Removed +- The SaveDiffFittingAscii algorithm was deprecated in :ref:`Release 3.13.0 ` and has now been removed. Use :ref:`EnggSaveSinglePeakFitResultsToHDF5 ` instead. +- The AddNote algorithm was deprecated in :ref:`Release 3.6.0 ` and has now been removed. Please use :ref:`Comment ` instead. +- The FilterEventsByLogValuePreNexus algorithm was deprecated in 2014 and has now been removed. +- The FindUBUsingMinMaxD algorithm was deprecated in 2013 and has now been removed. Use :ref:`FindUBUsingFFT` instead. +- The ConvertEmptyToTof algorithm was deprecated in :ref:`Release 3.9.0 ` and has now been removed. +- The RecordPythonScript algorithm was deprecated in :ref:`Release 5.1.0 ` and has now been removed. Use :ref:`GeneratePythonScript` instead. +- The CheckWorkspacesMatch algorithm was deprecated in :ref:`Release 3.9.0 ` and has now been removed. Use :ref:`CompareWorkspaces` instead. Fit Functions ------------- New features ############ -.. amalgamate:: Framework/Fit_Functions/New_features +- Added the :ref:`PearsonIV ` fit function to model prompt pulses. +- Added the :ref:`SpinDiffusion ` fit function in the Muon category. Bugfixes ############ -.. amalgamate:: Framework/Fit_Functions/Bugfixes + Data Objects @@ -37,11 +70,12 @@ Data Objects New features ############ -.. amalgamate:: Framework/Data_Objects/New_features + Bugfixes ############ -.. amalgamate:: Framework/Data_Objects/Bugfixes +- Added a `+ 1` to `EventWorkspace::sortAll` to prevent grainsize from being 0. +- Loading ``ENGIN-X`` data on IDAaaS from the instrument data cache no longer throws a "path not found" error. Python @@ -49,11 +83,13 @@ Python New features ############ -.. amalgamate:: Framework/Python/New_features +- Creates documentation for :mod:`mantid.dataobjects` python bindings +- Fix python fuction ``assert_almost_equal`` to fail for non-equal workspaces +- The python function ``assert_almost_equal`` for testing if two modules are within a tolerance was reworked Bugfixes ############ -.. amalgamate:: Framework/Python/Bugfixes + Dependencies @@ -61,11 +97,13 @@ Dependencies New features ############ -.. amalgamate:: Framework/Dependencies/New_features +- Updated compiler on Linux to gcc version 12, which should improve performance in some circumstances +- Changing from ``Poco::File`` to ``std::filesystem`` in the Kernel module. There will be no noticeable effect to the users. Bugfixes ############ -.. amalgamate:: Framework/Dependencies/Bugfixes +- Add a run constraint to the mantid package to constrain the optional matplotlib dependency to v3.7. Previously it was possible to install any version of matplotlib alongside mantid in a conda environment, but we cannot guarantee compatibility for any version other than 3.7. +- Allow versions of `pycifrw` greater than 4.4.1 MantidWorkbench diff --git a/docs/source/release/v6.11.0/indirect_geometry.rst b/docs/source/release/v6.11.0/indirect_geometry.rst index d6555582e173..ce0617041825 100644 --- a/docs/source/release/v6.11.0/indirect_geometry.rst +++ b/docs/source/release/v6.11.0/indirect_geometry.rst @@ -7,12 +7,14 @@ Indirect Geometry Changes New Features ------------ -.. amalgamate:: Indirect/New_features + Bugfixes -------- -.. amalgamate:: Indirect/Bugfixes +- Fixed a bug on the Energy Transfer tab of the :ref:`Indirect Data Reduction ` interface where the first raw file would be loaded into the ADS but never deleted. +- Fixed a bug where the spectra numbering for reduced files from the :ref:`Indirect Data Reduction ` interface was not consistent for a summed file reduction compared to individual file reduction. +- Fixed a crash on the :ref:`interface-indirect-simulation` interface after clicking "Run" without loading data. Algorithms @@ -20,10 +22,10 @@ Algorithms New features ############ -.. amalgamate:: Indirect/Algorithms/New_features + Bugfixes ############ -.. amalgamate:: Indirect/Algorithms/Bugfixes +- fix :ref:`CompareWorkspaces ` for relative differences of small values. :ref:`Release 6.11.0 ` \ No newline at end of file diff --git a/docs/source/release/v6.11.0/inelastic.rst b/docs/source/release/v6.11.0/inelastic.rst index ea654401e4e4..4cace0525054 100644 --- a/docs/source/release/v6.11.0/inelastic.rst +++ b/docs/source/release/v6.11.0/inelastic.rst @@ -7,12 +7,35 @@ Inelastic Changes New Features ------------ -.. amalgamate:: Inelastic/New_features +- Add `Load Workspace History` option to the settings dialog for Indirect/Inelastic interfaces. +- It is possible to access the Slice Viewer or 3D Plot from the OutputPlot widget of the in :ref:`Elwin Tab ` of :ref:`Data Processor Interface ` for output workspaces containing more than 1 histogram. +- Added an option to "Tie Amplitudes" for two Lorentzians in the Convolution tab of the :ref:`Inelastic QENS Fitting ` interface. +- Added the ability to load `A0` fit parameter data into the `Function (Q)` tab of the :ref:`QENS Fitting ` interface. +- Add `Output Composite Members` option to I(Q, t) tab in :ref:`Inelastic QENS Fitting ` +- Rename tabs of :ref:`QENS Fitting ` from MSD Fit, I(Q,t) Fit, ConvFit and F(Q) to MSD, I(Q,t), Convolution and Function(Q) respectively. Add tooltip. +- Add option to not delete subtracted workspaces when adding new data in the :ref:`Container Subtraction ` tab of the Corrections interface. Bugfixes -------- -.. amalgamate:: Inelastic/Bugfixes +- Fixed an 'index out of range' error in the :ref:`BayesQuasi ` algorithm when using a sample with a Numeric Axis. +- Fix a freeze in :ref:`Elwin Tab ` of :ref:`Data Processor Interface ` that happens when running the tab. +- Fix a crash in :ref:`Convolution ` :ref:`QENS Fitting interface ` interface when attempting to Fix all IsoDiffRot parameters from the EditLocalParameter dialog. +- fix comparison operation in ``ISISIndirectInelastic.OSIRISIqtAndIqtFitMulti`` system test by turning off uncertainty check, using absolute comparison, and adjusting the tolerance. +- If the ADS is cleared from workspaces that are used to run fits on an open :ref:`QENS Fitting interface `, a warning message pops up when clicking on the `Run` button. +- Fixed a bug in the Monte Carlo error calculation on the I(Q, t) tab of the :ref:`Data Processor Interface ` where the first bin had an error of zero. +- Data unrestricted by suffix can be loaded on :ref:`Elwin Tab ` of the :ref:`Data Processor Interface ` if the option is selected from Settings. +- It is possible to see the Spectrum number 0 on the widget plot of the selected preview workspace on :ref:`Elwin interface ` +- Changing the preview spectrum above the plot widget combo box plots the correct spectrum for the selected index :ref:`Elwin interface ` +- Fix a bug in which sliders didn't respond to changes in `Emin` and `EMax` properties when changed from the property browser in the :ref:`Moments` tab of the :ref:`Data Processor ` interface. +- Fixed an invalid calculation of the EISF errors calculated on the Quasi tab of the :ref:`Inelastic Bayes fitting ` interface. +- Adding new data to the :ref:`Elwin data table ` after clearing the Analysis Data Service no longer raises a *No data found* warning. +- Mantid no longer crashes when trying to plot a preview of the selected workspace on the :ref:`Elwin tab ` after that workspace has been deleted from the ADS. +- Fix a cutoff issue with "Symmetric Energy Range" label in :ref:`Iqt` tab of the :ref:`Data Processor ` interface. +- The dialog window for adding data in the :ref:`Elwin Tab ` of the :ref:`Data Processor Interface ` no longer freezes when adding data. +- Fixed a crash on the Quasi tab of the :ref:`Inelastic Bayes Fitting ` interface caused by attempting to load a WorkspaceGroup rather than the expected Workspace2D. +- Prevented a crash on the Quasi tab of the :ref:`Inelastic Bayes Fitting ` interface caused by clicking `Run` before data has finished loading. +- Available fit functions in the `Function (Q)` tab of the :ref:`QENS Fitting ` interface are updated according to the type of data (`EISF`, `A0` or `Width`) loaded on the table. Algorithms @@ -20,10 +43,10 @@ Algorithms New features ############ -.. amalgamate:: Inelastic/Algorithms/New_features +- Add support for "high-precision" eigenvectors from GAUSSIAN in Abins/Abins2D algorithms. These are activated in GAUSSIAN with the ``freq(HPModes)`` parameter. In previous Mantid versions the Abins parser would fail to read the resulting files; now the high-precision values will be used. Bugfixes ############ -.. amalgamate:: Inelastic/Algorithms/Bugfixes + :ref:`Release 6.11.0 ` \ No newline at end of file diff --git a/docs/source/release/v6.11.0/mantidworkbench.rst b/docs/source/release/v6.11.0/mantidworkbench.rst index 7fa80fef1c68..ac9a7575fa16 100644 --- a/docs/source/release/v6.11.0/mantidworkbench.rst +++ b/docs/source/release/v6.11.0/mantidworkbench.rst @@ -7,12 +7,33 @@ Mantid Workbench Changes New Features ------------ -.. amalgamate:: Workbench/New_features +- Updated compiler on macOS from clang version 15 to 16, which should result in performance improvements. +- Clarified ``Report Usage Data`` checkbox on the Workbench About page to explain that usage reporting is required to use the Error Reporter. +- expose :class:`ConfigService::remove() ` to python API +- Handled error where parsing malformed XML code in the code editor caused mantid to crash. +- Force Style for QComboBoxes and text, in order to make text visible on OSX dark mode +- expose :class:`ConfigService::configureLogging() ` to python API +- expose :class:`ConfigService::getLogLevel() ` to python API +- fix handling of removed propertyies in :class:`ConfigService::saveConfig() ` +- Added a new :ref:`Deprecation Policy ` for Mantid. +- Added tooltips to the run and abort buttons, displaying their functionality and shortcut keys. Tooltips are displayed when hovering over the relevant buttons. +- Updated selection method to `ExtendedSelection `_ when adding workspaces to the sequential fit dialog. Bugfixes -------- -.. amalgamate:: Workbench/Bugfixes +- Fixed a bug where right-clicking a 3D plot to change the colour bar scale could toggle the zoom tool. +- Fixed issue with dragging text onto the plot: Previously, dragging invalid text onto the plot resulted in unexpected behavior Now, when invalid text is dragged onto the plot, a warning is displayed to the user indicating that the workspace is invalid. +- Creating a script from a workspace's history, where that history includes algorithms using `StoreInADS=False`, should now create a functioning script. +- Fixed error that appered when editing the y-axis of plots generated in a python script within Workbench +- Fixed a bug where editing plot settings could reorder the line order. +- Fixed error when plotting a histogram of live data. +- Fixed crash when attempting to plot data with negative error values. +- Fixed key shortcuts `k` and `l` in mantid plot for quickly switching between `linear` and `log` scales. +- Disabled the broken Linear/Log context menu when right clicking on the colour bar of a 3D surface plot. The menu is now only accessible by right clicking inside the plot axes, which is consistent with other types of plotting (colorfill and contour). +- Fixed error when cropping a workspace after using the ``Plot All`` button +- Legend in plots is no longer accidentally picked up by a mouse scroll +- Fixed bug where the TOF converter window was not displaying properly on high resolution screens. InstrumentViewer @@ -20,11 +41,14 @@ InstrumentViewer New features ############ -.. amalgamate:: Workbench/InstrumentViewer/New_features + Bugfixes ############ -.. amalgamate:: Workbench/InstrumentViewer/Bugfixes +- Fixed a bug where opening the instrument viewer with old muon data (DEVA) would cause a crash. +- Fixed drawing artifacts appearing (in some cases) when zooming in on the Instrument View with a 2D projection +- Fixed crash when selecting multiple ROI banks +- Fixed crash in the instrument view when trying to overlay peaks that do not have a corresponding detector. SliceViewer @@ -32,11 +56,12 @@ SliceViewer New features ############ -.. amalgamate:: Workbench/SliceViewer/New_features + Bugfixes ############ -.. amalgamate:: Workbench/SliceViewer/Bugfixes +- Fixed issue causing unhandled exception when changing normalisation with the "gist_rainbow" colourmap. +- A warning will now be displayed if a workspace with unordered spectrum numbers is opened in the :ref:sliceviewer. These workspaces can fail to display correctly and may result in errors. :ref:`Release 6.11.0 ` \ No newline at end of file diff --git a/docs/source/release/v6.11.0/muon.rst b/docs/source/release/v6.11.0/muon.rst index 5f55449fa1c2..ced6eae89774 100644 --- a/docs/source/release/v6.11.0/muon.rst +++ b/docs/source/release/v6.11.0/muon.rst @@ -11,7 +11,7 @@ Frequency Domain Analysis Bugfixes ############ -.. amalgamate:: Muon/FDA/Bugfixes + Muon Analysis @@ -19,7 +19,7 @@ Muon Analysis Bugfixes ############ -.. amalgamate:: Muon/Muon_Analysis/Bugfixes + Muon Analysis and Frequency Domain Analysis @@ -27,7 +27,7 @@ Muon Analysis and Frequency Domain Analysis Bugfixes ############ -.. amalgamate:: Muon/MA_FDA/Bugfixes + ALC @@ -35,7 +35,7 @@ ALC Bugfixes ############ -.. amalgamate:: Muon/ALC/Bugfixes +- Fixed the `Import results` option on the :ref:`Muon ALC ` interface when the results being loaded are only partially complete. Elemental Analysis @@ -43,7 +43,7 @@ Elemental Analysis Bugfixes ############ -.. amalgamate:: Muon/Elemental_Analysis/Bugfixes + Algorithms @@ -51,6 +51,6 @@ Algorithms Bugfixes ############ -.. amalgamate:: Muon/Algorithms/Bugfixes + :ref:`Release 6.11.0 ` \ No newline at end of file diff --git a/docs/source/release/v6.11.0/reflectometry.rst b/docs/source/release/v6.11.0/reflectometry.rst index 54de31f55897..a4aa801f8365 100644 --- a/docs/source/release/v6.11.0/reflectometry.rst +++ b/docs/source/release/v6.11.0/reflectometry.rst @@ -7,10 +7,14 @@ Reflectometry Changes New Features ------------ -.. amalgamate:: Reflectometry/New_features +- New algorithm :ref:`algm-PolarizationEfficienciesWildes` has been added for calculating the efficiencies of the polarizing components of an instrument with two flippers. This algorithm implements the approach from the A. R. Wildes 2006 paper. Bugfixes -------- -.. amalgamate:: Reflectometry/Bugfixes +- Fix an issue that prevented the StitchIDMany algorithm from running successfully via the GUI. +- The orsopy library has been updated to version 1.2.1. This pulls in a bug fix where multi-dataset reduced reflectivity .ort files with different column headers for different datasets would use only the headers for the first dataset throughout the file. +- Fix a bug where :ref:`algm-ReflectometryReductionOneLiveData` was not applying polarization corrections because it did not handle WorkspaceGroup inputs correctly. +- When on IDAaaS, only runs that are available in the ISIS Instrument Data Cache will appear in the ``Search Runs`` + section of the :ref:`Runs tab ` when the ``Search Data Archive`` setting is set to ``Off``. :ref:`Release 6.11.0 ` \ No newline at end of file diff --git a/docs/source/release/v6.11.0/sans.rst b/docs/source/release/v6.11.0/sans.rst index 9d9c04715a2f..325b915cd9d8 100644 --- a/docs/source/release/v6.11.0/sans.rst +++ b/docs/source/release/v6.11.0/sans.rst @@ -7,10 +7,16 @@ SANS Changes New Features ------------ -.. amalgamate:: SANS/New_features +- The :ref:`compatibility_mode` feature in the ISIS SANS GUI is no longer selected by default. This feature should be considered deprecated and will be removed completely in a future release. +- Added algorithm for calculating the efficiency of a polariser. Bugfixes -------- -.. amalgamate:: SANS/Bugfixes +- Fix the calculation in algorithm :ref:`algm-HeliumAnalyserEfficiency` to calculate the efficiency using the mid-point of the wavelength bins. The error calculation now also propagates the uncertainty in the wavelength. +- Event binning tooltips have been improved to clarify :ref:`compatibility_mode` and the effect of leaving the text entry blank. +- The plot results checkbox is now hidden by default to prevent issues when both scaling and plot results are enabled. You can enable it via your properties file if needed. This change will help us decide whether to keep it hidden or fix the underlying issue. +- The ``Optimize Event Slices`` checkbox has been removed from the ``General, Scale, Event Slice, Sample`` settings on + the ISIS SANS :ref:`ISIS_SANS_Settings_Tab-ref` menu to avoid an issue with the ``SANSSingleReduction2`` algorithm + not working. :ref:`Release 6.11.0 ` \ No newline at end of file From 2a36f9d0e45ce7815f419313c4f54986b5ab89aa Mon Sep 17 00:00:00 2001 From: Gui Pereira Date: Wed, 2 Oct 2024 12:54:10 +0100 Subject: [PATCH 02/28] Edit diffraction.rst --- docs/source/release/v6.11.0/diffraction.rst | 60 ++++++++++----------- 1 file changed, 30 insertions(+), 30 deletions(-) diff --git a/docs/source/release/v6.11.0/diffraction.rst b/docs/source/release/v6.11.0/diffraction.rst index 2061be958664..bcbc064e8757 100644 --- a/docs/source/release/v6.11.0/diffraction.rst +++ b/docs/source/release/v6.11.0/diffraction.rst @@ -10,33 +10,29 @@ Powder Diffraction New features ############ -- Added option to :ref:`AlignAndFocusPowder ` to support logarithmic compression -- :ref:`LoadEventAndCompress ` has been updated to take advantage of new capability in LoadEventNexus -- Add a minimum signal-to-sigma post-fitting check to :ref:`FitPeaks ` and :ref:`PDCalibration `, where peaks with a signal below the provided threshold will be rejected. -- Add option ``fit_prompt_pulse`` to HRPD (ISIS) reduction to fit and subtract prompt pulse (as opposed to default method of masking of prompt pulse in TOF). -- :ref:`AlignAndFocusPowderFromFiles ` has been updated to take advantage of new capability in :ref:`LoadEventNexus ` and :ref:`AlignAndFocusPowder ` -- :ref:`SNSPowderReduction ` has been updated to take advantage of new capabilities in :ref:`AlignAndFocusPowderFromFiles ` and :ref:`AlignAndFocusPowder ` +- Algorithm :ref:`AlignAndFocusPowder ` now supports logarithmic compression. +- Algorithm :ref:`AlignAndFocusPowderFromFiles ` now takes advantage of new compression technique in :ref:`LoadEventNexus ` and :ref:`AlignAndFocusPowder ` +- Algorithm :ref:`SNSPowderReduction ` now takes advantage of new compression technique in :ref:`AlignAndFocusPowderFromFiles ` and :ref:`AlignAndFocusPowder ` +- Algorithm :ref:`LoadEventAndCompress ` now takes advantage of new compression technique in :ref:`LoadEventNexus `. +- Algorithms :ref:`FitPeaks ` and :ref:`PDCalibration ` now do a check after the fit for the minimum signal-to-sigma ratio, where peaks with a signal below the provided threshold will be rejected. +- :ref:`HRPD reduction script ` now supports boolean option ``fit_prompt_pulse`` to fit and subtract prompt pulse (as opposed to default method of masking of prompt pulse in TOF). + You can either specify this option in the configuration file or in ``hrpd.HRPD(fit_prompt_pulse=True)``. Bugfixes ############ -- Fix bug where compression isn't run when logarithmic is selected in :ref:`AlignAndFocusPowder ` -- Refine error message when applying absorption correction with missing sample details in powder diffraction scripts -- Fix bug in :ref:`DiffractionFocussing ` not properly accumulating data when :ref:`CompressEvents ` prior to it in ``PreserveEvents=False`` mode -- Defect since 6.9.0: fix bug in PDCalibration where input pixels with empty event lists were no longer being masked -- Fix bug in the calibration diagnostics plotting where the solid angle of detectors were not extracted successfully -- Fix bug in POLARIS (ISIS) routine ``create_total_scattering_pdf`` causing unhandled error when calculating cross-sections of multi-atom unit cells for pdf normalisation. - +- Algorithm :ref:`AlignAndFocusPowder ` now runs compression when logarithmic is selected. +- Applying absorption correction with missing sample details in :ref:`powder diffraction scripts ` now displays a clearer error message. +- Algorithm :ref:`DiffractionFocussing ` is now properly accumulating data when :ref:`CompressEvents ` is run prior to it in ``PreserveEvents=False`` mode. +- Algorithm :ref:`PPDCalibration ` is once again masking input pixels with empty event lists (bug was present since 6.9.0). +- :ref:`Calibration Diagnostics ` plotting now successfully extraacts the solid angle of detectors. +- :ref:`Polaris diffraction <_isis-powder-diffraction-polaris-ref>` routine ``create_total_scattering_pdf`` no longer causes unhandled error when calculating cross-sections of multi-atom unit cells for pdf normalisation. Engineering Diffraction ----------------------- -New features -############ - - Bugfixes ############ -- Fixed a crash in :ref:`Fitting tab ` of :ref:`Engineering Diffraction interface` when a fit is re-run for a function like PseudoVoigt that contains FWHM parameter as the peak function. +- :ref:`Fitting tab ` of :ref:`Engineering Diffraction interface` no longer crashes when a fit is re-run for a function like PseudoVoigt that contains FWHM parameter as the peak function. Single Crystal Diffraction @@ -44,24 +40,28 @@ Single Crystal Diffraction New features ############ -- Improve determination of background bins by minimising third-moment (skew) in :ref:`IntegratePeaksSkew ` by forcing skew > 0 (minimum skew would expect in background) -- Add cabability to not integrate peaks which include a masked detector in the following algorithms +- :ref:`IntegratePeaksSkew ` is better at determining background bins by minimising third-moment (skew). + This is achieved by forcing skew > 0 (minimum skew we would expect in background). +- New cabability not to integrate peaks that include a masked detector in the following algorithms: - :ref:`IntegratePeaksSkew ` - :ref:`IntegratePeaksShoeboxTOF ` - :ref:`IntegratePeaks1DProfile ` -- Add method ``find_consistent_ub`` to ISIS single-crystal reduction classes to find a UB that preserves indexing given a reference workspace (at different goniometer angle(s)) -- Add method ``optimize_goniometer_axis`` to ISIS single-crystal reduction classes to optimise the goniometer axes and angles given a sequence of workspaces at different goniometer angle with consistent UBs -- Update to algorithm :ref:`AddAbsorptionWeightedPathLengths ` that now allows lean peaks to be used. There is also an option to apply the correction. + +- ISIS single-crystal reduction classes now have method ``find_consistent_ub`` to find a UB that preserves indexing given a reference workspace (at different goniometer angle(s)). +- ISIS single-crystal reduction classes now have method ``optimize_goniometer_axis`` to optimise the goniometer axes and angles given a sequence of workspaces at different goniometer angle with consistent UBs. +- ISIS single-crystal reduction classes now have mehtod `calc_absorption_weighted_path_lengths` that calculates tbar for each peak (saved in a column of the table) and optionally apply an attenuation correction to the integrated intensity of each peak. + By default the correction will be applied if class has property ``scale_integrated = True``) +- Algorithm :ref:`AddAbsorptionWeightedPathLengths ` now allows lean peaks to be used. + There is also an option to apply the correction. - New algorithm :ref:`FindMultipleUMatrices ` to find multiple UB matrices (given lattice parameters) for sample with multiple domains or spurious peaks. -- Add method `calc_absorption_weighted_path_lengths` to ISIS single-crystal reduction classes that calculate tbar for each peak (saved in a column of the table) and optionally apply an attenuation correction to the integrated intensity of each peak. By default the correction will be applied if class has property scale_integrated = True) -- A new output property, ``Cells``, has been added to :ref:`ShowPossibleCells ` that includes the cell information in a usable way -- New algorithm :ref:`SaveMDHistoToVTK ` that saves a MDHistoWorkspace as a VTK file so that it can be visualized by Paraview. -- Improve shoebox position optimisation in :ref:`IntegratePeaks1DProfile ` - would previously be centred on nearby stronger peaks if present. +- Algorithm :ref:`ShowPossibleCells ` now has a new output property, ``Cells``, that includes the cell information in a usable way. +- New algorithm :ref:`SaveMDHistoToVTK ` that saves a :ref:`MDHistoWorkspace ` as a ``VTK`` file so that it can be visualized by ``Paraview``. +- :ref:`IntegratePeaks1DProfile ` has improved optimisation for shoebox position - would previously be centred on nearby stronger peaks if present. Bugfixes ############ -- :ref:`LoadWANDSCD ` now keeps the sgl/sgu angles set by the goniometer -- :ref:`ConverWANDSCDToQ ` simplifies the underlying code by using histograms directly +- :ref:`LoadWANDSCD ` now keeps the sgl/sgu angles set by the goniometer. +- :ref:`ConverWANDSCDToQ ` simplifies the underlying code by using histograms directly. -:ref:`Release 6.11.0 ` \ No newline at end of file +:ref:`Release 6.11.0 ` From 3243e92b4893fd45da019c2f99ba5eb87af768c1 Mon Sep 17 00:00:00 2001 From: Gui Pereira Date: Wed, 2 Oct 2024 13:27:14 +0100 Subject: [PATCH 03/28] Edit direct_geometry.rst --- .../release/v6.11.0/direct_geometry.rst | 37 +++++-------------- 1 file changed, 9 insertions(+), 28 deletions(-) diff --git a/docs/source/release/v6.11.0/direct_geometry.rst b/docs/source/release/v6.11.0/direct_geometry.rst index e435f7d40c06..ed94412cbdd3 100644 --- a/docs/source/release/v6.11.0/direct_geometry.rst +++ b/docs/source/release/v6.11.0/direct_geometry.rst @@ -10,46 +10,27 @@ General New features ############ -- SaveNXSPE now stores the run number of the input workspace in the instrument section. +- :ref:`SaveNXSPE fixed_energy as before, while if detectors have different analyzer's energies, - array of the energies is written into NXSPE_info->fixed_energy field of nxspe file. - Also for Indirect instrument, no "fermi" field is added to the "instrument" folder. - - The algorithm have been also modified so if Ei is provided as the propery value, - it always overrides the values, retrieved from the workspace. + For Indirect instruments it also saves ``efixed`` taken from detector's crystal analyzer properties. + If all crystal analyzers have the same energy, a single ``efixed`` is written into NXSPE_info->fixed_energy as before, + while if detectors have different analyzer's energies an array of the energies is written into NXSPE_info->fixed_energy field of the ``.nxspe`` file. + Also for Indirect instruments, no ``fermi`` field is added to the ``instrument`` folder. + The algorithm has also been modified so if ``Ei`` is provided as the propery value it always overrides the values retrieved from the workspace. Bugfixes ############ -- Fixed a crash on ALFView when moving the cursor over the Instrument View while loading data. -- Random phase values are no longer used on Merlin when using :ref:`PyChop` with instrument scientist mode disabled. +- :ref:`ALFView ` not longer crashs when moving the cursor over the Instrument View while loading data. +- :ref:`PyChop` no longer uses random phase values on Merling when instrument scientist mode disabled. CrystalField ------------- -New features -############ - - Bugfixes ############ - The method `cf.getMagneticMoment()` no longer ignores the `Hmag` field, which is now correctly considered in the calculations of the magnetic moment. -MSlice ------- - -New features -############ - - -Bugfixes -############ - - - -:ref:`Release 6.11.0 ` \ No newline at end of file +:ref:`Release 6.11.0 ` From e6fd9638082fbd862c9ee499ff290a8ec55161a5 Mon Sep 17 00:00:00 2001 From: Gui Pereira Date: Wed, 2 Oct 2024 14:15:40 +0100 Subject: [PATCH 04/28] Edit framework.rst --- docs/source/release/v6.11.0/framework.rst | 106 ++++++++++------------ 1 file changed, 50 insertions(+), 56 deletions(-) diff --git a/docs/source/release/v6.11.0/framework.rst b/docs/source/release/v6.11.0/framework.rst index d194bddd67d0..43a0f261e942 100644 --- a/docs/source/release/v6.11.0/framework.rst +++ b/docs/source/release/v6.11.0/framework.rst @@ -10,72 +10,69 @@ Algorithms New features ############ -- H5 exceptions are now caught with improved error reporting. -- :ref:`algm-Load` will now give a warning if the extension specified on the filename, eg. `MUSR15189.txt`, is not found. +- Errors due to H5 file exceptions are now caught with improved error reporting. +- Algorithm :ref:`algm-Load` will now give a warning if the extension specified on the filename, eg. `MUSR15189.txt`, is not found. Loading files from interfaces or other algorithms should also give this warning. The algorithm will still load the file by looking for other extensions, as was the case before. -- New version 2 of :ref:`GenerateGroupingPowder ` that will save the grouping file with groups starting at 1 instead of 0 to make them consisted with ``GroupingWorkspace``. The ``FileFormat`` parameter has also been removed as it will now be determined from the extension of ``GroupingFilename``. -- Implemented the :ref:`FilterBadPulses ` functionality in :ref:`LoadEventNexus `, adding the new ``FilterBadPulsesLowerCutoff`` parameter. -- A new ``SpinStates`` property has been added to :ref:`algm-PolarizationCorrectionWildes` and - :ref:`algm-PolarizationEfficiencyCor` to allow the order of the workspaces in the output Workspace Group to be set. -- Improve time-scaling performance of CombineDiffCal, and add extra validations. -- Add support for :ref:`Ragged Workspaces ` to :ref:`CompareWorkspaces `. -- Add a new method to :ref:`CompressEvents ` that will compress events without sorting first. This will be faster when there is a large density of events. -- Add support for :ref:`Ragged Workspaces ` to binary operations. :ref:`Plus `, :ref:`Minus `, :ref:`Divide ` and :ref:`Multiply `. -- Add OutputSuffix parameter to :ref:`ISISIndirectEnergyTransfer ` algorithm that will append a suffix to the end of output workspace names. -- Added a load compression parameter ``MinSizeCompressOnLoad`` for ref: :ref:`AlignAndFocusPowderFromFiles ` and ref: :ref:`SNSPowderReduction ` -- Changed use of `scipy.interpolate.interp2d` in `NMoldyn4Interpolation` to use `scipy.interpolate.RectBivariateSpline`, since `interp2d` has been removed in version 1.14 of `scipy`. See reference documentation here (https://docs.scipy.org/doc/scipy/reference/generated/scipy.interpolate.interp2d.html) -- Add support for a radial collimator in :ref:`DiscusMultipleScatteringCorrection ` algorithm that restricts scatter points within a small region within the larger sample volume. The algorithm was modified to assign zero weight to tracks where the final scatter is not in a position that allows the final track segment to pass through the collimator toward detectors. -- New version 2 of :ref:`LoadEventAsWorkspace2D ` that adds FilterByTime functionality. -- Created new algorithm :ref:`ScaleInstrumentComponent ` to scale all detectors in an instrument component around the component's geometrical position. -- Implemented an alternative input option :ref:`InstrumentDefinitionFile` in :ref:`GenerateGroupingSNSInelastic `, selecting the new ``InstrumentDefinitionFile`` option in instrument drop down menu will create a new field allowing users selecting older instrument definition files. -- add flag "CheckUncertainty" to :ref:`CompareWorkspaces ` to turn off comparing the y-value uncertainties. +- Algorithm :ref:`GenerateGroupingPowder ` now has a newer version 2 that will save the grouping file with groups starting at 1 instead of 0 to make them consisted with ``GroupingWorkspace``. + The ``FileFormat`` parameter has also been removed as it will now be determined from the extension of ``GroupingFilename``. +- Algorithm :ref:`LoadEventNexus ` now has a new ``FilterBadPulsesLowerCutoff`` parameter that implements the functionality of :ref:`FilterBadPulses `. +- Algorithm :ref:`algm-PolarizationCorrectionWildes` and :ref:`algm-PolarizationEfficiencyCor` have new property ``SpinStates`` to allow the order of the workspaces in the output Workspace Group to be set. +- Algoritm :ref:`algm-CombineDiffCal` has improved time-scaling performance and new extra validations. +- Algorithm :ref:`CompareWorkspaces ` now supports :ref:`Ragged Workspaces `. +- Binary operations :ref:`Plus `, :ref:`Minus `, :ref:`Divide ` and :ref:`Multiply ` now support :ref:`Ragged Workspaces `. +- Algorithm :ref:`CompressEvents ` now has new property ``SortFirst`` that controls whether sorting first happens for compress events. + If ``SortFirst=False`` then a different method, that will not sort events first, will be used to compress events which is faster when you have a large number of events per compress tolerance. +- Algorithm :ref:`ISISIndirectEnergyTransfer ` has new property ``OutputSuffix`` that will append a suffix to the end of output workspace names. +- Algorithms :ref:`AlignAndFocusPowderFromFiles ` and ref: :ref:`SNSPowderReduction ` have new property ``MinSizeCompressOnLoad`` for specifying load compression. +- Algorithm `` now uses `scipy.interpolate.RectBivariateSpline` instead of `scipy.interpolate.interp2d`, since `interp2d` has been removed in version 1.14 of `scipy`. + See reference documentation here (https://docs.scipy.org/doc/scipy/reference/generated/scipy.interpolate.interp2d.html). +- Algorithm :ref:`DiscusMultipleScatteringCorrection ` now supports a radial collimator that restricts scatter points within a small region within the larger sample volume. + The algorithm was modified to assign zero weight to tracks where the final scatter is not in a position that allows the final track segment to pass through the collimator toward detectors. +- Algorithm :ref:`LoadEventAsWorkspace2D ` has new version 2 that adds property ``FilterByTime``. +- New algorithm :ref:`ScaleInstrumentComponent ` to scale all detectors in an instrument component around the component's geometrical position. +- Algorithm :ref:`GenerateGroupingSNSInelastic ` has new input option :ref:`InstrumentDefinitionFile`. + Selecting the new ``InstrumentDefinitionFile`` option in instrument drop down menu will create a new field allowing users selecting older instrument definition files. +- Algorithm :ref:`CompareWorkspaces ` has new property ``CheckUncertainty`` to turn off comparing the y-value uncertainties. +- Algorithm :ref:`ScaleX ` is now 95% faster when using the ``InstrumentParameter`` property. Bugfixes ############ -- Modify :ref:`LoadEventNexus ` so the minimum histogram bin edge is equal to the lowest time-of-flight event rather than one less. The effect is that there is no longer negative bin edges unless there is actually a negative time-of-flight in the data. -- Updated isotope densities, see https://pypi.org/project/periodictable/1.6.1/#history for notes about the updates from NIST -- Remove reference to `numpy.distutils` in `IntegratePeaks1DProfile`, since as of NumPy 1.23.0 it is deprecated. -- The :ref:`ScaleX ` algorithm has had a 95% speedup when using the "InstrumentParameter" property. -- Fixed bug when all sample times are before 01/01/1991 -- Fixed an unreliable segmentation fault in the :ref:`ExtractFFTSpectrum ` algorithm. -- The :ref:`LoadIsawUB ` algorithm now correctly adds the UB to the first experiment info when the input workspace has more than one. -- :ref:`SaveNexusProcessed ` and :ref:`LoadNexusProcessed ` has been fixed to correctly work with :ref:`Ragged Workspaces `. +- Algorithm :ref:`LoadEventNexus ` now has minimum histogram bin edge equal to the lowest time-of-flight event rather than one less. + The effect is that there is no longer negative bin edges unless there is actually a negative time-of-flight in the data. +- Isotope densities have been updated, see https://pypi.org/project/periodictable/1.6.1/#history for notes about the updates from NIST. +- Algorithm `IntegratePeaks1DProfile ` no longer references `numpy.distutils`, since as of NumPy 1.23.0 it is deprecated. +- All sample times are now allowed to be before 01/01/1991. +- Algorithm :ref:`ExtractFFTSpectrum ` no longer causes an unreliable segmentation fault. +- Algorithm :ref:`LoadIsawUB ` now correctly adds the UB to the first experiment info when the input workspace has more than one. +- Algorithms :ref:`SaveNexusProcessed ` and :ref:`LoadNexusProcessed ` have been fixed to correctly work with :ref:`Ragged Workspaces `. Removed ####### -- The SaveDiffFittingAscii algorithm was deprecated in :ref:`Release 3.13.0 ` and has now been removed. Use :ref:`EnggSaveSinglePeakFitResultsToHDF5 ` instead. -- The AddNote algorithm was deprecated in :ref:`Release 3.6.0 ` and has now been removed. Please use :ref:`Comment ` instead. -- The FilterEventsByLogValuePreNexus algorithm was deprecated in 2014 and has now been removed. -- The FindUBUsingMinMaxD algorithm was deprecated in 2013 and has now been removed. Use :ref:`FindUBUsingFFT` instead. -- The ConvertEmptyToTof algorithm was deprecated in :ref:`Release 3.9.0 ` and has now been removed. -- The RecordPythonScript algorithm was deprecated in :ref:`Release 5.1.0 ` and has now been removed. Use :ref:`GeneratePythonScript` instead. -- The CheckWorkspacesMatch algorithm was deprecated in :ref:`Release 3.9.0 ` and has now been removed. Use :ref:`CompareWorkspaces` instead. +- Algorithm SaveDiffFittingAscii was deprecated in :ref:`Release 3.13.0 ` and has now been removed. Use :ref:`EnggSaveSinglePeakFitResultsToHDF5 ` instead. +- Algorithm AddNote was deprecated in :ref:`Release 3.6.0 ` and has now been removed. Please use :ref:`Comment ` instead. +- Algorithm FilterEventsByLogValuePreNexus was deprecated in 2014 and has now been removed. +- Algorithm FindUBUsingMinMaxD was deprecated in 2013 and has now been removed. Use :ref:`FindUBUsingFFT` instead. +- Algorithm ConvertEmptyToTof was deprecated in :ref:`Release 3.9.0 ` and has now been removed. +- Algorithm RecordPythonScript was deprecated in :ref:`Release 5.1.0 ` and has now been removed. Use :ref:`GeneratePythonScript` instead. +- Algorithm CheckWorkspacesMatch was deprecated in :ref:`Release 3.9.0 ` and has now been removed. Use :ref:`CompareWorkspaces` instead. Fit Functions ------------- New features ############ -- Added the :ref:`PearsonIV ` fit function to model prompt pulses. -- Added the :ref:`SpinDiffusion ` fit function in the Muon category. - -Bugfixes -############ - +- Function :ref:`PearsonIV ` now available to fit model prompt pulses. +- Function :ref:`SpinDiffusion ` now available in the Muon category. Data Objects ------------ -New features -############ - - Bugfixes ############ - Added a `+ 1` to `EventWorkspace::sortAll` to prevent grainsize from being 0. -- Loading ``ENGIN-X`` data on IDAaaS from the instrument data cache no longer throws a "path not found" error. +- Loading ``ENGIN-X`` data on IDAaaS from the instrument data cache no longer throws a ``path not found`` error. Python @@ -83,13 +80,9 @@ Python New features ############ -- Creates documentation for :mod:`mantid.dataobjects` python bindings -- Fix python fuction ``assert_almost_equal`` to fail for non-equal workspaces -- The python function ``assert_almost_equal`` for testing if two modules are within a tolerance was reworked - -Bugfixes -############ - +- Creates documentation for :mod:`mantid.dataobjects` python bindings. +- Fix python fuction ``assert_almost_equal`` to fail for non-equal workspaces. +- The python function ``assert_almost_equal`` for testing if two modules are within a tolerance was reworked. Dependencies @@ -97,17 +90,18 @@ Dependencies New features ############ -- Updated compiler on Linux to gcc version 12, which should improve performance in some circumstances -- Changing from ``Poco::File`` to ``std::filesystem`` in the Kernel module. There will be no noticeable effect to the users. +- Linux compiler has been updated to gcc version 12, which should improve performance in some circumstances. +- Usage of ``Poco::File`` was changed to ``std::filesystem`` in the Kernel module. There will be no noticeable effect to the users. Bugfixes ############ -- Add a run constraint to the mantid package to constrain the optional matplotlib dependency to v3.7. Previously it was possible to install any version of matplotlib alongside mantid in a conda environment, but we cannot guarantee compatibility for any version other than 3.7. -- Allow versions of `pycifrw` greater than 4.4.1 +- Introduced a run constraint to the mantid package to constrain the optional matplotlib dependency to v3.7. + Previously it was possible to install any version of matplotlib alongside mantid in a conda environment, but we cannot guarantee compatibility for any version other than 3.7. +- Versions of `pycifrw` are now allowed to be greater than 4.4.1. MantidWorkbench --------------- See :doc:`mantidworkbench`. -:ref:`Release 6.11.0 ` \ No newline at end of file +:ref:`Release 6.11.0 ` From 3822a4b78d541985af81aaf5a386756023f32fda Mon Sep 17 00:00:00 2001 From: Gui Pereira Date: Wed, 2 Oct 2024 17:15:45 +0100 Subject: [PATCH 05/28] Edit indirect_geometry.rst --- .../source/release/v6.11.0/indirect_geometry.rst | 16 ++++------------ 1 file changed, 4 insertions(+), 12 deletions(-) diff --git a/docs/source/release/v6.11.0/indirect_geometry.rst b/docs/source/release/v6.11.0/indirect_geometry.rst index ce0617041825..034b41a9ac1c 100644 --- a/docs/source/release/v6.11.0/indirect_geometry.rst +++ b/docs/source/release/v6.11.0/indirect_geometry.rst @@ -5,27 +5,19 @@ Indirect Geometry Changes .. contents:: Table of Contents :local: -New Features ------------- - - Bugfixes -------- - Fixed a bug on the Energy Transfer tab of the :ref:`Indirect Data Reduction ` interface where the first raw file would be loaded into the ADS but never deleted. -- Fixed a bug where the spectra numbering for reduced files from the :ref:`Indirect Data Reduction ` interface was not consistent for a summed file reduction compared to individual file reduction. -- Fixed a crash on the :ref:`interface-indirect-simulation` interface after clicking "Run" without loading data. +- Reduced files from the :ref:`Indirect Data Reduction ` interface now have spectra numbering consistent for a summed file reduction compared to individual file reduction. +- :ref:`interface-indirect-simulation` interface no longer crashes after clicking "Run" without loading data. Algorithms ---------- -New features -############ - - Bugfixes ############ -- fix :ref:`CompareWorkspaces ` for relative differences of small values. +- Fix :ref:`CompareWorkspaces ` for relative differences of small values. -:ref:`Release 6.11.0 ` \ No newline at end of file +:ref:`Release 6.11.0 ` From 0b83345f58b8bef730eff23fb220609ab9cb3e97 Mon Sep 17 00:00:00 2001 From: Gui Pereira Date: Wed, 2 Oct 2024 17:49:57 +0100 Subject: [PATCH 06/28] Edit inelastic.rst --- docs/source/release/v6.11.0/inelastic.rst | 56 +++++++++++------------ 1 file changed, 28 insertions(+), 28 deletions(-) diff --git a/docs/source/release/v6.11.0/inelastic.rst b/docs/source/release/v6.11.0/inelastic.rst index 4cace0525054..9ec442db7878 100644 --- a/docs/source/release/v6.11.0/inelastic.rst +++ b/docs/source/release/v6.11.0/inelastic.rst @@ -7,35 +7,36 @@ Inelastic Changes New Features ------------ -- Add `Load Workspace History` option to the settings dialog for Indirect/Inelastic interfaces. -- It is possible to access the Slice Viewer or 3D Plot from the OutputPlot widget of the in :ref:`Elwin Tab ` of :ref:`Data Processor Interface ` for output workspaces containing more than 1 histogram. -- Added an option to "Tie Amplitudes" for two Lorentzians in the Convolution tab of the :ref:`Inelastic QENS Fitting ` interface. -- Added the ability to load `A0` fit parameter data into the `Function (Q)` tab of the :ref:`QENS Fitting ` interface. -- Add `Output Composite Members` option to I(Q, t) tab in :ref:`Inelastic QENS Fitting ` -- Rename tabs of :ref:`QENS Fitting ` from MSD Fit, I(Q,t) Fit, ConvFit and F(Q) to MSD, I(Q,t), Convolution and Function(Q) respectively. Add tooltip. -- Add option to not delete subtracted workspaces when adding new data in the :ref:`Container Subtraction ` tab of the Corrections interface. +- Indirect/Inelastic interfaces have new option `Load Workspace History` in the settings dialog. +- :ref:`Elwin Tab ` of :ref:`Data Processor Interface ` now allows to access the Slice Viewer or 3D Plot from the OutputPlot widget of the output workspaces containing more than 1 histogram. +- :ref:`Convolution ` tab of the :ref:`Inelastic QENS Fitting ` now has option ``Tie Amplitudes`` to tie two Lorentzians in the interface. +- `Function (Q)` tab of the :ref:`QENS Fitting ` now allows to load `A0` fit parameter data into the interface. +- I(Q, t) tab in :ref:`Inelastic QENS Fitting ` has new option `Output Composite Members`. +- Renamed tabs of :ref:`QENS Fitting ` from ``MSD Fit``, ``I(Q,t) Fit``, ``ConvFit`` and ``F(Q)`` to ``MSD``, ``I(Q,t)``, ``Convolution`` and ``Function(Q)`` respectively. Added tooltip. +- :ref:`Container Subtraction ` tab of the Corrections interface has new option not to delete subtracted workspaces when adding new data. Bugfixes -------- -- Fixed an 'index out of range' error in the :ref:`BayesQuasi ` algorithm when using a sample with a Numeric Axis. -- Fix a freeze in :ref:`Elwin Tab ` of :ref:`Data Processor Interface ` that happens when running the tab. -- Fix a crash in :ref:`Convolution ` :ref:`QENS Fitting interface ` interface when attempting to Fix all IsoDiffRot parameters from the EditLocalParameter dialog. -- fix comparison operation in ``ISISIndirectInelastic.OSIRISIqtAndIqtFitMulti`` system test by turning off uncertainty check, using absolute comparison, and adjusting the tolerance. -- If the ADS is cleared from workspaces that are used to run fits on an open :ref:`QENS Fitting interface `, a warning message pops up when clicking on the `Run` button. +- Algorithm :ref:`BayesQuasi ` not longer throws an ``index out of range`` error when using a sample with a Numeric Axis. +- :ref:`Elwin Tab ` of :ref:`Data Processor Interface ` not longer freezes when running the tab. +- :ref:`Convolution ` :ref:`QENS Fitting interface ` interface no longer crashes when attempting to Fix all ``IsoDiffRot`` parameters from the ``EditLocalParameter`` dialog. +- Fixed comparison operation in ``ISISIndirectInelastic.OSIRISIqtAndIqtFitMulti`` system test by turning off uncertainty check, using absolute comparison, and adjusting the tolerance. + This change does not affect general users. +- When the ADS is cleared from workspaces that are used to run fits on an open :ref:`QENS Fitting interface `, a warning message now pops up when clicking on the `Run` button. - Fixed a bug in the Monte Carlo error calculation on the I(Q, t) tab of the :ref:`Data Processor Interface ` where the first bin had an error of zero. -- Data unrestricted by suffix can be loaded on :ref:`Elwin Tab ` of the :ref:`Data Processor Interface ` if the option is selected from Settings. -- It is possible to see the Spectrum number 0 on the widget plot of the selected preview workspace on :ref:`Elwin interface ` -- Changing the preview spectrum above the plot widget combo box plots the correct spectrum for the selected index :ref:`Elwin interface ` -- Fix a bug in which sliders didn't respond to changes in `Emin` and `EMax` properties when changed from the property browser in the :ref:`Moments` tab of the :ref:`Data Processor ` interface. -- Fixed an invalid calculation of the EISF errors calculated on the Quasi tab of the :ref:`Inelastic Bayes fitting ` interface. -- Adding new data to the :ref:`Elwin data table ` after clearing the Analysis Data Service no longer raises a *No data found* warning. -- Mantid no longer crashes when trying to plot a preview of the selected workspace on the :ref:`Elwin tab ` after that workspace has been deleted from the ADS. -- Fix a cutoff issue with "Symmetric Energy Range" label in :ref:`Iqt` tab of the :ref:`Data Processor ` interface. +- :ref:`Elwin Tab ` of the :ref:`Data Processor Interface ` now supports loading data unrestricted by suffix if the option is selected from ``Settings``. +- :ref:`Elwin interface ` now allows to see the Spectrum number 0 on the widget plot of the selected preview workspace. +- :ref:`Elwin interface ` now plots the correct spectrum for the selected index when changing the preview spectrum above the plot widget combo box. +- :ref:`Moments` tab of the :ref:`Data Processor ` interface now have responsive sliders to changes in `Emin` and `EMax` properties when changed from the property browser. +- :ref:`Inelastic Bayes fitting ` interface now correctly calculates EISF errors on the Quasi tab. +- Adding new data to the :ref:`Elwin data table ` after clearing the Analysis Data Service no longer raises a ``No data found`` warning. +- Ploting a preview of the selected workspace on the :ref:`Elwin tab ` no longer crashes Mantid after that workspace has been deleted from the ADS. +- Fix a cutoff issue with ``Symmetric Energy Range`` label in :ref:`Iqt` tab of the :ref:`Data Processor ` interface. - The dialog window for adding data in the :ref:`Elwin Tab ` of the :ref:`Data Processor Interface ` no longer freezes when adding data. -- Fixed a crash on the Quasi tab of the :ref:`Inelastic Bayes Fitting ` interface caused by attempting to load a WorkspaceGroup rather than the expected Workspace2D. -- Prevented a crash on the Quasi tab of the :ref:`Inelastic Bayes Fitting ` interface caused by clicking `Run` before data has finished loading. -- Available fit functions in the `Function (Q)` tab of the :ref:`QENS Fitting ` interface are updated according to the type of data (`EISF`, `A0` or `Width`) loaded on the table. +- Quasi tab of the :ref:`Inelastic Bayes Fitting ` interface no longer crashes by attempting to load a WorkspaceGroup rather than the expected Workspace2D. +- Quasi tab of the :ref:`Inelastic Bayes Fitting ` interface no longer crashes by clicking `Run` before data has finished loading. +- Available fit functions in the `Function (Q)` tab of the :ref:`QENS Fitting ` interface are now updated according to the type of data (`EISF`, `A0` or `Width`) loaded on the table. Algorithms @@ -43,10 +44,9 @@ Algorithms New features ############ -- Add support for "high-precision" eigenvectors from GAUSSIAN in Abins/Abins2D algorithms. These are activated in GAUSSIAN with the ``freq(HPModes)`` parameter. In previous Mantid versions the Abins parser would fail to read the resulting files; now the high-precision values will be used. - -Bugfixes -############ +- Abins/Abins2D algorithms now support "high-precision" eigenvectors from GAUSSIAN. + These are activated in GAUSSIAN with the ``freq(HPModes)`` parameter. + In previous Mantid versions the Abins parser would fail to read the resulting files; now the high-precision values will be used. -:ref:`Release 6.11.0 ` \ No newline at end of file +:ref:`Release 6.11.0 ` From efb30f61089b0d051c78f7c9b057fb80d36e60f2 Mon Sep 17 00:00:00 2001 From: Gui Pereira Date: Wed, 2 Oct 2024 18:19:35 +0100 Subject: [PATCH 07/28] Edit mantidworkbench.rst --- .../release/v6.11.0/mantidworkbench.rst | 57 +++++++++---------- 1 file changed, 28 insertions(+), 29 deletions(-) diff --git a/docs/source/release/v6.11.0/mantidworkbench.rst b/docs/source/release/v6.11.0/mantidworkbench.rst index ac9a7575fa16..fc08122ac5f7 100644 --- a/docs/source/release/v6.11.0/mantidworkbench.rst +++ b/docs/source/release/v6.11.0/mantidworkbench.rst @@ -9,46 +9,44 @@ New Features ------------ - Updated compiler on macOS from clang version 15 to 16, which should result in performance improvements. - Clarified ``Report Usage Data`` checkbox on the Workbench About page to explain that usage reporting is required to use the Error Reporter. -- expose :class:`ConfigService::remove() ` to python API -- Handled error where parsing malformed XML code in the code editor caused mantid to crash. -- Force Style for QComboBoxes and text, in order to make text visible on OSX dark mode -- expose :class:`ConfigService::configureLogging() ` to python API -- expose :class:`ConfigService::getLogLevel() ` to python API -- fix handling of removed propertyies in :class:`ConfigService::saveConfig() ` -- Added a new :ref:`Deprecation Policy ` for Mantid. -- Added tooltips to the run and abort buttons, displaying their functionality and shortcut keys. Tooltips are displayed when hovering over the relevant buttons. -- Updated selection method to `ExtendedSelection `_ when adding workspaces to the sequential fit dialog. +- Exposed :class:`ConfigService::remove() ` to python API. +- Exposed :class:`ConfigService::configureLogging() ` to python API. +- Exposed :class:`ConfigService::getLogLevel() ` to python API. +- Fixed handling of removed propertyies in :class:`ConfigService::saveConfig() `. +- Text and QComboBoxes are now more readable on OSX dark mode. +- There is a new :ref:`Deprecation Policy ` for Mantid. +- ``Run`` and ``Abort`` buttons now display tooltips explaining their functionality and shortcut keys. + Tooltips are displayed when hovering over the relevant buttons. +- Sequential Fit Dialog has a new selection method to `ExtendedSelection `_ when adding workspaces. Bugfixes -------- -- Fixed a bug where right-clicking a 3D plot to change the colour bar scale could toggle the zoom tool. -- Fixed issue with dragging text onto the plot: Previously, dragging invalid text onto the plot resulted in unexpected behavior Now, when invalid text is dragged onto the plot, a warning is displayed to the user indicating that the workspace is invalid. +- Code editor no longer crashes due to parsing malformed XML code. +- Right-clicking on a 3D plot to change the colour bar scale no longer triggers the zoom tool. +- Dragging text onto a plot now displays a warning indicating that the workspace is invalid. - Creating a script from a workspace's history, where that history includes algorithms using `StoreInADS=False`, should now create a functioning script. -- Fixed error that appered when editing the y-axis of plots generated in a python script within Workbench -- Fixed a bug where editing plot settings could reorder the line order. -- Fixed error when plotting a histogram of live data. -- Fixed crash when attempting to plot data with negative error values. +- Editing the y-axis of plots generated in a python script within Workbench no longer causes an error. +- Editing plot settings no longer reorders the line order. +- Plotting a histogram of live data for frequent updates is now functioning. +- Ploting data with negative error values no longer causes a crash. - Fixed key shortcuts `k` and `l` in mantid plot for quickly switching between `linear` and `log` scales. -- Disabled the broken Linear/Log context menu when right clicking on the colour bar of a 3D surface plot. The menu is now only accessible by right clicking inside the plot axes, which is consistent with other types of plotting (colorfill and contour). -- Fixed error when cropping a workspace after using the ``Plot All`` button -- Legend in plots is no longer accidentally picked up by a mouse scroll +- Disabled the broken Linear/Log context menu when right clicking on the colour bar of a 3D surface plot. + The menu is now only accessible by right clicking inside the plot axes, which is consistent with other types of plotting (colorfill and contour). +- Cropping a workspace after using the ``Plot All`` button no longer causes an error. +- Legend in plots is no longer accidentally picked up by a mouse scroll. - Fixed bug where the TOF converter window was not displaying properly on high resolution screens. InstrumentViewer ---------------- -New features -############ - - Bugfixes ############ -- Fixed a bug where opening the instrument viewer with old muon data (DEVA) would cause a crash. -- Fixed drawing artifacts appearing (in some cases) when zooming in on the Instrument View with a 2D projection -- Fixed crash when selecting multiple ROI banks -- Fixed crash in the instrument view when trying to overlay peaks that do not have a corresponding detector. +- Opening the instrument viewer with old muon data (DEVA) no longer causes a crash. +- Zooming in on :ref:`Instrument View ` with a 2D projection no longer causes drawing artifacts. +- Fixed crash in the :ref:`Instrument View ` when trying to overlay peaks that do not have a corresponding detector. +- Fixed crash when selecting multiple ROI banks. SliceViewer @@ -60,8 +58,9 @@ New features Bugfixes ############ -- Fixed issue causing unhandled exception when changing normalisation with the "gist_rainbow" colourmap. -- A warning will now be displayed if a workspace with unordered spectrum numbers is opened in the :ref:sliceviewer. These workspaces can fail to display correctly and may result in errors. +- Changing normalisation with the ``gist_rainbow`` colourmap no longer causes an error. +- A warning will now be displayed if a workspace with unordered spectrum numbers is opened in the :ref:`Slice Viewer `. + These workspaces can fail to display correctly and may result in errors. -:ref:`Release 6.11.0 ` \ No newline at end of file +:ref:`Release 6.11.0 ` From 099b6f260a166e3c515e1f77eb794d1a30fe659f Mon Sep 17 00:00:00 2001 From: Gui Pereira Date: Wed, 2 Oct 2024 18:20:18 +0100 Subject: [PATCH 08/28] Edit muon.rst --- docs/source/release/v6.11.0/muon.rst | 41 +--------------------------- 1 file changed, 1 insertion(+), 40 deletions(-) diff --git a/docs/source/release/v6.11.0/muon.rst b/docs/source/release/v6.11.0/muon.rst index ced6eae89774..e15c26abc454 100644 --- a/docs/source/release/v6.11.0/muon.rst +++ b/docs/source/release/v6.11.0/muon.rst @@ -6,30 +6,6 @@ Muon Changes :local: -Frequency Domain Analysis -------------------------- - -Bugfixes -############ - - - -Muon Analysis -------------- - -Bugfixes -############ - - - -Muon Analysis and Frequency Domain Analysis -------------------------------------------- - -Bugfixes -############ - - - ALC --- @@ -38,19 +14,4 @@ Bugfixes - Fixed the `Import results` option on the :ref:`Muon ALC ` interface when the results being loaded are only partially complete. -Elemental Analysis ------------------- - -Bugfixes -############ - - - -Algorithms ----------- - -Bugfixes -############ - - -:ref:`Release 6.11.0 ` \ No newline at end of file +:ref:`Release 6.11.0 ` From 72cd651e3cf5b4e0752f875c4ccd954c8b23217c Mon Sep 17 00:00:00 2001 From: Gui Pereira Date: Wed, 2 Oct 2024 18:27:33 +0100 Subject: [PATCH 09/28] Edit reflectometry.rst --- docs/source/release/v6.11.0/reflectometry.rst | 15 +++++++++------ 1 file changed, 9 insertions(+), 6 deletions(-) diff --git a/docs/source/release/v6.11.0/reflectometry.rst b/docs/source/release/v6.11.0/reflectometry.rst index a4aa801f8365..0a17fe8ae48a 100644 --- a/docs/source/release/v6.11.0/reflectometry.rst +++ b/docs/source/release/v6.11.0/reflectometry.rst @@ -7,14 +7,17 @@ Reflectometry Changes New Features ------------ -- New algorithm :ref:`algm-PolarizationEfficienciesWildes` has been added for calculating the efficiencies of the polarizing components of an instrument with two flippers. This algorithm implements the approach from the A. R. Wildes 2006 paper. +- New algorithm :ref:`algm-PolarizationEfficienciesWildes` has been added for calculating the efficiencies of the polarizing components of an instrument with two flippers. + This algorithm implements the approach from the A. R. Wildes 2006 paper. Bugfixes -------- -- Fix an issue that prevented the StitchIDMany algorithm from running successfully via the GUI. -- The orsopy library has been updated to version 1.2.1. This pulls in a bug fix where multi-dataset reduced reflectivity .ort files with different column headers for different datasets would use only the headers for the first dataset throughout the file. -- Fix a bug where :ref:`algm-ReflectometryReductionOneLiveData` was not applying polarization corrections because it did not handle WorkspaceGroup inputs correctly. -- When on IDAaaS, only runs that are available in the ISIS Instrument Data Cache will appear in the ``Search Runs`` +- :ref:`Stitch1DMany ` algorithm now runs successfully via the GUI. +- The orsopy library has been updated to version 1.2.1. + This pulls in a bug fix where multi-dataset reduced reflectivity .ort files with different column headers for different datasets would use only the headers for the first dataset throughout the file. +- Algorithm :ref:`algm-ReflectometryReductionOneLiveData` now applies polarization corrections correctly on ``WorkspaceGroup`` inputs. +- When on IDAaaS, only runs that are available in the ISIS Instrument Data Cache will now appear in the ``Search Runs`` section of the :ref:`Runs tab ` when the ``Search Data Archive`` setting is set to ``Off``. -:ref:`Release 6.11.0 ` \ No newline at end of file + +:ref:`Release 6.11.0 ` From 4cbf609c9da8c6a42d05a26ba9cbc634597b5389 Mon Sep 17 00:00:00 2001 From: Gui Pereira Date: Wed, 2 Oct 2024 18:41:20 +0100 Subject: [PATCH 10/28] Edit sans.rst --- docs/source/release/v6.11.0/sans.rst | 14 +++++++++----- 1 file changed, 9 insertions(+), 5 deletions(-) diff --git a/docs/source/release/v6.11.0/sans.rst b/docs/source/release/v6.11.0/sans.rst index 325b915cd9d8..953ef0996712 100644 --- a/docs/source/release/v6.11.0/sans.rst +++ b/docs/source/release/v6.11.0/sans.rst @@ -7,16 +7,20 @@ SANS Changes New Features ------------ -- The :ref:`compatibility_mode` feature in the ISIS SANS GUI is no longer selected by default. This feature should be considered deprecated and will be removed completely in a future release. -- Added algorithm for calculating the efficiency of a polariser. +- The :ref:`compatibility_mode` feature in the :ref:`ISIS SANS GUI ` for calculating the efficiency of a polariser. Bugfixes -------- -- Fix the calculation in algorithm :ref:`algm-HeliumAnalyserEfficiency` to calculate the efficiency using the mid-point of the wavelength bins. The error calculation now also propagates the uncertainty in the wavelength. +- Fix the calculation in algorithm :ref:`algm-HeliumAnalyserEfficiency` to calculate the efficiency using the mid-point of the wavelength bins. + The error calculation now also propagates the uncertainty in the wavelength. - Event binning tooltips have been improved to clarify :ref:`compatibility_mode` and the effect of leaving the text entry blank. -- The plot results checkbox is now hidden by default to prevent issues when both scaling and plot results are enabled. You can enable it via your properties file if needed. This change will help us decide whether to keep it hidden or fix the underlying issue. +- The plot results checkbox is now hidden by default to prevent issues when both scaling and plot results are enabled. + You can enable it via your properties file if needed. + This change will help us decide whether to keep it hidden or fix the underlying issue. - The ``Optimize Event Slices`` checkbox has been removed from the ``General, Scale, Event Slice, Sample`` settings on the ISIS SANS :ref:`ISIS_SANS_Settings_Tab-ref` menu to avoid an issue with the ``SANSSingleReduction2`` algorithm not working. -:ref:`Release 6.11.0 ` \ No newline at end of file +:ref:`Release 6.11.0 ` From f4cded136d526f2911981f2daea5a9b0a2c931e9 Mon Sep 17 00:00:00 2001 From: GuiMacielPereira Date: Thu, 3 Oct 2024 11:14:56 +0100 Subject: [PATCH 11/28] Add images to diffraction.rst --- .../6_11_release/FindMultipleUMatrices.png | Bin 0 -> 67854 bytes .../6_11_release/improved_error_message.png | Bin 0 -> 4761 bytes 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new compression technique in :ref:`AlignAndFocusPowderFromFiles ` and :ref:`AlignAndFocusPowder ` - Algorithm :ref:`LoadEventAndCompress ` now takes advantage of new compression technique in :ref:`LoadEventNexus `. - Algorithms :ref:`FitPeaks ` and :ref:`PDCalibration ` now do a check after the fit for the minimum signal-to-sigma ratio, where peaks with a signal below the provided threshold will be rejected. -- :ref:`HRPD reduction script ` now supports boolean option ``fit_prompt_pulse`` to fit and subtract prompt pulse (as opposed to default method of masking of prompt pulse in TOF). +- :ref:`HRPD reduction scripts ` now support boolean option ``fit_prompt_pulse`` to fit and subtract prompt pulse (as opposed to default method of masking of prompt pulse in TOF). You can either specify this option in the configuration file or in ``hrpd.HRPD(fit_prompt_pulse=True)``. Bugfixes ############ - Algorithm :ref:`AlignAndFocusPowder ` now runs compression when logarithmic is selected. -- Applying absorption correction with missing sample details in :ref:`powder diffraction scripts ` now displays a clearer error message. +- Applying absorption correction with missing sample details in :ref:`powder diffraction scripts ` now displays a clearer error message: + +.. figure:: ../../images/6_11_release/improved_error_message.png + :width: 1000px + - Algorithm :ref:`DiffractionFocussing ` is now properly accumulating data when :ref:`CompressEvents ` is run prior to it in ``PreserveEvents=False`` mode. - Algorithm :ref:`PPDCalibration ` is once again masking input pixels with empty event lists (bug was present since 6.9.0). -- :ref:`Calibration Diagnostics ` plotting now successfully extraacts the solid angle of detectors. -- :ref:`Polaris diffraction <_isis-powder-diffraction-polaris-ref>` routine ``create_total_scattering_pdf`` no longer causes unhandled error when calculating cross-sections of multi-atom unit cells for pdf normalisation. +- :ref:`Calibration Diagnostics ` plotting now successfully extracts the solid angle of detectors. +- :ref:`Polaris diffraction ` routine ``create_total_scattering_pdf`` no longer causes unhandled error when calculating cross-sections of multi-atom unit cells for pdf normalisation. + Engineering Diffraction ----------------------- Bugfixes ############ -- :ref:`Fitting tab ` of :ref:`Engineering Diffraction interface` no longer crashes when a fit is re-run for a function like PseudoVoigt that contains FWHM parameter as the peak function. +- :ref:`Fitting tab ` of :ref:`Engineering Diffraction interface` no longer crashes when a fit is re-run for a function like ``PseudoVoigt`` that contains ``FWHM`` parameter as the peak function. Single Crystal Diffraction @@ -42,7 +47,12 @@ New features ############ - :ref:`IntegratePeaksSkew ` is better at determining background bins by minimising third-moment (skew). This is achieved by forcing skew > 0 (minimum skew we would expect in background). -- New cabability not to integrate peaks that include a masked detector in the following algorithms: + This change stops peak mask of :ref:`IntegratePeaksSkew ` including too many pixels due to small diffuse scattering: + +.. figure:: ../../images/6_11_release/single-crystal-peak-background-edited.png + :width: 500px + +- New option not to integrate peaks that include a masked detector in the following algorithms: - :ref:`IntegratePeaksSkew ` - :ref:`IntegratePeaksShoeboxTOF ` @@ -50,15 +60,26 @@ New features - ISIS single-crystal reduction classes now have method ``find_consistent_ub`` to find a UB that preserves indexing given a reference workspace (at different goniometer angle(s)). - ISIS single-crystal reduction classes now have method ``optimize_goniometer_axis`` to optimise the goniometer axes and angles given a sequence of workspaces at different goniometer angle with consistent UBs. -- ISIS single-crystal reduction classes now have mehtod `calc_absorption_weighted_path_lengths` that calculates tbar for each peak (saved in a column of the table) and optionally apply an attenuation correction to the integrated intensity of each peak. - By default the correction will be applied if class has property ``scale_integrated = True``) +- ISIS single-crystal reduction classes now have mehtod ``calc_absorption_weighted_path_lengths`` that calculates tbar for each peak (saved in a column of the table) and optionally apply an attenuation correction to the integrated intensity of each peak. + By default the correction will be applied if class has property ``scale_integrated = True``. - Algorithm :ref:`AddAbsorptionWeightedPathLengths ` now allows lean peaks to be used. There is also an option to apply the correction. - New algorithm :ref:`FindMultipleUMatrices ` to find multiple UB matrices (given lattice parameters) for sample with multiple domains or spurious peaks. + + - This algorithm will use the lattice parameters and spacegroup provided to optimise a number (NumberOfUBs) + of UB matrices (B is hard-coded due to the lattice parameters provided) and return a group of peak workspaces + one for each UB, containing the peaks that are indexed most accurately by that UB. + This algorithm is useful for finding a single UB in the presence of spurious peaks, or finding multiple UBs when there + are multiple domains. + + .. figure:: ../../images/6_11_release/FindMultipleUMatrices.png + :width: 500px + - Algorithm :ref:`ShowPossibleCells ` now has a new output property, ``Cells``, that includes the cell information in a usable way. - New algorithm :ref:`SaveMDHistoToVTK ` that saves a :ref:`MDHistoWorkspace ` as a ``VTK`` file so that it can be visualized by ``Paraview``. - :ref:`IntegratePeaks1DProfile ` has improved optimisation for shoebox position - would previously be centred on nearby stronger peaks if present. + Bugfixes ############ - :ref:`LoadWANDSCD ` now keeps the sgl/sgu angles set by the goniometer. From df009bae6c027ec221897c67bd4680f9a7671dd4 Mon Sep 17 00:00:00 2001 From: GuiMacielPereira Date: Thu, 3 Oct 2024 11:39:49 +0100 Subject: [PATCH 12/28] Fix warnings in building docs --- docs/source/release/v6.11.0/diffraction.rst | 4 ++-- docs/source/release/v6.11.0/direct_geometry.rst | 2 +- docs/source/release/v6.11.0/reflectometry.rst | 2 +- docs/source/release/v6.11.0/sans.rst | 2 +- 4 files changed, 5 insertions(+), 5 deletions(-) diff --git a/docs/source/release/v6.11.0/diffraction.rst b/docs/source/release/v6.11.0/diffraction.rst index 460472d36a2c..d07531297377 100644 --- a/docs/source/release/v6.11.0/diffraction.rst +++ b/docs/source/release/v6.11.0/diffraction.rst @@ -24,7 +24,7 @@ Bugfixes - Applying absorption correction with missing sample details in :ref:`powder diffraction scripts ` now displays a clearer error message: .. figure:: ../../images/6_11_release/improved_error_message.png - :width: 1000px + :width: 600px - Algorithm :ref:`DiffractionFocussing ` is now properly accumulating data when :ref:`CompressEvents ` is run prior to it in ``PreserveEvents=False`` mode. - Algorithm :ref:`PPDCalibration ` is once again masking input pixels with empty event lists (bug was present since 6.9.0). @@ -73,7 +73,7 @@ New features are multiple domains. .. figure:: ../../images/6_11_release/FindMultipleUMatrices.png - :width: 500px + :width: 400px - Algorithm :ref:`ShowPossibleCells ` now has a new output property, ``Cells``, that includes the cell information in a usable way. - New algorithm :ref:`SaveMDHistoToVTK ` that saves a :ref:`MDHistoWorkspace ` as a ``VTK`` file so that it can be visualized by ``Paraview``. diff --git a/docs/source/release/v6.11.0/direct_geometry.rst b/docs/source/release/v6.11.0/direct_geometry.rst index ed94412cbdd3..12f1b5e9870f 100644 --- a/docs/source/release/v6.11.0/direct_geometry.rst +++ b/docs/source/release/v6.11.0/direct_geometry.rst @@ -10,7 +10,7 @@ General New features ############ -- :ref:`SaveNXSPE ` now stores the run number of the input workspace in the instrument section. For Indirect instruments it also saves ``efixed`` taken from detector's crystal analyzer properties. If all crystal analyzers have the same energy, a single ``efixed`` is written into NXSPE_info->fixed_energy as before, diff --git a/docs/source/release/v6.11.0/reflectometry.rst b/docs/source/release/v6.11.0/reflectometry.rst index 0a17fe8ae48a..4977c7f25271 100644 --- a/docs/source/release/v6.11.0/reflectometry.rst +++ b/docs/source/release/v6.11.0/reflectometry.rst @@ -12,7 +12,7 @@ New Features Bugfixes -------- -- :ref:`Stitch1DMany ` algorithm now runs successfully via the GUI. +- :ref:`Stitch1DMany ` algorithm now runs successfully via the GUI. - The orsopy library has been updated to version 1.2.1. This pulls in a bug fix where multi-dataset reduced reflectivity .ort files with different column headers for different datasets would use only the headers for the first dataset throughout the file. - Algorithm :ref:`algm-ReflectometryReductionOneLiveData` now applies polarization corrections correctly on ``WorkspaceGroup`` inputs. diff --git a/docs/source/release/v6.11.0/sans.rst b/docs/source/release/v6.11.0/sans.rst index 953ef0996712..fa8426f0825b 100644 --- a/docs/source/release/v6.11.0/sans.rst +++ b/docs/source/release/v6.11.0/sans.rst @@ -7,7 +7,7 @@ SANS Changes New Features ------------ -- The :ref:`compatibility_mode` feature in the :ref:`ISIS SANS GUI ` is no longer selected by default. This feature should be considered deprecated and will be removed completely in a future release. - New algorithm :ref:`PolarizerEfficiency ` for calculating the efficiency of a polariser. 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zgQBGt`6~iwTf@rVxd{}}8aK-r?5C#ITuldG)IGAH&SmL4JU57@%l)?cnNvCJQkih( zB!kbalE?n>xGg(qUFqL~T2LRn6y*20sgbR(pn^JGd;9HWcOH2E6E_~a)D7&qrdZ#P zk^hH>%-ocSN;PT^GTUq;5UwgZfIQ`~n*Z^k-sNiK2TIcKA%|K+!^ey9Nuy_E&Ob|c BA&LM1 literal 0 HcmV?d00001 diff --git a/docs/source/release/v6.11.0/framework.rst b/docs/source/release/v6.11.0/framework.rst index 43a0f261e942..b9bfdf59f308 100644 --- a/docs/source/release/v6.11.0/framework.rst +++ b/docs/source/release/v6.11.0/framework.rst @@ -31,6 +31,10 @@ New features The algorithm was modified to assign zero weight to tracks where the final scatter is not in a position that allows the final track segment to pass through the collimator toward detectors. - Algorithm :ref:`LoadEventAsWorkspace2D ` has new version 2 that adds property ``FilterByTime``. - New algorithm :ref:`ScaleInstrumentComponent ` to scale all detectors in an instrument component around the component's geometrical position. + + .. figure:: ../../images/6_11_release/ScaleInstrumentComponent.png + :width: 400px + - Algorithm :ref:`GenerateGroupingSNSInelastic ` has new input option :ref:`InstrumentDefinitionFile`. Selecting the new ``InstrumentDefinitionFile`` option in instrument drop down menu will create a new field allowing users selecting older instrument definition files. - Algorithm :ref:`CompareWorkspaces ` has new property ``CheckUncertainty`` to turn off comparing the y-value uncertainties. @@ -80,7 +84,7 @@ Python New features ############ -- Creates documentation for :mod:`mantid.dataobjects` python bindings. +- Created documentation for :mod:`mantid.dataobjects` python bindings. - Fix python fuction ``assert_almost_equal`` to fail for non-equal workspaces. - The python function ``assert_almost_equal`` for testing if two modules are within a tolerance was reworked. From 92cc76f229e8a75c4380b25b04706d9794e47612 Mon Sep 17 00:00:00 2001 From: GuiMacielPereira Date: Mon, 7 Oct 2024 11:11:55 +0100 Subject: [PATCH 14/28] Changed place of CompareWorkspaces release note --- docs/source/release/v6.11.0/framework.rst | 1 + docs/source/release/v6.11.0/indirect_geometry.rst | 7 ------- 2 files changed, 1 insertion(+), 7 deletions(-) diff --git a/docs/source/release/v6.11.0/framework.rst b/docs/source/release/v6.11.0/framework.rst index b9bfdf59f308..566de52003c0 100644 --- a/docs/source/release/v6.11.0/framework.rst +++ b/docs/source/release/v6.11.0/framework.rst @@ -42,6 +42,7 @@ New features Bugfixes ############ +- Algorithm :ref:`CompareWorkspaces ` is now fixed for relative differences of small values. - Algorithm :ref:`LoadEventNexus ` now has minimum histogram bin edge equal to the lowest time-of-flight event rather than one less. The effect is that there is no longer negative bin edges unless there is actually a negative time-of-flight in the data. - Isotope densities have been updated, see https://pypi.org/project/periodictable/1.6.1/#history for notes about the updates from NIST. diff --git a/docs/source/release/v6.11.0/indirect_geometry.rst b/docs/source/release/v6.11.0/indirect_geometry.rst index 034b41a9ac1c..d7d48141c765 100644 --- a/docs/source/release/v6.11.0/indirect_geometry.rst +++ b/docs/source/release/v6.11.0/indirect_geometry.rst @@ -13,11 +13,4 @@ Bugfixes - :ref:`interface-indirect-simulation` interface no longer crashes after clicking "Run" without loading data. -Algorithms ----------- - -Bugfixes -############ -- Fix :ref:`CompareWorkspaces ` for relative differences of small values. - :ref:`Release 6.11.0 ` From 672d4117140e404e38a2c8e2e2d9b70410dbfeed Mon Sep 17 00:00:00 2001 From: GuiMacielPereira Date: Mon, 7 Oct 2024 12:04:32 +0100 Subject: [PATCH 15/28] Add figures to inelastic.rst --- 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b/docs/source/release/v6.11.0/inelastic.rst @@ -8,11 +8,19 @@ Inelastic Changes New Features ------------ - Indirect/Inelastic interfaces have new option `Load Workspace History` in the settings dialog. + + .. figure:: ../../images/6_11_release/load_history_option.png + :width: 500px + - :ref:`Elwin Tab ` of :ref:`Data Processor Interface ` now allows to access the Slice Viewer or 3D Plot from the OutputPlot widget of the output workspaces containing more than 1 histogram. -- :ref:`Convolution ` tab of the :ref:`Inelastic QENS Fitting ` now has option ``Tie Amplitudes`` to tie two Lorentzians in the interface. +- :ref:`Convolution ` tab of the :ref:`Inelastic QENS Fitting ` now has option ``Tie Peak Centres`` to tie two Lorentzians in the interface. - `Function (Q)` tab of the :ref:`QENS Fitting ` now allows to load `A0` fit parameter data into the interface. - I(Q, t) tab in :ref:`Inelastic QENS Fitting ` has new option `Output Composite Members`. - Renamed tabs of :ref:`QENS Fitting ` from ``MSD Fit``, ``I(Q,t) Fit``, ``ConvFit`` and ``F(Q)`` to ``MSD``, ``I(Q,t)``, ``Convolution`` and ``Function(Q)`` respectively. Added tooltip. + + .. figure:: ../../images/6_11_release/renamed_tabs.png + :width: 350px + - :ref:`Container Subtraction ` tab of the Corrections interface has new option not to delete subtracted workspaces when adding new data. 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ztQ^Xt=ch(F^spoTuh8-Lu+)L{OQGW;=M4p#T~?7(ofY{PDK39(Q9$VELgl<&9F_`z zW`C+kz!n8kT<9*U$p2#XaM5A4?`@Yeli&GiNK)CZre}v{@z%z})>4aozY` for Mantid. - ``Run`` and ``Abort`` buttons now display tooltips explaining their functionality and shortcut keys. - Tooltips are displayed when hovering over the relevant buttons. + Tooltips are displayed when hovering over the relevant buttons: + + .. figure:: ../../images/6_11_release/run_abort_tooltip.gif + :width: 450px + - Sequential Fit Dialog has a new selection method to `ExtendedSelection `_ when adding workspaces. @@ -52,10 +56,6 @@ Bugfixes SliceViewer ----------- -New features -############ - - Bugfixes ############ - Changing normalisation with the ``gist_rainbow`` colourmap no longer causes an error. 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zuoa@Js7C6qZy@-v`{y^F#h7dK>lY*-wE|}%Ivr1diz822vwAi26Q33DwgbOZtS5KtP=sr@rgp1HK$!RtT6C;uZO^WUQ`|3Cd%i*ZXz{O1JO<&(Kz PqF<-aofa!u@!S6aq&y*z literal 0 HcmV?d00001 diff --git a/docs/source/release/v6.11.0/sans.rst b/docs/source/release/v6.11.0/sans.rst index fa8426f0825b..4b7b8ffc3d33 100644 --- a/docs/source/release/v6.11.0/sans.rst +++ b/docs/source/release/v6.11.0/sans.rst @@ -9,6 +9,10 @@ New Features ------------ - The :ref:`compatibility_mode` feature in the :ref:`ISIS SANS GUI ` is no longer selected by default. This feature should be considered deprecated and will be removed completely in a future release. + + .. figure:: ../../images/6_11_release/disabled_compatibility_mode.png + :width: 600px + - New algorithm :ref:`PolarizerEfficiency ` for calculating the efficiency of a polariser. Bugfixes From ea62938c441ab0660f31f093665bd62537fdc055 Mon Sep 17 00:00:00 2001 From: GuiMacielPereira Date: Mon, 7 Oct 2024 17:31:41 +0100 Subject: [PATCH 19/28] Add highlights to index.rst - Added highlights - Added figure --- docs/source/release/v6.11.0/index.rst | 22 +++++++++++++++++++--- 1 file changed, 19 insertions(+), 3 deletions(-) diff --git a/docs/source/release/v6.11.0/index.rst b/docs/source/release/v6.11.0/index.rst index ba9f58c4e6ca..619104123ee4 100644 --- a/docs/source/release/v6.11.0/index.rst +++ b/docs/source/release/v6.11.0/index.rst @@ -4,9 +4,9 @@ Mantid 6.11.0 Release Notes =========================== -.. figure:: ../../images/ImageNotFound.png +.. figure:: ../../images/6_11_release/single-crystal-peak-background-edited.png + :width: 500px :class: screenshot - :width: 385px :align: right .. contents:: Table of Contents @@ -16,7 +16,23 @@ Mantid 6.11.0 Release Notes We are proud to announce version 6.11.0 of Mantid. -**TODO: Add paragraph summarizing big changes** +In this release we gave extra attention to fixing bugs and improving algorithms (for example by making them run faster or use less memory). +We also added several new algorithms. These are the highlights for this release: + +- For single crystal diffraction, we added a new algorithm :ref:`FindMultipleUMatrices ` + to find multiple UB matrices when given lattice parameters for sample with multiple domains or spurious peaks. +- Also for single crystal diffraction, :ref:`IntegratePeaksSkew ` is better at determining background bins by minimising third-moment (skew). + This is achieved by forcing skew > 0 (minimum skew we would expect in background). + This change stops peak mask of :ref:`IntegratePeaksSkew ` including too many pixels due to small diffuse scattering (seen in the figure above). +- For powder diffraction, the algorithms + :ref:`AlignAndFocusPowder `, + :ref:`AlignAndFocusPowderFromFiles `, + :ref:`SNSPowderReduction ` and + :ref:`LoadEventAndCompress ` + were updated to use logarithmic compression, which uses less memory. +- For reflectometry, we added a new algorithm :ref:`algm-PolarizationEfficienciesWildes` has been added for calculating the efficiencies of the polarizing components of an instrument with two flippers. + This algorithm implements the approach from the A. R. Wildes 2006 paper. +- For SANS, we added new algorithm :ref:`PolarizerEfficiency ` for calculating the efficiency of a polariser. **TODO: Add a note about new mantid-developer metapackage** From 0abfed7b4e7fd255015d0dc2df606f6b5fd86e75 Mon Sep 17 00:00:00 2001 From: thomashampson Date: Fri, 11 Oct 2024 14:09:36 +0100 Subject: [PATCH 20/28] Release notes grammatical fixes Co-authored-by: Jonathan Haigh <35813666+jhaigh0@users.noreply.github.com> Co-authored-by: RichardWaiteSTFC <55979119+RichardWaiteSTFC@users.noreply.github.com> --- docs/source/release/v6.11.0/diffraction.rst | 35 ++++++++++--------- .../release/v6.11.0/direct_geometry.rst | 10 +++--- docs/source/release/v6.11.0/framework.rst | 27 +++++++------- 3 files changed, 36 insertions(+), 36 deletions(-) diff --git a/docs/source/release/v6.11.0/diffraction.rst b/docs/source/release/v6.11.0/diffraction.rst index d07531297377..985f4f9bfc54 100644 --- a/docs/source/release/v6.11.0/diffraction.rst +++ b/docs/source/release/v6.11.0/diffraction.rst @@ -11,16 +11,16 @@ Powder Diffraction New features ############ - Algorithm :ref:`AlignAndFocusPowder ` now supports logarithmic compression. -- Algorithm :ref:`AlignAndFocusPowderFromFiles ` now takes advantage of new compression technique in :ref:`LoadEventNexus ` and :ref:`AlignAndFocusPowder ` -- Algorithm :ref:`SNSPowderReduction ` now takes advantage of new compression technique in :ref:`AlignAndFocusPowderFromFiles ` and :ref:`AlignAndFocusPowder ` -- Algorithm :ref:`LoadEventAndCompress ` now takes advantage of new compression technique in :ref:`LoadEventNexus `. +- Algorithm :ref:`AlignAndFocusPowderFromFiles ` now takes advantage of a new compression technique in :ref:`LoadEventNexus ` and :ref:`AlignAndFocusPowder `. +- Algorithm :ref:`SNSPowderReduction ` now takes advantage of a new compression technique in :ref:`AlignAndFocusPowderFromFiles ` and :ref:`AlignAndFocusPowder `. +- Algorithm :ref:`LoadEventAndCompress ` now takes advantage of a new compression technique in :ref:`LoadEventNexus `. - Algorithms :ref:`FitPeaks ` and :ref:`PDCalibration ` now do a check after the fit for the minimum signal-to-sigma ratio, where peaks with a signal below the provided threshold will be rejected. -- :ref:`HRPD reduction scripts ` now support boolean option ``fit_prompt_pulse`` to fit and subtract prompt pulse (as opposed to default method of masking of prompt pulse in TOF). - You can either specify this option in the configuration file or in ``hrpd.HRPD(fit_prompt_pulse=True)``. +- :ref:`HRPD reduction scripts ` now support the boolean option ``fit_prompt_pulse`` to fit and subtract prompt pulse (as opposed to the default method of masking of prompt pulse in TOF). + You can either specify this option in the configuration file or with ``hrpd.HRPD(fit_prompt_pulse=True)``. Bugfixes ############ -- Algorithm :ref:`AlignAndFocusPowder ` now runs compression when logarithmic is selected. +- Algorithm :ref:`AlignAndFocusPowder ` now runs compression when ``logarithmic`` is selected. - Applying absorption correction with missing sample details in :ref:`powder diffraction scripts ` now displays a clearer error message: .. figure:: ../../images/6_11_release/improved_error_message.png @@ -29,7 +29,7 @@ Bugfixes - Algorithm :ref:`DiffractionFocussing ` is now properly accumulating data when :ref:`CompressEvents ` is run prior to it in ``PreserveEvents=False`` mode. - Algorithm :ref:`PPDCalibration ` is once again masking input pixels with empty event lists (bug was present since 6.9.0). - :ref:`Calibration Diagnostics ` plotting now successfully extracts the solid angle of detectors. -- :ref:`Polaris diffraction ` routine ``create_total_scattering_pdf`` no longer causes unhandled error when calculating cross-sections of multi-atom unit cells for pdf normalisation. +- :ref:`Polaris diffraction ` routine ``create_total_scattering_pdf`` no longer causes an unhandled error when calculating cross-sections of multi-atom unit cells for pdf normalisation. Engineering Diffraction @@ -37,7 +37,7 @@ Engineering Diffraction Bugfixes ############ -- :ref:`Fitting tab ` of :ref:`Engineering Diffraction interface` no longer crashes when a fit is re-run for a function like ``PseudoVoigt`` that contains ``FWHM`` parameter as the peak function. +- The :ref:`fitting tab ` of the :ref:`Engineering Diffraction interface` no longer crashes when a fit is re-run for a function like a ``PseudoVoigt`` that contains a ``FWHM`` parameter as the peak function. Single Crystal Diffraction @@ -58,18 +58,18 @@ New features - :ref:`IntegratePeaksShoeboxTOF ` - :ref:`IntegratePeaks1DProfile ` -- ISIS single-crystal reduction classes now have method ``find_consistent_ub`` to find a UB that preserves indexing given a reference workspace (at different goniometer angle(s)). -- ISIS single-crystal reduction classes now have method ``optimize_goniometer_axis`` to optimise the goniometer axes and angles given a sequence of workspaces at different goniometer angle with consistent UBs. -- ISIS single-crystal reduction classes now have mehtod ``calc_absorption_weighted_path_lengths`` that calculates tbar for each peak (saved in a column of the table) and optionally apply an attenuation correction to the integrated intensity of each peak. - By default the correction will be applied if class has property ``scale_integrated = True``. +- ISIS single-crystal reduction classes now have the method ``find_consistent_ub`` to find a UB that preserves indexing given a reference workspace (at different goniometer angle(s)). +- ISIS single-crystal reduction classes now have the method ``optimize_goniometer_axis`` to optimise the goniometer axes and angles given a sequence of workspaces at different goniometer angle with consistent UBs. +- ISIS single-crystal reduction classes now have the method ``calc_absorption_weighted_path_lengths`` that calculates tbar for each peak (saved in a column of the table) and optionally apply an attenuation correction to the integrated intensity of each peak. + By default the correction will be applied if the class has the property ``scale_integrated = True``. - Algorithm :ref:`AddAbsorptionWeightedPathLengths ` now allows lean peaks to be used. There is also an option to apply the correction. -- New algorithm :ref:`FindMultipleUMatrices ` to find multiple UB matrices (given lattice parameters) for sample with multiple domains or spurious peaks. +- New algorithm :ref:`FindMultipleUMatrices ` to find multiple UB matrices (given lattice parameters) for samples with multiple domains or spurious peaks. - - This algorithm will use the lattice parameters and spacegroup provided to optimise a number (NumberOfUBs) + - This algorithm will use the lattice parameters and spacegroup provided to optimise a number (``NumberOfUBs``) of UB matrices (B is hard-coded due to the lattice parameters provided) and return a group of peak workspaces - one for each UB, containing the peaks that are indexed most accurately by that UB. - This algorithm is useful for finding a single UB in the presence of spurious peaks, or finding multiple UBs when there + (one for each UB) containing the peaks that are indexed most accurately by that UB. + The algorithm is useful for finding a single UB in the presence of spurious peaks, or finding multiple UBs when there are multiple domains. .. figure:: ../../images/6_11_release/FindMultipleUMatrices.png @@ -77,7 +77,8 @@ New features - Algorithm :ref:`ShowPossibleCells ` now has a new output property, ``Cells``, that includes the cell information in a usable way. - New algorithm :ref:`SaveMDHistoToVTK ` that saves a :ref:`MDHistoWorkspace ` as a ``VTK`` file so that it can be visualized by ``Paraview``. -- :ref:`IntegratePeaks1DProfile ` has improved optimisation for shoebox position - would previously be centred on nearby stronger peaks if present. +- :ref:`IntegratePeaksShoeboxTOF ` has improved optimisation for shoebox position - would previously be centred on nearby stronger peaks if present. +- Execution time of :ref:`IntegratePeaks1DProfile ` has been sped up by an order of magnitude. Bugfixes diff --git a/docs/source/release/v6.11.0/direct_geometry.rst b/docs/source/release/v6.11.0/direct_geometry.rst index 12f1b5e9870f..4d0ff03bb286 100644 --- a/docs/source/release/v6.11.0/direct_geometry.rst +++ b/docs/source/release/v6.11.0/direct_geometry.rst @@ -12,16 +12,16 @@ New features ############ - :ref:`SaveNXSPE ` now stores the run number of the input workspace in the instrument section. - For Indirect instruments it also saves ``efixed`` taken from detector's crystal analyzer properties. - If all crystal analyzers have the same energy, a single ``efixed`` is written into NXSPE_info->fixed_energy as before, - while if detectors have different analyzer's energies an array of the energies is written into NXSPE_info->fixed_energy field of the ``.nxspe`` file. + For Indirect instruments it also saves ``efixed``, taken from the detector's crystal analyzer properties. + If all crystal analyzers have the same energy, a single ``efixed`` is written into ``NXSPE_info->fixed_energy`` as before, + while if detectors have different analyzer energies, an array of the energies is written into the ``NXSPE_info->fixed_energy`` field of the ``.nxspe`` file. Also for Indirect instruments, no ``fermi`` field is added to the ``instrument`` folder. The algorithm has also been modified so if ``Ei`` is provided as the propery value it always overrides the values retrieved from the workspace. Bugfixes ############ -- :ref:`ALFView ` not longer crashs when moving the cursor over the Instrument View while loading data. -- :ref:`PyChop` no longer uses random phase values on Merling when instrument scientist mode disabled. +- :ref:`ALFView ` no longer crashs when moving the cursor over the Instrument View while loading data. +- :ref:`PyChop` no longer uses random phase values on Merlin when instrument scientist mode disabled. CrystalField diff --git a/docs/source/release/v6.11.0/framework.rst b/docs/source/release/v6.11.0/framework.rst index 566de52003c0..cb79299d60a4 100644 --- a/docs/source/release/v6.11.0/framework.rst +++ b/docs/source/release/v6.11.0/framework.rst @@ -14,39 +14,38 @@ New features - Algorithm :ref:`algm-Load` will now give a warning if the extension specified on the filename, eg. `MUSR15189.txt`, is not found. Loading files from interfaces or other algorithms should also give this warning. The algorithm will still load the file by looking for other extensions, as was the case before. -- Algorithm :ref:`GenerateGroupingPowder ` now has a newer version 2 that will save the grouping file with groups starting at 1 instead of 0 to make them consisted with ``GroupingWorkspace``. +- A new version of :ref:`GenerateGroupingPowder ` (version 2) that will save the grouping file with groups starting at 1 instead of 0 to make them consisted with ``GroupingWorkspace``. The ``FileFormat`` parameter has also been removed as it will now be determined from the extension of ``GroupingFilename``. - Algorithm :ref:`LoadEventNexus ` now has a new ``FilterBadPulsesLowerCutoff`` parameter that implements the functionality of :ref:`FilterBadPulses `. -- Algorithm :ref:`algm-PolarizationCorrectionWildes` and :ref:`algm-PolarizationEfficiencyCor` have new property ``SpinStates`` to allow the order of the workspaces in the output Workspace Group to be set. -- Algoritm :ref:`algm-CombineDiffCal` has improved time-scaling performance and new extra validations. +- Algorithm :ref:`algm-PolarizationCorrectionWildes` and :ref:`algm-PolarizationEfficiencyCor` have a new ``SpinStates`` property to allow the order of the workspaces in the output workspace group to be set. +- Algorithm :ref:`algm-CombineDiffCal` has improved time-scaling performance and new extra validations. - Algorithm :ref:`CompareWorkspaces ` now supports :ref:`Ragged Workspaces `. - Binary operations :ref:`Plus `, :ref:`Minus `, :ref:`Divide ` and :ref:`Multiply ` now support :ref:`Ragged Workspaces `. -- Algorithm :ref:`CompressEvents ` now has new property ``SortFirst`` that controls whether sorting first happens for compress events. - If ``SortFirst=False`` then a different method, that will not sort events first, will be used to compress events which is faster when you have a large number of events per compress tolerance. -- Algorithm :ref:`ISISIndirectEnergyTransfer ` has new property ``OutputSuffix`` that will append a suffix to the end of output workspace names. +- Algorithm :ref:`CompressEvents ` a new ``SortFirst`` property that controls whether sorting happens before compressing events. + If ``SortFirst=False`` then a different method is used to compress events that will not sort first. This is faster when you have a large number of events per compress tolerance. +- Algorithm :ref:`ISISIndirectEnergyTransfer ` has the new property ``OutputSuffix`` that will append a suffix to the end of output workspace names. - Algorithms :ref:`AlignAndFocusPowderFromFiles ` and ref: :ref:`SNSPowderReduction ` have new property ``MinSizeCompressOnLoad`` for specifying load compression. -- Algorithm `` now uses `scipy.interpolate.RectBivariateSpline` instead of `scipy.interpolate.interp2d`, since `interp2d` has been removed in version 1.14 of `scipy`. +- Algorithm :ref:`NMoldyn4Interpolation ` now uses ``scipy.interpolate.RectBivariateSpline`` instead of ``scipy.interpolate.interp2d``, since ``interp2d`` has been removed in version 1.14 of ``scipy``. See reference documentation here (https://docs.scipy.org/doc/scipy/reference/generated/scipy.interpolate.interp2d.html). - Algorithm :ref:`DiscusMultipleScatteringCorrection ` now supports a radial collimator that restricts scatter points within a small region within the larger sample volume. The algorithm was modified to assign zero weight to tracks where the final scatter is not in a position that allows the final track segment to pass through the collimator toward detectors. -- Algorithm :ref:`LoadEventAsWorkspace2D ` has new version 2 that adds property ``FilterByTime``. +- Version 2 of the algorithm :ref:`LoadEventAsWorkspace2D ` that adds the property ``FilterByTime``. - New algorithm :ref:`ScaleInstrumentComponent ` to scale all detectors in an instrument component around the component's geometrical position. .. figure:: ../../images/6_11_release/ScaleInstrumentComponent.png :width: 400px -- Algorithm :ref:`GenerateGroupingSNSInelastic ` has new input option :ref:`InstrumentDefinitionFile`. - Selecting the new ``InstrumentDefinitionFile`` option in instrument drop down menu will create a new field allowing users selecting older instrument definition files. -- Algorithm :ref:`CompareWorkspaces ` has new property ``CheckUncertainty`` to turn off comparing the y-value uncertainties. +- Algorithm :ref:`GenerateGroupingSNSInelastic ` has the new input option :ref:`InstrumentDefinitionFile`. + Selecting the new ``InstrumentDefinitionFile`` option in the instrument drop down menu will create a new field allowing users to select older instrument definition files. +- Algorithm :ref:`CompareWorkspaces ` has a new ``CheckUncertainty`` property to turn off comparing the y-value uncertainties. - Algorithm :ref:`ScaleX ` is now 95% faster when using the ``InstrumentParameter`` property. Bugfixes ############ - Algorithm :ref:`CompareWorkspaces ` is now fixed for relative differences of small values. -- Algorithm :ref:`LoadEventNexus ` now has minimum histogram bin edge equal to the lowest time-of-flight event rather than one less. - The effect is that there is no longer negative bin edges unless there is actually a negative time-of-flight in the data. +- Algorithm :ref:`LoadEventNexus ` now has the minimum histogram bin edge equal to the lowest time-of-flight event rather than one less. + There are no longer negative bin edges unless there is actually a negative time-of-flight in the data. - Isotope densities have been updated, see https://pypi.org/project/periodictable/1.6.1/#history for notes about the updates from NIST. -- Algorithm `IntegratePeaks1DProfile ` no longer references `numpy.distutils`, since as of NumPy 1.23.0 it is deprecated. - All sample times are now allowed to be before 01/01/1991. - Algorithm :ref:`ExtractFFTSpectrum ` no longer causes an unreliable segmentation fault. - Algorithm :ref:`LoadIsawUB ` now correctly adds the UB to the first experiment info when the input workspace has more than one. From 8b3d4877a6ddbec97b6828c3245833321995c5cc Mon Sep 17 00:00:00 2001 From: thomashampson Date: Fri, 11 Oct 2024 17:35:07 +0100 Subject: [PATCH 21/28] More grammatical fixes for release notes. Co-authored-by: Jonathan Haigh <35813666+jhaigh0@users.noreply.github.com> --- docs/source/release/v6.11.0/framework.rst | 21 +++++++++---------- .../release/v6.11.0/indirect_geometry.rst | 2 +- docs/source/release/v6.11.0/inelastic.rst | 20 ++++++++---------- .../release/v6.11.0/mantidworkbench.rst | 8 +++---- docs/source/release/v6.11.0/muon.rst | 2 +- docs/source/release/v6.11.0/reflectometry.rst | 2 +- 6 files changed, 26 insertions(+), 29 deletions(-) diff --git a/docs/source/release/v6.11.0/framework.rst b/docs/source/release/v6.11.0/framework.rst index cb79299d60a4..d6ea94178546 100644 --- a/docs/source/release/v6.11.0/framework.rst +++ b/docs/source/release/v6.11.0/framework.rst @@ -24,7 +24,7 @@ New features - Algorithm :ref:`CompressEvents ` a new ``SortFirst`` property that controls whether sorting happens before compressing events. If ``SortFirst=False`` then a different method is used to compress events that will not sort first. This is faster when you have a large number of events per compress tolerance. - Algorithm :ref:`ISISIndirectEnergyTransfer ` has the new property ``OutputSuffix`` that will append a suffix to the end of output workspace names. -- Algorithms :ref:`AlignAndFocusPowderFromFiles ` and ref: :ref:`SNSPowderReduction ` have new property ``MinSizeCompressOnLoad`` for specifying load compression. +- Algorithms :ref:`AlignAndFocusPowderFromFiles ` and ref: :ref:`SNSPowderReduction ` have new a property called ``MinSizeCompressOnLoad`` for specifying load compression. - Algorithm :ref:`NMoldyn4Interpolation ` now uses ``scipy.interpolate.RectBivariateSpline`` instead of ``scipy.interpolate.interp2d``, since ``interp2d`` has been removed in version 1.14 of ``scipy``. See reference documentation here (https://docs.scipy.org/doc/scipy/reference/generated/scipy.interpolate.interp2d.html). - Algorithm :ref:`DiscusMultipleScatteringCorrection ` now supports a radial collimator that restricts scatter points within a small region within the larger sample volume. @@ -53,21 +53,21 @@ Bugfixes Removed ####### -- Algorithm SaveDiffFittingAscii was deprecated in :ref:`Release 3.13.0 ` and has now been removed. Use :ref:`EnggSaveSinglePeakFitResultsToHDF5 ` instead. -- Algorithm AddNote was deprecated in :ref:`Release 3.6.0 ` and has now been removed. Please use :ref:`Comment ` instead. -- Algorithm FilterEventsByLogValuePreNexus was deprecated in 2014 and has now been removed. -- Algorithm FindUBUsingMinMaxD was deprecated in 2013 and has now been removed. Use :ref:`FindUBUsingFFT` instead. -- Algorithm ConvertEmptyToTof was deprecated in :ref:`Release 3.9.0 ` and has now been removed. -- Algorithm RecordPythonScript was deprecated in :ref:`Release 5.1.0 ` and has now been removed. Use :ref:`GeneratePythonScript` instead. -- Algorithm CheckWorkspacesMatch was deprecated in :ref:`Release 3.9.0 ` and has now been removed. Use :ref:`CompareWorkspaces` instead. +- Algorithm ``SaveDiffFittingAscii`` was deprecated in :ref:`Release 3.13.0 ` and has now been removed. Use :ref:`EnggSaveSinglePeakFitResultsToHDF5 ` instead. +- Algorithm ``AddNote`` was deprecated in :ref:`Release 3.6.0 ` and has now been removed. Please use :ref:`Comment ` instead. +- Algorithm ``FilterEventsByLogValuePreNexus`` was deprecated in 2014 and has now been removed. +- Algorithm ``FindUBUsingMinMaxD`` was deprecated in 2013 and has now been removed. Use :ref:`FindUBUsingFFT` instead. +- Algorithm ``ConvertEmptyToTof`` was deprecated in :ref:`Release 3.9.0 ` and has now been removed. +- Algorithm ``RecordPythonScript`` was deprecated in :ref:`Release 5.1.0 ` and has now been removed. Use :ref:`GeneratePythonScript` instead. +- Algorithm ``CheckWorkspacesMatch`` was deprecated in :ref:`Release 3.9.0 ` and has now been removed. Use :ref:`CompareWorkspaces` instead. Fit Functions ------------- New features ############ -- Function :ref:`PearsonIV ` now available to fit model prompt pulses. -- Function :ref:`SpinDiffusion ` now available in the Muon category. +- Fit function :ref:`PearsonIV ` now available to fit model prompt pulses. +- Fit function :ref:`SpinDiffusion ` now available in the Muon category. Data Objects @@ -95,7 +95,6 @@ Dependencies New features ############ - Linux compiler has been updated to gcc version 12, which should improve performance in some circumstances. -- Usage of ``Poco::File`` was changed to ``std::filesystem`` in the Kernel module. There will be no noticeable effect to the users. Bugfixes ############ diff --git a/docs/source/release/v6.11.0/indirect_geometry.rst b/docs/source/release/v6.11.0/indirect_geometry.rst index d7d48141c765..9cab76e315ea 100644 --- a/docs/source/release/v6.11.0/indirect_geometry.rst +++ b/docs/source/release/v6.11.0/indirect_geometry.rst @@ -10,7 +10,7 @@ Bugfixes -------- - Fixed a bug on the Energy Transfer tab of the :ref:`Indirect Data Reduction ` interface where the first raw file would be loaded into the ADS but never deleted. - Reduced files from the :ref:`Indirect Data Reduction ` interface now have spectra numbering consistent for a summed file reduction compared to individual file reduction. -- :ref:`interface-indirect-simulation` interface no longer crashes after clicking "Run" without loading data. +- :ref:`interface-indirect-simulation` interface no longer crashes after clicking ``Run`` without loading data. :ref:`Release 6.11.0 ` diff --git a/docs/source/release/v6.11.0/inelastic.rst b/docs/source/release/v6.11.0/inelastic.rst index 07ec9f573606..545a8f96ebd9 100644 --- a/docs/source/release/v6.11.0/inelastic.rst +++ b/docs/source/release/v6.11.0/inelastic.rst @@ -7,15 +7,15 @@ Inelastic Changes New Features ------------ -- Indirect/Inelastic interfaces have new option `Load Workspace History` in the settings dialog. +- Indirect/Inelastic interfaces have a new ``Load Workspace History`` option in the settings dialog. .. figure:: ../../images/6_11_release/load_history_option.png :width: 500px -- :ref:`Elwin Tab ` of :ref:`Data Processor Interface ` now allows to access the Slice Viewer or 3D Plot from the OutputPlot widget of the output workspaces containing more than 1 histogram. +- The :ref:`Elwin Tab ` of :ref:`Data Processor Interface ` now includes access the Slice Viewer or 3D Plot from the ``OutputPlot`` widget of the output workspaces containing more than 1 histogram. - :ref:`Convolution ` tab of the :ref:`Inelastic QENS Fitting ` now has option ``Tie Peak Centres`` to tie two Lorentzians in the interface. -- `Function (Q)` tab of the :ref:`QENS Fitting ` now allows to load `A0` fit parameter data into the interface. -- I(Q, t) tab in :ref:`Inelastic QENS Fitting ` has new option `Output Composite Members`. +- The ``Function (Q)`` tab of the :ref:`QENS Fitting Interface ` now allows to load `A0` fit parameter data into the interface. +- The ``I(Q, t)`` tab in :ref:`Inelastic QENS Fitting Interface ` has new option `Output Composite Members`. - Renamed tabs of :ref:`QENS Fitting ` from ``MSD Fit``, ``I(Q,t) Fit``, ``ConvFit`` and ``F(Q)`` to ``MSD``, ``I(Q,t)``, ``Convolution`` and ``Function(Q)`` respectively. Added tooltip. .. figure:: ../../images/6_11_release/renamed_tabs.png @@ -27,16 +27,14 @@ New Features Bugfixes -------- - Algorithm :ref:`BayesQuasi ` not longer throws an ``index out of range`` error when using a sample with a Numeric Axis. -- :ref:`Elwin Tab ` of :ref:`Data Processor Interface ` not longer freezes when running the tab. -- :ref:`Convolution ` :ref:`QENS Fitting interface ` interface no longer crashes when attempting to Fix all ``IsoDiffRot`` parameters from the ``EditLocalParameter`` dialog. -- Fixed comparison operation in ``ISISIndirectInelastic.OSIRISIqtAndIqtFitMulti`` system test by turning off uncertainty check, using absolute comparison, and adjusting the tolerance. - This change does not affect general users. +- The :ref:`Elwin Tab ` of the :ref:`Data Processor Interface ` no longer freezes when running the tab. +- The :ref:`Convolution ` of the :ref:`QENS Fitting interface ` no longer crashes when attempting to fix all ``IsoDiffRot`` parameters from the ``EditLocalParameter`` dialog. - When the ADS is cleared from workspaces that are used to run fits on an open :ref:`QENS Fitting interface `, a warning message now pops up when clicking on the `Run` button. - Fixed a bug in the Monte Carlo error calculation on the I(Q, t) tab of the :ref:`Data Processor Interface ` where the first bin had an error of zero. - :ref:`Elwin Tab ` of the :ref:`Data Processor Interface ` now supports loading data unrestricted by suffix if the option is selected from ``Settings``. - :ref:`Elwin interface ` now allows to see the Spectrum number 0 on the widget plot of the selected preview workspace. - :ref:`Elwin interface ` now plots the correct spectrum for the selected index when changing the preview spectrum above the plot widget combo box. -- :ref:`Moments` tab of the :ref:`Data Processor ` interface now have responsive sliders to changes in `Emin` and `EMax` properties when changed from the property browser. +- The :ref:`Moments` tab of the :ref:`Data Processor ` interface now have responsive sliders to changes in ``Emin`` and ``EMax`` properties when changed from the property browser. - :ref:`Inelastic Bayes fitting ` interface now correctly calculates EISF errors on the Quasi tab. - Adding new data to the :ref:`Elwin data table ` after clearing the Analysis Data Service no longer raises a ``No data found`` warning. - Ploting a preview of the selected workspace on the :ref:`Elwin tab ` no longer crashes Mantid after that workspace has been deleted from the ADS. @@ -44,7 +42,7 @@ Bugfixes - The dialog window for adding data in the :ref:`Elwin Tab ` of the :ref:`Data Processor Interface ` no longer freezes when adding data. - Quasi tab of the :ref:`Inelastic Bayes Fitting ` interface no longer crashes by attempting to load a WorkspaceGroup rather than the expected Workspace2D. - Quasi tab of the :ref:`Inelastic Bayes Fitting ` interface no longer crashes by clicking `Run` before data has finished loading. -- Available fit functions in the `Function (Q)` tab of the :ref:`QENS Fitting ` interface are now updated according to the type of data (`EISF`, `A0` or `Width`) loaded on the table. +- Available fit functions in the ``Function (Q)`` tab of the :ref:`QENS Fitting ` interface are now updated according to the type of data (``EISF``, ``A0`` or ``Width``) loaded in the table. Algorithms @@ -52,7 +50,7 @@ Algorithms New features ############ -- Abins/Abins2D algorithms now support "high-precision" eigenvectors from GAUSSIAN. +- :ref:`Abins `/:ref:`Abins2D `algorithms now support "high-precision" eigenvectors from GAUSSIAN. These are activated in GAUSSIAN with the ``freq(HPModes)`` parameter. In previous Mantid versions the Abins parser would fail to read the resulting files; now the high-precision values will be used. diff --git a/docs/source/release/v6.11.0/mantidworkbench.rst b/docs/source/release/v6.11.0/mantidworkbench.rst index 3747a15f7189..1217415a13c0 100644 --- a/docs/source/release/v6.11.0/mantidworkbench.rst +++ b/docs/source/release/v6.11.0/mantidworkbench.rst @@ -13,7 +13,7 @@ New Features - Exposed :class:`ConfigService::configureLogging() ` to python API. - Exposed :class:`ConfigService::getLogLevel() ` to python API. - Fixed handling of removed propertyies in :class:`ConfigService::saveConfig() `. -- Text and QComboBoxes are now more readable on OSX dark mode. +- All text on the Workbench About screen is now readable when using OSX dark mode. - There is a new :ref:`Deprecation Policy ` for Mantid. - ``Run`` and ``Abort`` buttons now display tooltips explaining their functionality and shortcut keys. Tooltips are displayed when hovering over the relevant buttons: @@ -26,15 +26,15 @@ New Features Bugfixes -------- -- Code editor no longer crashes due to parsing malformed XML code. +- Code editor no longer crashes when parsing malformed XML code. - Right-clicking on a 3D plot to change the colour bar scale no longer triggers the zoom tool. -- Dragging text onto a plot now displays a warning indicating that the workspace is invalid. +- Dragging arbitary text onto a plot now displays a warning indicating that the workspace name is invalid, rather than causing a crash. - Creating a script from a workspace's history, where that history includes algorithms using `StoreInADS=False`, should now create a functioning script. - Editing the y-axis of plots generated in a python script within Workbench no longer causes an error. - Editing plot settings no longer reorders the line order. - Plotting a histogram of live data for frequent updates is now functioning. - Ploting data with negative error values no longer causes a crash. -- Fixed key shortcuts `k` and `l` in mantid plot for quickly switching between `linear` and `log` scales. +- Fixed key shortcuts ``k`` and ``l`` in mantid plots for quickly switching between ``linear`` and ``log`` scales. - Disabled the broken Linear/Log context menu when right clicking on the colour bar of a 3D surface plot. The menu is now only accessible by right clicking inside the plot axes, which is consistent with other types of plotting (colorfill and contour). - Cropping a workspace after using the ``Plot All`` button no longer causes an error. diff --git a/docs/source/release/v6.11.0/muon.rst b/docs/source/release/v6.11.0/muon.rst index e15c26abc454..f2365678b6b1 100644 --- a/docs/source/release/v6.11.0/muon.rst +++ b/docs/source/release/v6.11.0/muon.rst @@ -11,7 +11,7 @@ ALC Bugfixes ############ -- Fixed the `Import results` option on the :ref:`Muon ALC ` interface when the results being loaded are only partially complete. +- Fixed the ``Import results`` option on the :ref:`Muon ALC ` interface when the results being loaded are only partially complete. :ref:`Release 6.11.0 ` diff --git a/docs/source/release/v6.11.0/reflectometry.rst b/docs/source/release/v6.11.0/reflectometry.rst index 52f0a330b431..4b6f36585d43 100644 --- a/docs/source/release/v6.11.0/reflectometry.rst +++ b/docs/source/release/v6.11.0/reflectometry.rst @@ -18,7 +18,7 @@ Bugfixes -------- - :ref:`Stitch1DMany ` algorithm now runs successfully via the GUI. - The orsopy library has been updated to version 1.2.1. - This pulls in a bug fix where multi-dataset reduced reflectivity .ort files with different column headers for different datasets would use only the headers for the first dataset throughout the file. + This pulls in a bug fix where multi-dataset reduced reflectivity ``.ort`` files with different column headers for different datasets would use only the headers for the first dataset throughout the file. - Algorithm :ref:`algm-ReflectometryReductionOneLiveData` now applies polarization corrections correctly on ``WorkspaceGroup`` inputs. - When on IDAaaS, only runs that are available in the ISIS Instrument Data Cache will now appear in the ``Search Runs`` section of the :ref:`Runs tab ` when the ``Search Data Archive`` setting is set to ``Off``. From 80d5d0d5410e4f0d60b4eb35aede771aa946a6e5 Mon Sep 17 00:00:00 2001 From: thomashampson Date: Fri, 11 Oct 2024 17:37:31 +0100 Subject: [PATCH 22/28] Add note for mantid-developer metapackage Although it's not directly applicable for users, it's a noteworthy change for developers. --- docs/source/release/v6.11.0/index.rst | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/docs/source/release/v6.11.0/index.rst b/docs/source/release/v6.11.0/index.rst index 619104123ee4..f7419c28c2ab 100644 --- a/docs/source/release/v6.11.0/index.rst +++ b/docs/source/release/v6.11.0/index.rst @@ -34,7 +34,7 @@ We also added several new algorithms. These are the highlights for this release: This algorithm implements the approach from the A. R. Wildes 2006 paper. - For SANS, we added new algorithm :ref:`PolarizerEfficiency ` for calculating the efficiency of a polariser. -**TODO: Add a note about new mantid-developer metapackage** +- Mantid developer environments are now created using a new ``mantid-developer`` Conda meta-package, hosted on our Conda channel. These are just some of the many improvements in this release, so please take a look at the release notes, which are filled with details of the From 4d3816ae963eef3798ab83c475404d983c36f1c1 Mon Sep 17 00:00:00 2001 From: thomashampson Date: Fri, 11 Oct 2024 17:40:33 +0100 Subject: [PATCH 23/28] Final grammatical fixes in release notes --- docs/source/release/v6.11.0/inelastic.rst | 26 +++++++++---------- .../release/v6.11.0/mantidworkbench.rst | 10 +++---- 2 files changed, 18 insertions(+), 18 deletions(-) diff --git a/docs/source/release/v6.11.0/inelastic.rst b/docs/source/release/v6.11.0/inelastic.rst index 545a8f96ebd9..3b33c7b1a188 100644 --- a/docs/source/release/v6.11.0/inelastic.rst +++ b/docs/source/release/v6.11.0/inelastic.rst @@ -13,7 +13,7 @@ New Features :width: 500px - The :ref:`Elwin Tab ` of :ref:`Data Processor Interface ` now includes access the Slice Viewer or 3D Plot from the ``OutputPlot`` widget of the output workspaces containing more than 1 histogram. -- :ref:`Convolution ` tab of the :ref:`Inelastic QENS Fitting ` now has option ``Tie Peak Centres`` to tie two Lorentzians in the interface. +- The :ref:`Convolution ` tab of the :ref:`Inelastic QENS Fitting Interface ` now has option ``Tie Peak Centres`` to tie two Lorentzians in the interface. - The ``Function (Q)`` tab of the :ref:`QENS Fitting Interface ` now allows to load `A0` fit parameter data into the interface. - The ``I(Q, t)`` tab in :ref:`Inelastic QENS Fitting Interface ` has new option `Output Composite Members`. - Renamed tabs of :ref:`QENS Fitting ` from ``MSD Fit``, ``I(Q,t) Fit``, ``ConvFit`` and ``F(Q)`` to ``MSD``, ``I(Q,t)``, ``Convolution`` and ``Function(Q)`` respectively. Added tooltip. @@ -21,27 +21,27 @@ New Features .. figure:: ../../images/6_11_release/renamed_tabs.png :width: 350px -- :ref:`Container Subtraction ` tab of the Corrections interface has new option not to delete subtracted workspaces when adding new data. +- The :ref:`Container Subtraction ` tab of the Corrections interface has new option not to delete subtracted workspaces when adding new data. Bugfixes -------- -- Algorithm :ref:`BayesQuasi ` not longer throws an ``index out of range`` error when using a sample with a Numeric Axis. +- Algorithm :ref:`BayesQuasi ` no longer throws an ``index out of range`` error when using a sample with a numeric axis. - The :ref:`Elwin Tab ` of the :ref:`Data Processor Interface ` no longer freezes when running the tab. - The :ref:`Convolution ` of the :ref:`QENS Fitting interface ` no longer crashes when attempting to fix all ``IsoDiffRot`` parameters from the ``EditLocalParameter`` dialog. -- When the ADS is cleared from workspaces that are used to run fits on an open :ref:`QENS Fitting interface `, a warning message now pops up when clicking on the `Run` button. +- When the ADS is cleared of workspaces that are used to run fits on an open :ref:`QENS Fitting interface `, a warning message now pops up when clicking on the `Run` button. - Fixed a bug in the Monte Carlo error calculation on the I(Q, t) tab of the :ref:`Data Processor Interface ` where the first bin had an error of zero. -- :ref:`Elwin Tab ` of the :ref:`Data Processor Interface ` now supports loading data unrestricted by suffix if the option is selected from ``Settings``. -- :ref:`Elwin interface ` now allows to see the Spectrum number 0 on the widget plot of the selected preview workspace. -- :ref:`Elwin interface ` now plots the correct spectrum for the selected index when changing the preview spectrum above the plot widget combo box. +- The :ref:`Elwin Tab ` of the :ref:`Data Processor Interface ` now supports loading data unrestricted by suffix if the option is selected from ``Settings``. +- The :ref:`Elwin interface ` now allows to see the Spectrum number 0 on the widget plot of the selected preview workspace. +- The :ref:`Elwin interface ` now plots the correct spectrum for the selected index when changing the preview spectrum above the plot widget combo box. - The :ref:`Moments` tab of the :ref:`Data Processor ` interface now have responsive sliders to changes in ``Emin`` and ``EMax`` properties when changed from the property browser. -- :ref:`Inelastic Bayes fitting ` interface now correctly calculates EISF errors on the Quasi tab. +- The :ref:`Inelastic Bayes fitting ` interface now correctly calculates EISF errors on the Quasi tab. - Adding new data to the :ref:`Elwin data table ` after clearing the Analysis Data Service no longer raises a ``No data found`` warning. -- Ploting a preview of the selected workspace on the :ref:`Elwin tab ` no longer crashes Mantid after that workspace has been deleted from the ADS. -- Fix a cutoff issue with ``Symmetric Energy Range`` label in :ref:`Iqt` tab of the :ref:`Data Processor ` interface. -- The dialog window for adding data in the :ref:`Elwin Tab ` of the :ref:`Data Processor Interface ` no longer freezes when adding data. -- Quasi tab of the :ref:`Inelastic Bayes Fitting ` interface no longer crashes by attempting to load a WorkspaceGroup rather than the expected Workspace2D. -- Quasi tab of the :ref:`Inelastic Bayes Fitting ` interface no longer crashes by clicking `Run` before data has finished loading. +- Plotting a preview of the selected workspace on the :ref:`Elwin tab ` no longer crashes Mantid after that workspace has been deleted from the ADS. +- Fix a cutoff issue with ``Symmetric Energy Range`` label in the :ref:`Iqt` tab of the :ref:`Data Processor ` interface. +- The dialog window for adding data in the :ref:`Elwin Tab ` of the :ref:`Data Processor Interface ` no longer freezes when adding data. +- Fixed a crash on the Quasi tab of the :ref:`Inelastic Bayes Fitting ` interface caused by attempting to load a WorkspaceGroup rather than the expected Workspace2D. +- Prevented a crash on the Quasi tab of the :ref:`Inelastic Bayes Fitting ` interface caused by clicking ``Run`` before data has finished loading. - Available fit functions in the ``Function (Q)`` tab of the :ref:`QENS Fitting ` interface are now updated according to the type of data (``EISF``, ``A0`` or ``Width``) loaded in the table. diff --git a/docs/source/release/v6.11.0/mantidworkbench.rst b/docs/source/release/v6.11.0/mantidworkbench.rst index 1217415a13c0..b240a11b93eb 100644 --- a/docs/source/release/v6.11.0/mantidworkbench.rst +++ b/docs/source/release/v6.11.0/mantidworkbench.rst @@ -21,7 +21,7 @@ New Features .. figure:: ../../images/6_11_release/run_abort_tooltip.gif :width: 450px -- Sequential Fit Dialog has a new selection method to `ExtendedSelection `_ when adding workspaces. +- The Sequential Fit Dialog has a new selection method to `ExtendedSelection `_ when adding workspaces. Bugfixes @@ -31,14 +31,14 @@ Bugfixes - Dragging arbitary text onto a plot now displays a warning indicating that the workspace name is invalid, rather than causing a crash. - Creating a script from a workspace's history, where that history includes algorithms using `StoreInADS=False`, should now create a functioning script. - Editing the y-axis of plots generated in a python script within Workbench no longer causes an error. -- Editing plot settings no longer reorders the line order. +- Editing plot settings no longer reorders the legend entries. - Plotting a histogram of live data for frequent updates is now functioning. -- Ploting data with negative error values no longer causes a crash. +- Plotting data with negative error values no longer causes a crash. - Fixed key shortcuts ``k`` and ``l`` in mantid plots for quickly switching between ``linear`` and ``log`` scales. - Disabled the broken Linear/Log context menu when right clicking on the colour bar of a 3D surface plot. The menu is now only accessible by right clicking inside the plot axes, which is consistent with other types of plotting (colorfill and contour). - Cropping a workspace after using the ``Plot All`` button no longer causes an error. -- Legend in plots is no longer accidentally picked up by a mouse scroll. +- Plot legends are no longer accidentally picked up by scrolling the mouse wheel. - Fixed bug where the TOF converter window was not displaying properly on high resolution screens. @@ -48,7 +48,7 @@ InstrumentViewer Bugfixes ############ - Opening the instrument viewer with old muon data (DEVA) no longer causes a crash. -- Zooming in on :ref:`Instrument View ` with a 2D projection no longer causes drawing artifacts. +- Zooming in on the :ref:`Instrument View ` with a 2D projection no longer causes drawing artifacts. - Fixed crash in the :ref:`Instrument View ` when trying to overlay peaks that do not have a corresponding detector. - Fixed crash when selecting multiple ROI banks. From 2b9fa0159da6b4d5fe6168fdb90cc7ff2d5b562b Mon Sep 17 00:00:00 2001 From: Tom Hampson Date: Fri, 11 Oct 2024 17:47:03 +0100 Subject: [PATCH 24/28] move macOS compiler release notes into framework --- docs/source/release/v6.11.0/framework.rst | 1 + docs/source/release/v6.11.0/mantidworkbench.rst | 1 - 2 files changed, 1 insertion(+), 1 deletion(-) diff --git a/docs/source/release/v6.11.0/framework.rst b/docs/source/release/v6.11.0/framework.rst index d6ea94178546..b81056dd8b38 100644 --- a/docs/source/release/v6.11.0/framework.rst +++ b/docs/source/release/v6.11.0/framework.rst @@ -95,6 +95,7 @@ Dependencies New features ############ - Linux compiler has been updated to gcc version 12, which should improve performance in some circumstances. +- Updated compiler on macOS from clang version 15 to 16, which should result in performance improvements. Bugfixes ############ diff --git a/docs/source/release/v6.11.0/mantidworkbench.rst b/docs/source/release/v6.11.0/mantidworkbench.rst index b240a11b93eb..f9e93af5c492 100644 --- a/docs/source/release/v6.11.0/mantidworkbench.rst +++ b/docs/source/release/v6.11.0/mantidworkbench.rst @@ -7,7 +7,6 @@ Mantid Workbench Changes New Features ------------ -- Updated compiler on macOS from clang version 15 to 16, which should result in performance improvements. - Clarified ``Report Usage Data`` checkbox on the Workbench About page to explain that usage reporting is required to use the Error Reporter. - Exposed :class:`ConfigService::remove() ` to python API. - Exposed :class:`ConfigService::configureLogging() ` to python API. From c9c2a3082783eb6d6eca2ab84091b8f53d99ac87 Mon Sep 17 00:00:00 2001 From: thomashampson Date: Tue, 15 Oct 2024 13:22:14 +0100 Subject: [PATCH 25/28] Clarify bug fix in release notes Co-authored-by: James Clarke <139879523+jclarkeSTFC@users.noreply.github.com> --- docs/source/release/v6.11.0/framework.rst | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/docs/source/release/v6.11.0/framework.rst b/docs/source/release/v6.11.0/framework.rst index b81056dd8b38..f4a5cfdc8569 100644 --- a/docs/source/release/v6.11.0/framework.rst +++ b/docs/source/release/v6.11.0/framework.rst @@ -46,7 +46,7 @@ Bugfixes - Algorithm :ref:`LoadEventNexus ` now has the minimum histogram bin edge equal to the lowest time-of-flight event rather than one less. There are no longer negative bin edges unless there is actually a negative time-of-flight in the data. - Isotope densities have been updated, see https://pypi.org/project/periodictable/1.6.1/#history for notes about the updates from NIST. -- All sample times are now allowed to be before 01/01/1991. +- Files where all sample times are before 01/01/1991 will no longer generate an error. - Algorithm :ref:`ExtractFFTSpectrum ` no longer causes an unreliable segmentation fault. - Algorithm :ref:`LoadIsawUB ` now correctly adds the UB to the first experiment info when the input workspace has more than one. - Algorithms :ref:`SaveNexusProcessed ` and :ref:`LoadNexusProcessed ` have been fixed to correctly work with :ref:`Ragged Workspaces `. From 96d37d493ffaaafae33f4353018737d7fd539c1f Mon Sep 17 00:00:00 2001 From: thomashampson Date: Tue, 15 Oct 2024 13:24:24 +0100 Subject: [PATCH 26/28] Fix formatting issue to avoid sphinx warning --- docs/source/release/v6.11.0/inelastic.rst | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/docs/source/release/v6.11.0/inelastic.rst b/docs/source/release/v6.11.0/inelastic.rst index 3b33c7b1a188..a7f9cea1b9ba 100644 --- a/docs/source/release/v6.11.0/inelastic.rst +++ b/docs/source/release/v6.11.0/inelastic.rst @@ -50,7 +50,7 @@ Algorithms New features ############ -- :ref:`Abins `/:ref:`Abins2D `algorithms now support "high-precision" eigenvectors from GAUSSIAN. +- :ref:`Abins `/:ref:`Abins2D ` algorithms now support "high-precision" eigenvectors from GAUSSIAN. These are activated in GAUSSIAN with the ``freq(HPModes)`` parameter. In previous Mantid versions the Abins parser would fail to read the resulting files; now the high-precision values will be used. From 8820dab5d23cdaf0fbce79466ca499733f9788c2 Mon Sep 17 00:00:00 2001 From: Tom Hampson Date: Tue, 15 Oct 2024 15:47:58 +0100 Subject: [PATCH 27/28] Fix indentation for images in release notes --- docs/source/release/v6.11.0/diffraction.rst | 4 ++-- docs/source/release/v6.11.0/framework.rst | 4 ++-- docs/source/release/v6.11.0/inelastic.rst | 8 ++++---- docs/source/release/v6.11.0/mantidworkbench.rst | 4 ++-- docs/source/release/v6.11.0/reflectometry.rst | 4 ++-- docs/source/release/v6.11.0/sans.rst | 4 ++-- 6 files changed, 14 insertions(+), 14 deletions(-) diff --git a/docs/source/release/v6.11.0/diffraction.rst b/docs/source/release/v6.11.0/diffraction.rst index 985f4f9bfc54..08f71cf4b84a 100644 --- a/docs/source/release/v6.11.0/diffraction.rst +++ b/docs/source/release/v6.11.0/diffraction.rst @@ -72,8 +72,8 @@ New features The algorithm is useful for finding a single UB in the presence of spurious peaks, or finding multiple UBs when there are multiple domains. - .. figure:: ../../images/6_11_release/FindMultipleUMatrices.png - :width: 400px +.. figure:: ../../images/6_11_release/FindMultipleUMatrices.png + :width: 400px - Algorithm :ref:`ShowPossibleCells ` now has a new output property, ``Cells``, that includes the cell information in a usable way. - New algorithm :ref:`SaveMDHistoToVTK ` that saves a :ref:`MDHistoWorkspace ` as a ``VTK`` file so that it can be visualized by ``Paraview``. diff --git a/docs/source/release/v6.11.0/framework.rst b/docs/source/release/v6.11.0/framework.rst index f4a5cfdc8569..748643de99e0 100644 --- a/docs/source/release/v6.11.0/framework.rst +++ b/docs/source/release/v6.11.0/framework.rst @@ -32,8 +32,8 @@ New features - Version 2 of the algorithm :ref:`LoadEventAsWorkspace2D ` that adds the property ``FilterByTime``. - New algorithm :ref:`ScaleInstrumentComponent ` to scale all detectors in an instrument component around the component's geometrical position. - .. figure:: ../../images/6_11_release/ScaleInstrumentComponent.png - :width: 400px +.. figure:: ../../images/6_11_release/ScaleInstrumentComponent.png + :width: 400px - Algorithm :ref:`GenerateGroupingSNSInelastic ` has the new input option :ref:`InstrumentDefinitionFile`. Selecting the new ``InstrumentDefinitionFile`` option in the instrument drop down menu will create a new field allowing users to select older instrument definition files. diff --git a/docs/source/release/v6.11.0/inelastic.rst b/docs/source/release/v6.11.0/inelastic.rst index a7f9cea1b9ba..78240f8192eb 100644 --- a/docs/source/release/v6.11.0/inelastic.rst +++ b/docs/source/release/v6.11.0/inelastic.rst @@ -9,8 +9,8 @@ New Features ------------ - Indirect/Inelastic interfaces have a new ``Load Workspace History`` option in the settings dialog. - .. figure:: ../../images/6_11_release/load_history_option.png - :width: 500px +.. figure:: ../../images/6_11_release/load_history_option.png + :width: 500px - The :ref:`Elwin Tab ` of :ref:`Data Processor Interface ` now includes access the Slice Viewer or 3D Plot from the ``OutputPlot`` widget of the output workspaces containing more than 1 histogram. - The :ref:`Convolution ` tab of the :ref:`Inelastic QENS Fitting Interface ` now has option ``Tie Peak Centres`` to tie two Lorentzians in the interface. @@ -18,8 +18,8 @@ New Features - The ``I(Q, t)`` tab in :ref:`Inelastic QENS Fitting Interface ` has new option `Output Composite Members`. - Renamed tabs of :ref:`QENS Fitting ` from ``MSD Fit``, ``I(Q,t) Fit``, ``ConvFit`` and ``F(Q)`` to ``MSD``, ``I(Q,t)``, ``Convolution`` and ``Function(Q)`` respectively. Added tooltip. - .. figure:: ../../images/6_11_release/renamed_tabs.png - :width: 350px +.. figure:: ../../images/6_11_release/renamed_tabs.png + :width: 350px - The :ref:`Container Subtraction ` tab of the Corrections interface has new option not to delete subtracted workspaces when adding new data. diff --git a/docs/source/release/v6.11.0/mantidworkbench.rst b/docs/source/release/v6.11.0/mantidworkbench.rst index f9e93af5c492..0397aff1cc48 100644 --- a/docs/source/release/v6.11.0/mantidworkbench.rst +++ b/docs/source/release/v6.11.0/mantidworkbench.rst @@ -17,8 +17,8 @@ New Features - ``Run`` and ``Abort`` buttons now display tooltips explaining their functionality and shortcut keys. Tooltips are displayed when hovering over the relevant buttons: - .. figure:: ../../images/6_11_release/run_abort_tooltip.gif - :width: 450px +.. figure:: ../../images/6_11_release/run_abort_tooltip.gif + :width: 450px - The Sequential Fit Dialog has a new selection method to `ExtendedSelection `_ when adding workspaces. diff --git a/docs/source/release/v6.11.0/reflectometry.rst b/docs/source/release/v6.11.0/reflectometry.rst index 4b6f36585d43..4f80d1dc2bd0 100644 --- a/docs/source/release/v6.11.0/reflectometry.rst +++ b/docs/source/release/v6.11.0/reflectometry.rst @@ -10,8 +10,8 @@ New Features - New algorithm :ref:`algm-PolarizationEfficienciesWildes` has been added for calculating the efficiencies of the polarizing components of an instrument with two flippers. This algorithm implements the approach from the A. R. Wildes 2006 paper. - .. figure:: ../../images/6_11_release/PolarizationEfficienciesWildes.png - :width: 500px +.. figure:: ../../images/6_11_release/PolarizationEfficienciesWildes.png + :width: 500px Bugfixes diff --git a/docs/source/release/v6.11.0/sans.rst b/docs/source/release/v6.11.0/sans.rst index 4b7b8ffc3d33..25430ed55f66 100644 --- a/docs/source/release/v6.11.0/sans.rst +++ b/docs/source/release/v6.11.0/sans.rst @@ -10,8 +10,8 @@ New Features - The :ref:`compatibility_mode` feature in the :ref:`ISIS SANS GUI ` is no longer selected by default. This feature should be considered deprecated and will be removed completely in a future release. - .. figure:: ../../images/6_11_release/disabled_compatibility_mode.png - :width: 600px +.. figure:: ../../images/6_11_release/disabled_compatibility_mode.png + :width: 600px - New algorithm :ref:`PolarizerEfficiency ` for calculating the efficiency of a polariser. 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