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SasView 6.0.0-Beta1

18 Jun 20:39
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SasView 6.0.0-Beta1 Pre-release
Pre-release

New in Version 6.0.0

This is a major release with a number of new features, enhancements, and bug fixes as described below. Many of the new
features are now highlighted in our 'What's New' window displayed when SasView starts.

This version of SasView is built with Sasmodels v1.0.7, Sasdata v0.9.0, and bumps v0.9.2.

Known Issues

The following issues have been found since the last stable release and are planned to be fixed prior to the final release.

OS-Specific Launch issues:

  • Beta does not launch on older Macs #2919 (In progress - #2917)
  • Beta does not launch in Rocky Lunux 9.3 #2902 (In progress - #2862)
  • MacOS: Add note about Rosetta #2858
  • Broken Linux CI test step #2816 (In progress - #2953)
  • Windows Defender sometimes quarantines SasView.exe #2861

Project Save/Load

  • Saving Project throws errors #2798
  • No feedback when loading a project #2914

Tools

  • GSC not drawing the structure #2734 and #2831
  • GSC Empirical Models can produce NaNs when resolution is applied #2671
  • No way to stop GSC calculations #2915
  • Add large PDB files to example data #2871
  • Resolution calculator fails to compute image #2705

Fitting and other perspectives

  • Cannot change fitting optimizer #2889 (In progress - #2941)
  • Mixture models with SLD throw an error when calculating SLD profile #2867
  • dQ values can be misleading SasView/sasdata#66 (In progress - #2839)
  • Moving sliders in Corfunc throws errors #2912
  • Reports only use open plots for report generation #2911

Various Other Issues

What's Changed

New Features

Feature Enhancements

Log Explorer Enhancements

Tool Enhancements

Plotting Enhancements

General GUI Enhancements

Fitting Enhancements

Bug Fixes

General GUI Fixes

Plotting Fixes

Fitting and Other Perspective Fixes

Other Fixes

Documentation Changes

Infrastructure Changes

Build System

Python Dependencies

Developer Enhancements

New Contributors

Full Changelog: v5.0.6...v6.0.0-beta-1

Release 6.0.0-alpha

22 Sep 15:36
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Release 6.0.0-alpha Pre-release
Pre-release

New features

  • Orientation viewer
  • Corfunc refactored
  • Simultaneous fitting allows for weighting scheme
  • Preferences panel with display and plotting options (polydispersity and residuals plots can be hidden).
  • Improved label handling on plots
  • Residuals plots refactored
  • PDB reader refactored
  • Wedge slicer added
  • Sasdata package separated
  • Move to PySide6
  • Python 3.11 support
  • Required documentation (#2641)
  • Improved documentation
  • New Tutorials

Major bug fixes:

  • Handling of constraints for polydisperse parameters
  • Binning and FitPage plotting of SESANS data
  • Fixed 1D slit-smearing function
  • Start-up speed improved
  • Magnetic SLD?
  • Multiplicity model?

New models

  • New broad peak model

Anticipated for beta version

  • PDB-based model saved to custom model (for S(q) calculations)?
  • Batch Processing and 2D data slicing and processing for P(r)
  • Local documentation generator
  • Log explorer
  • Send To button with replacement options

What's Changed (This section has to be improved)

New Contributors

Full Changelog: nightly-build...v6.0.0-alpha

SasView 5.0.6

06 Jun 19:22
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SasView 5.0.6

NB: Please check that the installer targets a new installation folder (eg, \SasView-5.0.6) rather than re-using an existing SasView folder.

Downloads

Windows installer
MacOS installer

What's Changed

This is a point release which fixes a number of issues reported in earlier versions
of 5.0.x. Of particular note, the failure of the program to start when installing on
a new system due to issues finding the config file has been fixed. The speed with
which the program starts up has also been improved. The paracrystalline models, which
have been labelled as "under review" since 2018, have been checked and corrected (bcc
and fcc) and the documentation completely reworked (bcc, fcc, and sc). The SasView
Development Team would very much like to express their sincere gratitude to those
members of the community that assisted with this task. Elsewhere, plots now properly
support custom data names in the legend, the LM optimizer failing to run on GPUs or
when the starting value of a parameter is outside the min/max range has been fixed,
a problem with the intermittent blanking of plots has also been fixed, a number of
defaults have been changed to be more reasonable, and a number of other issues in
the documentation have been corrected and/or updated.

Pull Request Changes

Documentation Changes

Build System Changes

  • Fix Sphinx some of the warnings during build process @smk78 #2288

New Models

The following models have been added to the Model Marketplace since v5.0.5 was released:

  • Octahedron_truncated_txtytz
  • Octahedron_truncated
  • Rating Curve
  • Pringle-Schmidt Helices (revision & documentation update)
  • Lamellar Slab Partition Constant

Known Issues

Jul 14, 2023: There appear to be circumstances where the SasView 5.0.6 installer
targets an existing SasView folder for the installation of the new version. If v5.0.6
installs to/overwrites an existing version of SasView it may fail to run and throw errors
such as 'ImportError: DLL load failed while importing...'. To avoid this, install v5.0.6 to
its own folder.

Feb 13, 2023: The Development Team is aware of a (so far isolated) instance of
v5.0.6 failing to run on MacOS 13.1 (Ventura). For some reason during installation
~.sasview\config\custom_config.py was created as a folder and not as a file.
Should you experience this, delete the custom_config.py folder and replace it with a
copy of the file https://github.com/SasView/sasview/blob/release_5.0.6/src/sas/sasview/custom_config.py

All the known bugs/feature requests can be found in the issues on github.
Note the sasmodels issues are now separate from the sasview issues (i.e. different repositories)

Full Changelog: v5.0.5...v5.0.6rc2

SasView 5.0.6rc2

08 May 19:32
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SasView 5.0.6rc2 Pre-release
Pre-release

SasView 5.0.6 release candidate (rc2)

Downloads

Windows installer
MacOS installer

What's Changed

This is a point release which fixes a number of issues reported in earlier versions
of 5.0.x. Of particular note, the failure of the program to start when installing on
a new system due to issues finding the config file has been fixed. The speed with
which the program starts up has also been improved. The paracrystalline models, which
have been labelled as "under review" since 2018, have been checked and corrected (bcc
and fcc) and the documentation completely reworked (bcc, fcc, and sc). Elsewhere,
plots now properly support custom data names in the legend, the LM optimizer failing
to run on GPUs or when the starting value of a parameter is outside the min/max range
has been fixed, a problem with the intermittent blanking of plots has also been fixed,
a number of defaults have been changed to be more reasonable, and a number of other
issues in the documentation have been corrected and/or updated.

Pull Request Changes

Documentation Changes

Build System Changes

  • Fix Sphinx some of the warnings during build process @smk78 #2288

New Models

The following models have been added to the Model Marketplace since v5.0.5 was released:

  • Pringle-Schmidt Helices (documentation update)
  • Lamellar Slab Partition Constant

Known Issues

Feb 13, 2023: The Development Team is aware of a (so far isolated) instance of
v5.0.6rc1 failing to run on MacOS 13.1 (Ventura). For some reason during installation
~.sasview\config\custom_config.py was created as a folder and not as a file.
Should you experience this, delete the custom_config.py folder and replace it with a
copy of the file https://github.com/SasView/sasview/blob/release_5.0.6/src/sas/sasview/custom_config.py

All the known bugs/feature requests can be found in the issues on github.
Note the sasmodels issues are now separate from the sasview issues (i.e. different repositories)

Full Changelog: v5.0.5...v5.0.6rc2

nightly-build

30 Mar 14:19
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nightly-build Pre-release
Pre-release

Nightly build of main SasView branch

SasView 5.0.6rc1

05 Feb 00:20
b37e207
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SasView 5.0.6rc1 Pre-release
Pre-release

SasView 5.0.6 release candidate (rc1)

Downloads

Windows installer
MacOS installer

What's Changed

This is a point release which fixes a number of issues reported in earlier versions
of 5.0.x. Of particular note, the failure of the program to start when installing on
a new system due to issues finding the config file has been fixed. The speed with
which the program starts up has also been improved. The paracrystalline models, which
have been labelled as "under review" since 2018, have been checked and corrected (bcc
and fcc) and the documentation completely reworked (bcc, fcc, and sc). Elsewhere,
plots now properly support custom data names in the legend, the LM optimizer failing
to run on GPUs or when the starting value of a parameter is outside the min/max range
has been fixed, a problem with the intermittent blanking of plots has also been fixed,
a number of defaults have been changed to be more reasonable, and a number of other
issues in the documentation have been corrected and/or updated.

Pull Request Changes

Documentation Changes

Build System Changes

  • Fix Sphinx some of the warnings during build process @smk78 #2288

New Models

The following models have been added to the Model Marketplace since v5.0.5 was released:

  • Pringle-Schmidt Helices (documentation update)
  • Lamellar Slab Partition Constant

Known Issues

Feb 13, 2023: The Development Team is aware of a (so far isolated) instance of
v5.0.6rc1 failing to run on MacOS 13.1 (Ventura). For some reason during installation
~.sasview\config\custom_config.py was created as a folder and not as a file.
Should you experience this, delete the custom_config.py folder and replace it with a
copy of the file https://github.com/SasView/sasview/blob/release_5.0.6/src/sas/sasview/custom_config.py

All the known bugs/feature requests can be found in the issues on github.
Note the sasmodels issues are now separate from the sasview issues (i.e. different repositories)

Full Changelog: v5.0.5...v5.0.6rc1

SasView 5.0.5

03 Jun 04:51
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Downloads

Windows installer
MacOS installer
Linux & MacOS from source

New in Version 5.0.5

This is a point release which fixes some issues reported in earlier versions
of 5.0.x. A few highlights are:

  • The long standing issue with the Levenberg-Marquardt optimiser not respecting
    parameter bounds has been resolved by the move to a later version of
    the Bumps package.
  • A bug which prevented the radius_effective parameter from being updated
    in $P(Q)*S(Q)$ models when the data were resolution smeared has been fixed.
  • A bug that prevented the formation of composite mixture models with multiplicity
    (for example, models such as core_multi_shell*hardsphere + cylinder or
    core_multi_shell@hardsphere + cylinder) has been fixed.
  • The button to reset the selected Q-limits for fitting now works again!
  • There has been a technical change to the point in the calculation at which the
    volume normalisation of $P(Q)*S(Q)$ models is applied by the move to a later
    version of the Sasmodels package. This change was actually incorporated into
    v5.0.4 but due to an oversight was omitted from the release notes at the time,
    although a note was added to the web version after the release. In most
    instances this change will go un-noticed unless you happen to be plotting the
    individual contributions of $P(Q)$ or $S(Q)$ and comparing them with similar
    calculations performed in versions of SasView before v5.0.4, at which point the
    scaling of the functions will be seen to be different.

There are also some new features in this version. Most notably:

  • The Generic Scattering Calculator Tool has been overhauled and its
    capabilities significantly expanded. In particular, it will now perform
    magnetic/polarised SANS computations. As part of this upgrade, coordinate data
    in some VTK formats are now also supported.
  • The data loaders have also been improved. SasView will now read CanSAS1D XML
    data files with multiple <SASdata> blocks in a single <SASentry>. And, by
    popular demand, 1D data can now be saved in CSV format. SESANS data files
    with the extension .sesans are now also recognised.
  • A Boucher-type interfacial profile function has been added to the spherical_sld model.

This version of SasView is built with Sasmodels 1.0.6 and Bumps 0.9.0.

Pull Request Changes

Documentation Changes

Build System Changes

The full sasview and sasmodels changelogs, respectively, are available at:

New Models

The following models have been added to the Model Marketplace since v5.0.4 was released:

  • Magnetic Whirl
  • Maier-Saupe distribution
  • Cyclic Gaussian distribution
  • Superball Model - Neither Sphere nor Cube
  • OrientedMagneticChains

Known Issues

Update Oct 18. 2022: This version fails to launch on MacOS when no previous
versions of SasView are present on the system. To fix the issue, create an empty file
named custom_config.py in the ~/.sasview/config directory within your user directory.

Update Sep 1, 2022: We have become aware of an issue with the new
Levenberg-Marquardt (LM) optimiser when you are fitting with a GPU
enabled: if the model you are fitting uses C subroutines then nothing happens!
If you are only using the CPU, or if the model you are fitting is a pure Python model,
then the optimiser still works. If you need to use a GPU for your fitting then the
workaround is simply to select a different optimiser (Fitting > Fit Algorithms).

The ‘rpa’ (Random Phase Approximation, for polymer scattering) model has been
temporarily withdra...

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SasView 5.0.5rc2

20 Jan 08:35
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SasView 5.0.5rc2 Pre-release
Pre-release

SasView 5.0.5 release candidate (rc2)

Downloads

Windows
MacOS

What's Changed

New Contributors

Full Changelog: v5.0.4...v5.0.5rc2

SasView 5.0.5rc1

14 Dec 21:12
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SasView 5.0.5rc1 Pre-release
Pre-release

SasView 5.0.5 release candidate (rc1)

Downloads

Windows
MacOS

What's Changed

New Contributors

Full Changelog: v5.0.4...v5.0.5rc1

SasView 5.0.4

27 Jan 09:35
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Downloads

Windows
MacOS
Linux

New in Version 5.0.4

NB: Mac users: Please ensure you have the Xcode command line tools installed before installing SasView; get it from the App Store. Note: this version of SasView has a minimum dependency of MacOS 10.15. However, it can be made to run on 10.13, for example. See Known Issues below.

This is a point release which fixes some issues reported in earlier versions of 5.0.x:

  • A bug that had been around since 4.2.2 and which prevented Batch Fitting from using any dI values in the data file has finally been fixed. The consequence of this bug was that Single Fits and Batch Fits on the same datasets could return different parameters. Now, where present, dI values will always be used by default in both cases.

  • The bug introduced in 5.0.3 which prevented the plotting of Batch Fit results has also been fixed.

  • An issue with the behaviour of the 1D pinhole resolution smearing routine in cases of large divergence has been addressed.

  • A number of improvements have been made to plotting and plot management.

  • Several usability issues in the P(r) Inversion and Invariant Analysis perspectives have been addressed. Improvements have also been made to the functioning of Project Save/Load.

There are also some new features in this version:

  • Though not strictly a new feature, the functionality and operation of parameter constraints has been significantly overhauled for this version.

  • The slicer functionality has been significantly overhauled and made to work properly.

  • The slider bars on plots for selecting the q-range for fitting that featured in earlier versions of SasView have been re-introduced by popular request, although they do not yet work on linearized plots.

  • It is now possible to swap the dataset used to create an existing FitPage for a different dataset. This removes the need to re-generate a complex model (eg, featuring many parameters and/or constraints) many times over to use it to fit several datasets.

  • It is now also possible to assign custom names to loaded datasets, rather than just identifying the data by its filename. Right-click on a dataset in the Data Explorer to activate.

New features/improvements

sasview #1725: Horizontal line at y=0 needed in P(r) plots
sasview #1702: Allow for a choice of how data is named in the Data Explorer
sasview #1699: Allow check/uncheck of sub-selected data in Data Explorer
sasview #1676: Checkbox of highlighted row is checked also when clicking another checkbox
sasview #1303: CanSAS XML Reader refactor
sasmodels #443: Update to polydispersity.rst
sasmodels #429: Create model for superparamagnetic relaxing particles
sasmodels #390: Re-describe Source intensity in model parameter tables
sasmodels #253: use new orientation for magnetic models (Trac #910)

Bug fixes

Fixes sasview #1796: Batch Fitting does not respect Q-range for fitting
Fixes sasview #1795: Display of batch fitting results is broken in 5.0.4
Fixes sasview #1794: Batch fitting in 5.x returns different parameters to single fits in 5.x
Fixes sasview #1782: RgQmax and RgQmin are inverted in the Gunier linear fit
Fixes sasview #1776: Slicers Using Masked Data Points in Calculation
Fixes sasview #1754: Delete Data does not remove data or plots from Fitting, P(r) or Inversion
Fixes sasview #1738: Conflicting definition of displayData()
Fixes sasview #1711: sasview 5, Q resolution smearing issues with broad_peak model
Fixes sasview #1710: sasview fails to open .h5 files using h5py 3.1
Fixes sasview #1701: Issue with slashes in data titles in CanSAS1D (and probably NXcanSAS)
Fixes sasview #1698: Provide P(Q) separately when fitting
Fixes sasview #1696: Failure in getSymbolDict on selecting parameters for constraints
Fixes sasview #1681: Generic Scattering Calculator produces empty 2D map on sld file
Fixes sasview #1674: Reloading a project in the same session duplicates the model/residuals in the Data Explorer
Fixes sasview #1671: pdh data loader bug in 4.x and ESS_GUI 5.x
Fixes sasview #1657: Loading project without fit_params entry causes empty fit window (v5.0.3)
Fixes sasview #1655: Corfunc and Invariant Perspectives not able to remove/swap data (5.x)
Fixes sasview #1654: 5.0.4 disable rather than remove constraints if do a fit on a single FitPage
Fixes sasview #1653: 5.0.4 new constraints checks over zealous on load project
Fixes sasview #1649: 4.x/5.x: Slicer Parameters control only appears in context menu once you have sliced
Fixes sasview #1648: 5.0.3 not updating radius_effective in GUI
Fixes sasview #1647: 4.x/5.x: Sector slicer tool Q plot could do with better resolution
Fixes sasview #1646: 4.x/5.x: Annulus slicer tool phi plot could do with better resolution
Fixes sasview #1640: Linux: SasView >5.0.1 binary cannot copy default custom_config.py
Fixes sasview #1616: ESS_GUI: Model label on plot keeps being reset
Fixes sasview #1611: Inconsistent behaviour of extrapolation Fit/Fix radio buttons in Invariant Perspective
Fixes sasview #1610: Chart in Invariant Perspective Status Dialog not displaying the low-Q contribution to Q*
Fixes sasview #1609: Changing Q-range limits in Invariant Perspective has no effect on extrapolations
Fixes sasview #1608: No Q-limit bars in Invariant Perspective
Fixes sasview #1607: Once extrapolation is turned on in the invariant it cannot be turned off
Fixes sasview #1606: Invariant does not report the total invariant
Fixes sasview #1605: Problem loading canSAS data into Invariant
Fixes sasview #1604: The Invariant low Q extrapolation choice is not honored
Fixes sasview #1600: v5 constrained value within single FitPage not being returned to gui
Fixes sasview #1589: 5.0 turn off or remove constraint ?
Fixes sasview #1583: calc.py throws erros after building SasView
Fixes sasview #1574: Invariant perspective fixes need to be ported to 5.x
Fixes sasview #1566: Default Checkboxes in data manager need changing
Fixes sasview #1557: GUI losing track of fitpage and plot associations
Fixes sasview #1547: Resolution is incorrectly handled in 5.x
Fixes sasview #1544: Need to examine 2D data pixel sizes
Fixes sasview #1542: Crosstalk between Corfunc and Invariant perspectives
Fixes sasview #1541: Invariant and the infinite multiplication of plots
Fixes sasview #1539: Corfunc requires two shots to populate the data name box
Fixes sasview #1537: Allow for replacing data in a Fit Page
Fixes sasview #1535: ESS_GUI: Existing common parameters not preserved between models in 5.x
Fixes sasview #1534: ESS_GUI: Something strange with 5.x and the .sasview folder
Fixes sasview #1532: Add a constraint checking mechanism
Fixes sasview #1526: Project Save/Load functionality of 4.x needs to be restored
Fixes sasview #1478: v5 & v4 TEst that P(Q)S(Q) plugin works
Fixes sasview #1472: Sort out the Invariant Perspective & Documentation (#1434 & #1461)
Fixes sasview #1469: 2D tools
Fixes sasview #1453: 5.1 gui initialisation issue for Onion model
Fixes sasview #1446: 5.0 dI uncertainty unavailable in batch mode
Fixes sasview #1408: Magnetic model documentation is inconsistent with code
Fixes sasview #1381: Slicer in 5.0 doesn't contain the batch, fitting, log/linear etc features
Fixes sasview #1340: 5.0 invariant mac not plotting
Fixes sasview #1243: Display title rather than filename in data browser (Trac #1213)
Fixes sasview #1137: Verify and document up_frac_i and up_frac_f calculations for magnetic models (Trac #1086)
Fixes sasview #863: Make it easier to use the same fit set-up with different data sets (Trac #747)
Fixes sasmodels #367: Correlation length model documentation is wrong
Fixes sasmodels #210: Show all failing tests rather than stopping at the first

New Models

The following models have been added to the Model Marketplace since v5.0.0 was released:

Magnetic vortex in a disc
Field-dependent magnetic SANS of misaligned magnetic moments in bulk ferromagnets
SANS of bulk ferromagnets
Core_shell_ellipsoid_tied and core_shell_ellipsoid_repar
Lamellar_Slab_APL_nW
5 Layer Core Shell Disc
Superparamagnetic Core-Shell Spheres with 3D field orientation
Superparamagnetic Core-Shell Spheres
Octahedron
Magnetically oriented, rotating and precessing anisometric particle (MORP)
Cumulants
Cumulants DLS
Peak Voigt
Long Cylinder
Sphere Concentration A
Binary Blend
Exponential
2 Layer General Guinier Porod
Core double shell sphere filled with many cylinders in the core
Fractal S(q)
Mass Fractal S(q)
Core shell cuboid
Core shell sphere filled with a cylinder in the core
Correlated_spheres

Known Issues

It has come to our attention that some Mac users get a dialogue box saying “SasView5.app” is damaged and can’t be opened. You should move it to the Trash when they try and install 5.0.4. This seems to affect machines running MacOS earlier than 10.15. However, we have found that it is possible to install SasView on 10.13, for example, by clearing the extended attributes on the package by executing the command:
xattr -cr /Applications/SasView5.app

At this time, the reinstated slider bars on plots for selecting the q-range for fitting do not work on linearized plots.

The button for resetting the Q-range for fitting to the data limits (FitPage > Fit Options > Fitting Range) is also not working.

All the known bugs/feature requests can be found in the issues on github. Note the sasmodels issues are now separate from the sasview issues (i.e. different repositories)

[sasview...

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